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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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/Corn2-89bd1275/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: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1615.316444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.316444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.316444 (E_RNA)
where:
Base-Base interactions energy: -1144.982
where: short stacking energy: -462.115
Base-Backbone interact. energy: -2.578
local terms energy: -467.756088
where:
bonds (distance) C4'-P energy: -87.795
bonds (distance) P-C4' energy: -86.246
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -69.887
tors. eta vs tors. theta energy: -123.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1530.733205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.733205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.733205 (E_RNA)
where:
Base-Base interactions energy: -1060.398
where: short stacking energy: -460.629
Base-Backbone interact. energy: -2.051
local terms energy: -468.284330
where:
bonds (distance) C4'-P energy: -86.032
bonds (distance) P-C4' energy: -89.523
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -68.933
tors. eta vs tors. theta energy: -122.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1651.476322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.476322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.476322 (E_RNA)
where:
Base-Base interactions energy: -1164.548
where: short stacking energy: -466.611
Base-Backbone interact. energy: -0.759
local terms energy: -486.169082
where:
bonds (distance) C4'-P energy: -93.508
bonds (distance) P-C4' energy: -90.516
flat angles C4'-P-C4' energy: -111.358
flat angles P-C4'-P energy: -72.126
tors. eta vs tors. theta energy: -118.661
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1564.364258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.364258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.364258 (E_RNA)
where:
Base-Base interactions energy: -1084.224
where: short stacking energy: -459.481
Base-Backbone interact. energy: -1.251
local terms energy: -478.889216
where:
bonds (distance) C4'-P energy: -89.236
bonds (distance) P-C4' energy: -98.242
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -64.677
tors. eta vs tors. theta energy: -123.444
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1469.884121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.884121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.884121 (E_RNA)
where:
Base-Base interactions energy: -1027.135
where: short stacking energy: -428.134
Base-Backbone interact. energy: -0.433
local terms energy: -442.316854
where:
bonds (distance) C4'-P energy: -85.196
bonds (distance) P-C4' energy: -89.300
flat angles C4'-P-C4' energy: -98.729
flat angles P-C4'-P energy: -67.545
tors. eta vs tors. theta energy: -101.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1737.796355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.796355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.796355 (E_RNA)
where:
Base-Base interactions energy: -1230.287
where: short stacking energy: -504.957
Base-Backbone interact. energy: -3.882
local terms energy: -503.626600
where:
bonds (distance) C4'-P energy: -110.154
bonds (distance) P-C4' energy: -95.635
flat angles C4'-P-C4' energy: -107.256
flat angles P-C4'-P energy: -66.827
tors. eta vs tors. theta energy: -123.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1685.205644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.205644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.205644 (E_RNA)
where:
Base-Base interactions energy: -1172.161
where: short stacking energy: -485.859
Base-Backbone interact. energy: -0.699
local terms energy: -512.345364
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -96.840
flat angles C4'-P-C4' energy: -117.611
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -131.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1643.842867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.842867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.842867 (E_RNA)
where:
Base-Base interactions energy: -1143.264
where: short stacking energy: -457.910
Base-Backbone interact. energy: -3.672
local terms energy: -496.907599
where:
bonds (distance) C4'-P energy: -84.372
bonds (distance) P-C4' energy: -102.459
flat angles C4'-P-C4' energy: -108.637
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -128.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1553.537334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.537334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.537334 (E_RNA)
where:
Base-Base interactions energy: -1090.059
where: short stacking energy: -477.337
Base-Backbone interact. energy: -0.450
local terms energy: -463.028853
where:
bonds (distance) C4'-P energy: -69.544
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -98.936
flat angles P-C4'-P energy: -68.095
tors. eta vs tors. theta energy: -126.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1364.334342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.334342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.334342 (E_RNA)
where:
Base-Base interactions energy: -942.804
where: short stacking energy: -381.446
Base-Backbone interact. energy: -3.120
local terms energy: -418.410329
where:
bonds (distance) C4'-P energy: -92.594
bonds (distance) P-C4' energy: -94.555
flat angles C4'-P-C4' energy: -83.576
flat angles P-C4'-P energy: -61.941
tors. eta vs tors. theta energy: -85.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1132.754959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.754959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.754959 (E_RNA)
where:
Base-Base interactions energy: -762.983
where: short stacking energy: -322.933
Base-Backbone interact. energy: -2.078
local terms energy: -367.694716
where:
bonds (distance) C4'-P energy: -71.394
bonds (distance) P-C4' energy: -73.461
flat angles C4'-P-C4' energy: -89.465
flat angles P-C4'-P energy: -61.581
tors. eta vs tors. theta energy: -71.794
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: 10
Temperature: 1.350000
Total energy: -1081.831293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.831293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.831293 (E_RNA)
where:
Base-Base interactions energy: -718.978
where: short stacking energy: -288.522
Base-Backbone interact. energy: 3.140
local terms energy: -365.993753
where:
bonds (distance) C4'-P energy: -83.281
bonds (distance) P-C4' energy: -100.843
flat angles C4'-P-C4' energy: -69.254
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -64.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1716.790531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.790531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.790531 (E_RNA)
where:
Base-Base interactions energy: -1208.493
where: short stacking energy: -492.571
Base-Backbone interact. energy: -4.479
local terms energy: -503.818515
where:
bonds (distance) C4'-P energy: -87.159
bonds (distance) P-C4' energy: -102.541
flat angles C4'-P-C4' energy: -113.224
flat angles P-C4'-P energy: -72.911
tors. eta vs tors. theta energy: -127.984
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1686.440578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.440578 (E_RNA)
where:
Base-Base interactions energy: -1184.042
where: short stacking energy: -481.417
Base-Backbone interact. energy: -2.054
local terms energy: -500.344197
where:
bonds (distance) C4'-P energy: -84.141
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -105.826
flat angles P-C4'-P energy: -79.268
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: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1623.925930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.925930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.925930 (E_RNA)
where:
Base-Base interactions energy: -1147.522
where: short stacking energy: -454.331
Base-Backbone interact. energy: 0.554
local terms energy: -476.958780
where:
bonds (distance) C4'-P energy: -88.796
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -126.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1520.229596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.229596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.229596 (E_RNA)
where:
Base-Base interactions energy: -1075.123
where: short stacking energy: -445.953
Base-Backbone interact. energy: -1.817
local terms energy: -443.288712
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -90.809
flat angles C4'-P-C4' energy: -96.492
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: -114.737
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: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1295.890717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.890717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.890717 (E_RNA)
where:
Base-Base interactions energy: -895.889
where: short stacking energy: -377.087
Base-Backbone interact. energy: -2.155
local terms energy: -397.846121
where:
bonds (distance) C4'-P energy: -87.335
bonds (distance) P-C4' energy: -77.361
flat angles C4'-P-C4' energy: -92.684
flat angles P-C4'-P energy: -59.152
tors. eta vs tors. theta energy: -81.315
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: 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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1197.940362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.940362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.940362 (E_RNA)
where:
Base-Base interactions energy: -818.236
where: short stacking energy: -339.357
Base-Backbone interact. energy: -2.470
local terms energy: -377.233863
where:
bonds (distance) C4'-P energy: -60.624
bonds (distance) P-C4' energy: -96.922
flat angles C4'-P-C4' energy: -82.776
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -83.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1122.970277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.970277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.970277 (E_RNA)
where:
Base-Base interactions energy: -759.414
where: short stacking energy: -319.679
Base-Backbone interact. energy: -1.530
local terms energy: -362.025657
where:
bonds (distance) C4'-P energy: -71.295
bonds (distance) P-C4' energy: -82.251
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -51.205
tors. eta vs tors. theta energy: -73.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1727.239701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.239701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.239701 (E_RNA)
where:
Base-Base interactions energy: -1227.838
where: short stacking energy: -510.580
Base-Backbone interact. energy: 6.781
local terms energy: -506.183240
where:
bonds (distance) C4'-P energy: -93.574
bonds (distance) P-C4' energy: -92.567
flat angles C4'-P-C4' energy: -116.936
flat angles P-C4'-P energy: -67.989
tors. eta vs tors. theta energy: -135.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1735.774800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.774800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.774800 (E_RNA)
where:
Base-Base interactions energy: -1236.832
where: short stacking energy: -497.884
Base-Backbone interact. energy: -4.699
local terms energy: -494.243250
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -95.112
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -68.241
tors. eta vs tors. theta energy: -132.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1654.876416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.876416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.876416 (E_RNA)
where:
Base-Base interactions energy: -1155.734
where: short stacking energy: -463.393
Base-Backbone interact. energy: -4.470
local terms energy: -494.672509
where:
bonds (distance) C4'-P energy: -89.045
bonds (distance) P-C4' energy: -97.346
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -76.643
tors. eta vs tors. theta energy: -131.295
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: 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: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1535.518248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.518248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.518248 (E_RNA)
where:
Base-Base interactions energy: -1080.455
where: short stacking energy: -456.183
Base-Backbone interact. energy: 0.569
local terms energy: -455.632842
where:
bonds (distance) C4'-P energy: -82.236
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -98.832
flat angles P-C4'-P energy: -68.899
tors. eta vs tors. theta energy: -123.671
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: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1313.662926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.662926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.662926 (E_RNA)
where:
Base-Base interactions energy: -887.849
where: short stacking energy: -383.753
Base-Backbone interact. energy: 3.871
local terms energy: -429.685026
where:
bonds (distance) C4'-P energy: -80.232
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -64.144
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1204.853770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.853770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.853770 (E_RNA)
where:
Base-Base interactions energy: -821.766
where: short stacking energy: -351.507
Base-Backbone interact. energy: 0.887
local terms energy: -383.974850
where:
bonds (distance) C4'-P energy: -76.552
bonds (distance) P-C4' energy: -81.657
flat angles C4'-P-C4' energy: -92.584
flat angles P-C4'-P energy: -60.822
tors. eta vs tors. theta energy: -72.361
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: 12
Temperature: 1.350000
Total energy: -1050.756915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.756915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.756915 (E_RNA)
where:
Base-Base interactions energy: -683.381
where: short stacking energy: -292.018
Base-Backbone interact. energy: -0.953
local terms energy: -366.422563
where:
bonds (distance) C4'-P energy: -71.629
bonds (distance) P-C4' energy: -91.568
flat angles C4'-P-C4' energy: -79.024
flat angles P-C4'-P energy: -59.863
tors. eta vs tors. theta energy: -64.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1743.551325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.551325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.551325 (E_RNA)
where:
Base-Base interactions energy: -1230.651
where: short stacking energy: -509.973
Base-Backbone interact. energy: -4.226
local terms energy: -508.674157
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -113.765
flat angles P-C4'-P energy: -78.311
tors. eta vs tors. theta energy: -134.820
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: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1718.237705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.237705 (E_RNA)
where:
Base-Base interactions energy: -1207.542
where: short stacking energy: -480.406
Base-Backbone interact. energy: 0.953
local terms energy: -511.648156
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -99.117
flat angles C4'-P-C4' energy: -105.912
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -131.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1630.109864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.109864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.109864 (E_RNA)
where:
Base-Base interactions energy: -1153.197
where: short stacking energy: -459.119
Base-Backbone interact. energy: -2.859
local terms energy: -474.054019
where:
bonds (distance) C4'-P energy: -80.593
bonds (distance) P-C4' energy: -88.903
flat angles C4'-P-C4' energy: -112.502
flat angles P-C4'-P energy: -68.955
tors. eta vs tors. theta energy: -123.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1613.620705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.620705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.620705 (E_RNA)
where:
Base-Base interactions energy: -1141.024
where: short stacking energy: -472.189
Base-Backbone interact. energy: -5.096
local terms energy: -467.500257
where:
bonds (distance) C4'-P energy: -70.533
bonds (distance) P-C4' energy: -96.205
flat angles C4'-P-C4' energy: -102.246
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -126.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1537.545240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.545240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.545240 (E_RNA)
where:
Base-Base interactions energy: -1054.573
where: short stacking energy: -421.744
Base-Backbone interact. energy: -1.054
local terms energy: -481.918924
where:
bonds (distance) C4'-P energy: -93.360
bonds (distance) P-C4' energy: -95.232
flat angles C4'-P-C4' energy: -94.254
flat angles P-C4'-P energy: -81.242
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: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1383.042325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.042325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.042325 (E_RNA)
where:
Base-Base interactions energy: -998.470
where: short stacking energy: -391.329
Base-Backbone interact. energy: -1.361
local terms energy: -383.210660
where:
bonds (distance) C4'-P energy: -86.058
bonds (distance) P-C4' energy: -72.324
flat angles C4'-P-C4' energy: -71.026
flat angles P-C4'-P energy: -51.754
tors. eta vs tors. theta energy: -102.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1345.833898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.833898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.833898 (E_RNA)
where:
Base-Base interactions energy: -946.735
where: short stacking energy: -386.675
Base-Backbone interact. energy: 3.755
local terms energy: -402.853725
where:
bonds (distance) C4'-P energy: -78.841
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -91.162
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -96.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1204.014902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.014902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.014902 (E_RNA)
where:
Base-Base interactions energy: -831.774
where: short stacking energy: -346.282
Base-Backbone interact. energy: -2.977
local terms energy: -369.263076
where:
bonds (distance) C4'-P energy: -70.900
bonds (distance) P-C4' energy: -82.173
flat angles C4'-P-C4' energy: -86.627
flat angles P-C4'-P energy: -47.647
tors. eta vs tors. theta energy: -81.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1008.516275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.516275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.516275 (E_RNA)
where:
Base-Base interactions energy: -663.127
where: short stacking energy: -271.982
Base-Backbone interact. energy: 0.584
local terms energy: -345.972849
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -54.449
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1726.718904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.718904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.718904 (E_RNA)
where:
Base-Base interactions energy: -1186.448
where: short stacking energy: -483.878
Base-Backbone interact. energy: -2.363
local terms energy: -537.908728
where:
bonds (distance) C4'-P energy: -104.473
bonds (distance) P-C4' energy: -107.216
flat angles C4'-P-C4' energy: -109.642
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -139.860
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: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1715.896847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.896847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.896847 (E_RNA)
where:
Base-Base interactions energy: -1215.675
where: short stacking energy: -500.272
Base-Backbone interact. energy: -3.560
local terms energy: -496.661912
where:
bonds (distance) C4'-P energy: -97.659
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -107.540
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -133.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1669.507136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.507136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.507136 (E_RNA)
where:
Base-Base interactions energy: -1197.181
where: short stacking energy: -500.500
Base-Backbone interact. energy: -2.027
local terms energy: -470.299117
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -89.492
flat angles C4'-P-C4' energy: -98.542
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -138.068
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: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1618.801772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.801772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.801772 (E_RNA)
where:
Base-Base interactions energy: -1150.238
where: short stacking energy: -463.146
Base-Backbone interact. energy: -1.960
local terms energy: -466.603366
where:
bonds (distance) C4'-P energy: -90.833
bonds (distance) P-C4' energy: -91.407
flat angles C4'-P-C4' energy: -96.265
flat angles P-C4'-P energy: -68.899
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1465.272419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.272419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.272419 (E_RNA)
where:
Base-Base interactions energy: -1014.219
where: short stacking energy: -423.977
Base-Backbone interact. energy: -0.784
local terms energy: -450.269814
where:
bonds (distance) C4'-P energy: -93.799
bonds (distance) P-C4' energy: -78.423
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: -101.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1435.271953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.271953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.271953 (E_RNA)
where:
Base-Base interactions energy: -1002.132
where: short stacking energy: -417.622
Base-Backbone interact. energy: -0.319
local terms energy: -432.821797
where:
bonds (distance) C4'-P energy: -97.477
bonds (distance) P-C4' energy: -82.367
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -104.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1358.397407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.397407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.397407 (E_RNA)
where:
Base-Base interactions energy: -930.912
where: short stacking energy: -386.001
Base-Backbone interact. energy: -4.030
local terms energy: -423.454851
where:
bonds (distance) C4'-P energy: -82.185
bonds (distance) P-C4' energy: -91.017
flat angles C4'-P-C4' energy: -86.325
flat angles P-C4'-P energy: -65.271
tors. eta vs tors. theta energy: -98.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 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: -1226.768540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.768540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.768540 (E_RNA)
where:
Base-Base interactions energy: -854.599
where: short stacking energy: -340.112
Base-Backbone interact. energy: 6.530
local terms energy: -378.698971
where:
bonds (distance) C4'-P energy: -74.526
bonds (distance) P-C4' energy: -71.744
flat angles C4'-P-C4' energy: -90.816
flat angles P-C4'-P energy: -53.443
tors. eta vs tors. theta energy: -88.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1009.139152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.139152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.139152 (E_RNA)
where:
Base-Base interactions energy: -657.569
where: short stacking energy: -287.462
Base-Backbone interact. energy: 0.332
local terms energy: -351.901999
where:
bonds (distance) C4'-P energy: -71.978
bonds (distance) P-C4' energy: -89.064
flat angles C4'-P-C4' energy: -86.056
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: -56.248
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1720.978249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.978249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.978249 (E_RNA)
where:
Base-Base interactions energy: -1210.405
where: short stacking energy: -482.804
Base-Backbone interact. energy: -0.463
local terms energy: -510.110227
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -102.633
flat angles C4'-P-C4' energy: -113.537
flat angles P-C4'-P energy: -73.173
tors. eta vs tors. theta energy: -127.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1721.939882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.939882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.939882 (E_RNA)
where:
Base-Base interactions energy: -1214.838
where: short stacking energy: -495.776
Base-Backbone interact. energy: -1.741
local terms energy: -505.360755
where:
bonds (distance) C4'-P energy: -92.733
bonds (distance) P-C4' energy: -110.029
flat angles C4'-P-C4' energy: -104.311
flat angles P-C4'-P energy: -71.002
tors. eta vs tors. theta energy: -127.287
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: 15
Temperature: 1.000000
Total energy: -1720.925874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.925874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.925874 (E_RNA)
where:
Base-Base interactions energy: -1253.732
where: short stacking energy: -492.119
Base-Backbone interact. energy: -2.333
local terms energy: -464.861313
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -84.629
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -63.022
tors. eta vs tors. theta energy: -124.741
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: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1624.736837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.736837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.736837 (E_RNA)
where:
Base-Base interactions energy: -1154.422
where: short stacking energy: -465.174
Base-Backbone interact. energy: 7.305
local terms energy: -477.620309
where:
bonds (distance) C4'-P energy: -86.186
bonds (distance) P-C4' energy: -96.975
flat angles C4'-P-C4' energy: -95.669
flat angles P-C4'-P energy: -79.133
tors. eta vs tors. theta energy: -119.657
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: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1470.264192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.264192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.264192 (E_RNA)
where:
Base-Base interactions energy: -1047.131
where: short stacking energy: -447.709
Base-Backbone interact. energy: 0.656
local terms energy: -423.789016
where:
bonds (distance) C4'-P energy: -79.968
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -98.509
flat angles P-C4'-P energy: -59.459
tors. eta vs tors. theta energy: -119.186
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: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1359.912098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.912098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.912098 (E_RNA)
where:
Base-Base interactions energy: -936.870
where: short stacking energy: -409.733
Base-Backbone interact. energy: 0.920
local terms energy: -423.961664
where:
bonds (distance) C4'-P energy: -85.599
bonds (distance) P-C4' energy: -83.538
flat angles C4'-P-C4' energy: -94.077
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -98.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1379.906203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.906203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.906203 (E_RNA)
where:
Base-Base interactions energy: -990.102
where: short stacking energy: -414.946
Base-Backbone interact. energy: -1.340
local terms energy: -388.464168
where:
bonds (distance) C4'-P energy: -71.699
bonds (distance) P-C4' energy: -66.087
flat angles C4'-P-C4' energy: -85.557
flat angles P-C4'-P energy: -60.382
tors. eta vs tors. theta energy: -104.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1174.391248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.391248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.391248 (E_RNA)
where:
Base-Base interactions energy: -793.574
where: short stacking energy: -326.243
Base-Backbone interact. energy: -1.929
local terms energy: -378.888793
where:
bonds (distance) C4'-P energy: -82.616
bonds (distance) P-C4' energy: -81.654
flat angles C4'-P-C4' energy: -90.543
flat angles P-C4'-P energy: -55.380
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: 15
Temperature: 1.350000
Total energy: -987.437032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.437032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.437032 (E_RNA)
where:
Base-Base interactions energy: -639.784
where: short stacking energy: -282.813
Base-Backbone interact. energy: -4.422
local terms energy: -343.230564
where:
bonds (distance) C4'-P energy: -66.934
bonds (distance) P-C4' energy: -84.890
flat angles C4'-P-C4' energy: -81.027
flat angles P-C4'-P energy: -50.273
tors. eta vs tors. theta energy: -60.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1778.054231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.054231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.054231 (E_RNA)
where:
Base-Base interactions energy: -1254.719
where: short stacking energy: -521.021
Base-Backbone interact. energy: 1.842
local terms energy: -525.178165
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -115.288
flat angles P-C4'-P energy: -74.520
tors. eta vs tors. theta energy: -144.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1689.567716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.567716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.567716 (E_RNA)
where:
Base-Base interactions energy: -1198.791
where: short stacking energy: -467.881
Base-Backbone interact. energy: 1.187
local terms energy: -491.963577
where:
bonds (distance) C4'-P energy: -81.495
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -70.506
tors. eta vs tors. theta energy: -124.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1740.889088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.889088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.889088 (E_RNA)
where:
Base-Base interactions energy: -1246.924
where: short stacking energy: -512.305
Base-Backbone interact. energy: 4.203
local terms energy: -498.167958
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -85.693
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -75.028
tors. eta vs tors. theta energy: -131.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1631.188417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.188417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.188417 (E_RNA)
where:
Base-Base interactions energy: -1130.062
where: short stacking energy: -461.981
Base-Backbone interact. energy: -2.999
local terms energy: -498.128305
where:
bonds (distance) C4'-P energy: -97.759
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -110.605
flat angles P-C4'-P energy: -71.882
tors. eta vs tors. theta energy: -121.440
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: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1467.073841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.073841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.073841 (E_RNA)
where:
Base-Base interactions energy: -991.584
where: short stacking energy: -432.336
Base-Backbone interact. energy: 1.396
local terms energy: -476.886431
where:
bonds (distance) C4'-P energy: -88.781
bonds (distance) P-C4' energy: -93.668
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -125.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1367.417918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.417918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.417918 (E_RNA)
where:
Base-Base interactions energy: -916.980
where: short stacking energy: -400.924
Base-Backbone interact. energy: 0.971
local terms energy: -451.408402
where:
bonds (distance) C4'-P energy: -84.670
bonds (distance) P-C4' energy: -93.308
flat angles C4'-P-C4' energy: -102.307
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -105.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1381.685217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.685217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.685217 (E_RNA)
where:
Base-Base interactions energy: -953.685
where: short stacking energy: -391.193
Base-Backbone interact. energy: 0.002
local terms energy: -428.001889
where:
bonds (distance) C4'-P energy: -94.727
bonds (distance) P-C4' energy: -82.027
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -103.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1206.694265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.694265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.694265 (E_RNA)
where:
Base-Base interactions energy: -813.519
where: short stacking energy: -345.050
Base-Backbone interact. energy: 1.551
local terms energy: -394.726841
where:
bonds (distance) C4'-P energy: -80.118
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -43.397
tors. eta vs tors. theta energy: -92.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1010.082415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.082415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.082415 (E_RNA)
where:
Base-Base interactions energy: -686.793
where: short stacking energy: -275.061
Base-Backbone interact. energy: 6.713
local terms energy: -330.002743
where:
bonds (distance) C4'-P energy: -75.143
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -80.212
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -41.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1804.339536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.339536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.339536 (E_RNA)
where:
Base-Base interactions energy: -1278.757
where: short stacking energy: -518.677
Base-Backbone interact. energy: -2.352
local terms energy: -523.230386
where:
bonds (distance) C4'-P energy: -91.830
bonds (distance) P-C4' energy: -96.607
flat angles C4'-P-C4' energy: -107.887
flat angles P-C4'-P energy: -86.769
tors. eta vs tors. theta energy: -140.137
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1702.825271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.825271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.825271 (E_RNA)
where:
Base-Base interactions energy: -1194.040
where: short stacking energy: -496.157
Base-Backbone interact. energy: 0.090
local terms energy: -508.875240
where:
bonds (distance) C4'-P energy: -89.599
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -70.398
tors. eta vs tors. theta energy: -135.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1727.319034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.319034 (E_RNA)
where:
Base-Base interactions energy: -1239.468
where: short stacking energy: -490.276
Base-Backbone interact. energy: -2.406
local terms energy: -485.445093
where:
bonds (distance) C4'-P energy: -95.739
bonds (distance) P-C4' energy: -95.820
flat angles C4'-P-C4' energy: -106.300
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -135.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1632.248706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.248706 (E_RNA)
where:
Base-Base interactions energy: -1138.051
where: short stacking energy: -464.115
Base-Backbone interact. energy: -4.170
local terms energy: -490.026911
where:
bonds (distance) C4'-P energy: -92.793
bonds (distance) P-C4' energy: -88.661
flat angles C4'-P-C4' energy: -112.965
flat angles P-C4'-P energy: -69.403
tors. eta vs tors. theta energy: -126.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1469.317631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.317631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.317631 (E_RNA)
where:
Base-Base interactions energy: -1005.727
where: short stacking energy: -432.951
Base-Backbone interact. energy: -0.874
local terms energy: -462.717008
where:
bonds (distance) C4'-P energy: -78.676
bonds (distance) P-C4' energy: -92.686
flat angles C4'-P-C4' energy: -103.420
flat angles P-C4'-P energy: -66.001
tors. eta vs tors. theta energy: -121.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1438.872484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.872484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.872484 (E_RNA)
where:
Base-Base interactions energy: -984.075
where: short stacking energy: -409.626
Base-Backbone interact. energy: 0.568
local terms energy: -455.365080
where:
bonds (distance) C4'-P energy: -71.871
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -69.717
tors. eta vs tors. theta energy: -115.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1290.686478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.686478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.686478 (E_RNA)
where:
Base-Base interactions energy: -860.875
where: short stacking energy: -364.579
Base-Backbone interact. energy: 1.104
local terms energy: -430.915282
where:
bonds (distance) C4'-P energy: -98.099
bonds (distance) P-C4' energy: -86.241
flat angles C4'-P-C4' energy: -92.900
flat angles P-C4'-P energy: -59.282
tors. eta vs tors. theta energy: -94.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1180.825419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.825419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.825419 (E_RNA)
where:
Base-Base interactions energy: -799.690
where: short stacking energy: -351.041
Base-Backbone interact. energy: -1.016
local terms energy: -380.118648
where:
bonds (distance) C4'-P energy: -72.250
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -88.516
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: -90.219
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1005.460257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.460257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.460257 (E_RNA)
where:
Base-Base interactions energy: -669.094
where: short stacking energy: -282.400
Base-Backbone interact. energy: 4.621
local terms energy: -340.987583
where:
bonds (distance) C4'-P energy: -76.163
bonds (distance) P-C4' energy: -83.801
flat angles C4'-P-C4' energy: -82.815
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -58.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1779.636783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.636783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.636783 (E_RNA)
where:
Base-Base interactions energy: -1256.483
where: short stacking energy: -533.626
Base-Backbone interact. energy: 3.489
local terms energy: -526.642248
where:
bonds (distance) C4'-P energy: -84.830
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -116.658
flat angles P-C4'-P energy: -79.564
tors. eta vs tors. theta energy: -141.018
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1719.752084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.752084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.752084 (E_RNA)
where:
Base-Base interactions energy: -1215.029
where: short stacking energy: -498.469
Base-Backbone interact. energy: -2.402
local terms energy: -502.321177
where:
bonds (distance) C4'-P energy: -94.669
bonds (distance) P-C4' energy: -84.508
flat angles C4'-P-C4' energy: -110.010
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -134.006
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1695.899148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.899148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.899148 (E_RNA)
where:
Base-Base interactions energy: -1186.499
where: short stacking energy: -498.916
Base-Backbone interact. energy: -0.452
local terms energy: -508.947834
where:
bonds (distance) C4'-P energy: -91.224
bonds (distance) P-C4' energy: -93.306
flat angles C4'-P-C4' energy: -108.936
flat angles P-C4'-P energy: -75.124
tors. eta vs tors. theta energy: -140.358
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1702.355137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.355137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.355137 (E_RNA)
where:
Base-Base interactions energy: -1241.935
where: short stacking energy: -488.912
Base-Backbone interact. energy: 2.741
local terms energy: -463.161074
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -89.732
flat angles C4'-P-C4' energy: -92.968
flat angles P-C4'-P energy: -67.480
tors. eta vs tors. theta energy: -134.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1541.681965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.681965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.681965 (E_RNA)
where:
Base-Base interactions energy: -1073.972
where: short stacking energy: -441.704
Base-Backbone interact. energy: -1.263
local terms energy: -466.447230
where:
bonds (distance) C4'-P energy: -78.904
bonds (distance) P-C4' energy: -95.728
flat angles C4'-P-C4' energy: -91.731
flat angles P-C4'-P energy: -68.314
tors. eta vs tors. theta energy: -131.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1401.223708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.223708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.223708 (E_RNA)
where:
Base-Base interactions energy: -961.735
where: short stacking energy: -405.116
Base-Backbone interact. energy: -1.327
local terms energy: -438.161772
where:
bonds (distance) C4'-P energy: -98.600
bonds (distance) P-C4' energy: -96.909
flat angles C4'-P-C4' energy: -91.419
flat angles P-C4'-P energy: -44.720
tors. eta vs tors. theta energy: -106.513
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: 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: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1220.097443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.097443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.097443 (E_RNA)
where:
Base-Base interactions energy: -838.961
where: short stacking energy: -335.840
Base-Backbone interact. energy: -1.651
local terms energy: -379.484598
where:
bonds (distance) C4'-P energy: -78.142
bonds (distance) P-C4' energy: -78.872
flat angles C4'-P-C4' energy: -100.539
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -77.200
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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1131.241471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.241471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.241471 (E_RNA)
where:
Base-Base interactions energy: -771.672
where: short stacking energy: -311.506
Base-Backbone interact. energy: -1.108
local terms energy: -358.461923
where:
bonds (distance) C4'-P energy: -80.082
bonds (distance) P-C4' energy: -93.424
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -62.474
tors. eta vs tors. theta energy: -53.252
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: 18
Temperature: 1.350000
Total energy: -994.483635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.483635 (E_RNA)
where:
Base-Base interactions energy: -645.731
where: short stacking energy: -290.336
Base-Backbone interact. energy: 9.377
local terms energy: -358.129461
where:
bonds (distance) C4'-P energy: -85.908
bonds (distance) P-C4' energy: -77.569
flat angles C4'-P-C4' energy: -91.303
flat angles P-C4'-P energy: -48.830
tors. eta vs tors. theta energy: -54.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1777.096858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.096858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.096858 (E_RNA)
where:
Base-Base interactions energy: -1252.473
where: short stacking energy: -511.490
Base-Backbone interact. energy: -0.110
local terms energy: -524.514115
where:
bonds (distance) C4'-P energy: -98.863
bonds (distance) P-C4' energy: -91.729
flat angles C4'-P-C4' energy: -121.932
flat angles P-C4'-P energy: -72.945
tors. eta vs tors. theta energy: -139.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1701.606442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.606442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.606442 (E_RNA)
where:
Base-Base interactions energy: -1207.363
where: short stacking energy: -486.866
Base-Backbone interact. energy: -1.401
local terms energy: -492.841786
where:
bonds (distance) C4'-P energy: -84.390
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -102.340
flat angles P-C4'-P energy: -73.160
tors. eta vs tors. theta energy: -129.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1697.011725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.011725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.011725 (E_RNA)
where:
Base-Base interactions energy: -1197.420
where: short stacking energy: -478.843
Base-Backbone interact. energy: -3.521
local terms energy: -496.070258
where:
bonds (distance) C4'-P energy: -90.443
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -105.625
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -132.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1667.826905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.826905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.826905 (E_RNA)
where:
Base-Base interactions energy: -1172.739
where: short stacking energy: -464.289
Base-Backbone interact. energy: 4.722
local terms energy: -499.809849
where:
bonds (distance) C4'-P energy: -90.737
bonds (distance) P-C4' energy: -91.819
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -128.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1551.789663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.789663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.789663 (E_RNA)
where:
Base-Base interactions energy: -1080.434
where: short stacking energy: -432.129
Base-Backbone interact. energy: -1.505
local terms energy: -469.851149
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -93.258
flat angles C4'-P-C4' energy: -100.389
flat angles P-C4'-P energy: -74.171
tors. eta vs tors. theta energy: -126.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1424.432430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.432430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.432430 (E_RNA)
where:
Base-Base interactions energy: -986.398
where: short stacking energy: -393.821
Base-Backbone interact. energy: -1.004
local terms energy: -437.030873
where:
bonds (distance) C4'-P energy: -87.543
bonds (distance) P-C4' energy: -93.613
flat angles C4'-P-C4' energy: -107.020
flat angles P-C4'-P energy: -48.858
tors. eta vs tors. theta energy: -99.996
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: 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: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1224.413334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.413334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.413334 (E_RNA)
where:
Base-Base interactions energy: -844.730
where: short stacking energy: -365.164
Base-Backbone interact. energy: -1.005
local terms energy: -378.679045
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -89.108
flat angles C4'-P-C4' energy: -84.838
flat angles P-C4'-P energy: -59.008
tors. eta vs tors. theta energy: -84.255
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: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1076.446559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.446559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.446559 (E_RNA)
where:
Base-Base interactions energy: -722.717
where: short stacking energy: -307.678
Base-Backbone interact. energy: -0.474
local terms energy: -353.255659
where:
bonds (distance) C4'-P energy: -73.329
bonds (distance) P-C4' energy: -73.377
flat angles C4'-P-C4' energy: -83.091
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -69.394
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -976.945044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.945044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.945044 (E_RNA)
where:
Base-Base interactions energy: -646.046
where: short stacking energy: -288.564
Base-Backbone interact. energy: -0.164
local terms energy: -330.734776
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -79.012
flat angles C4'-P-C4' energy: -82.071
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -61.883
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: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1776.931443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.931443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.931443 (E_RNA)
where:
Base-Base interactions energy: -1245.600
where: short stacking energy: -528.548
Base-Backbone interact. energy: -1.811
local terms energy: -529.521094
where:
bonds (distance) C4'-P energy: -93.848
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -107.415
flat angles P-C4'-P energy: -81.828
tors. eta vs tors. theta energy: -150.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1710.404949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.404949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.404949 (E_RNA)
where:
Base-Base interactions energy: -1218.850
where: short stacking energy: -488.705
Base-Backbone interact. energy: 0.152
local terms energy: -491.706941
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -97.691
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -71.023
tors. eta vs tors. theta energy: -130.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1660.435105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.435105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.435105 (E_RNA)
where:
Base-Base interactions energy: -1161.445
where: short stacking energy: -456.052
Base-Backbone interact. energy: 0.448
local terms energy: -499.438401
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -102.826
flat angles C4'-P-C4' energy: -112.826
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -120.444
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1666.966516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.966516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.966516 (E_RNA)
where:
Base-Base interactions energy: -1188.284
where: short stacking energy: -466.220
Base-Backbone interact. energy: -2.760
local terms energy: -475.922380
where:
bonds (distance) C4'-P energy: -75.269
bonds (distance) P-C4' energy: -77.731
flat angles C4'-P-C4' energy: -106.800
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -137.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1574.319876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.319876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.319876 (E_RNA)
where:
Base-Base interactions energy: -1086.759
where: short stacking energy: -460.452
Base-Backbone interact. energy: -3.082
local terms energy: -484.479412
where:
bonds (distance) C4'-P energy: -78.975
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -73.497
tors. eta vs tors. theta energy: -130.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1418.710201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.710201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.710201 (E_RNA)
where:
Base-Base interactions energy: -984.511
where: short stacking energy: -403.652
Base-Backbone interact. energy: 0.161
local terms energy: -434.360204
where:
bonds (distance) C4'-P energy: -74.808
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -113.016
flat angles P-C4'-P energy: -64.009
tors. eta vs tors. theta energy: -110.274
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: 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: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1242.464124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.464124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.464124 (E_RNA)
where:
Base-Base interactions energy: -837.103
where: short stacking energy: -362.361
Base-Backbone interact. energy: -0.867
local terms energy: -404.493987
where:
bonds (distance) C4'-P energy: -72.880
bonds (distance) P-C4' energy: -71.248
flat angles C4'-P-C4' energy: -95.060
flat angles P-C4'-P energy: -73.942
tors. eta vs tors. theta energy: -91.363
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1118.988875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.988875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.988875 (E_RNA)
where:
Base-Base interactions energy: -766.873
where: short stacking energy: -312.416
Base-Backbone interact. energy: 1.870
local terms energy: -353.985957
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -73.957
flat angles C4'-P-C4' energy: -85.191
flat angles P-C4'-P energy: -54.089
tors. eta vs tors. theta energy: -68.582
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: 20
Temperature: 1.350000
Total energy: -954.826024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.826024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.826024 (E_RNA)
where:
Base-Base interactions energy: -638.286
where: short stacking energy: -287.560
Base-Backbone interact. energy: -2.024
local terms energy: -314.516577
where:
bonds (distance) C4'-P energy: -73.586
bonds (distance) P-C4' energy: -71.398
flat angles C4'-P-C4' energy: -76.324
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -47.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1784.176864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.176864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.176864 (E_RNA)
where:
Base-Base interactions energy: -1263.273
where: short stacking energy: -524.348
Base-Backbone interact. energy: 0.439
local terms energy: -521.343226
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -68.463
tors. eta vs tors. theta energy: -147.839
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: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1703.429805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.429805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.429805 (E_RNA)
where:
Base-Base interactions energy: -1215.175
where: short stacking energy: -507.375
Base-Backbone interact. energy: -1.340
local terms energy: -486.914905
where:
bonds (distance) C4'-P energy: -74.886
bonds (distance) P-C4' energy: -96.070
flat angles C4'-P-C4' energy: -112.125
flat angles P-C4'-P energy: -66.607
tors. eta vs tors. theta energy: -137.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1658.899754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.899754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.899754 (E_RNA)
where:
Base-Base interactions energy: -1176.957
where: short stacking energy: -479.381
Base-Backbone interact. energy: -2.782
local terms energy: -479.159922
where:
bonds (distance) C4'-P energy: -90.590
bonds (distance) P-C4' energy: -88.867
flat angles C4'-P-C4' energy: -110.436
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -132.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1603.693562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.693562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.693562 (E_RNA)
where:
Base-Base interactions energy: -1130.645
where: short stacking energy: -452.442
Base-Backbone interact. energy: -2.493
local terms energy: -470.556146
where:
bonds (distance) C4'-P energy: -95.946
bonds (distance) P-C4' energy: -92.445
flat angles C4'-P-C4' energy: -98.411
flat angles P-C4'-P energy: -65.838
tors. eta vs tors. theta energy: -117.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1582.249105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.249105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.249105 (E_RNA)
where:
Base-Base interactions energy: -1150.981
where: short stacking energy: -452.229
Base-Backbone interact. energy: -2.216
local terms energy: -429.052275
where:
bonds (distance) C4'-P energy: -79.526
bonds (distance) P-C4' energy: -84.010
flat angles C4'-P-C4' energy: -78.913
flat angles P-C4'-P energy: -62.607
tors. eta vs tors. theta energy: -123.996
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1451.444361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.444361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.444361 (E_RNA)
where:
Base-Base interactions energy: -1008.676
where: short stacking energy: -414.060
Base-Backbone interact. energy: -1.550
local terms energy: -441.218192
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -86.925
flat angles C4'-P-C4' energy: -99.245
flat angles P-C4'-P energy: -73.462
tors. eta vs tors. theta energy: -117.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -1213.437662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.437662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.437662 (E_RNA)
where:
Base-Base interactions energy: -834.322
where: short stacking energy: -360.515
Base-Backbone interact. energy: -0.859
local terms energy: -378.256015
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -79.100
flat angles C4'-P-C4' energy: -89.715
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -88.583
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: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1178.175447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.175447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.175447 (E_RNA)
where:
Base-Base interactions energy: -810.007
where: short stacking energy: -320.116
Base-Backbone interact. energy: -1.641
local terms energy: -366.527162
where:
bonds (distance) C4'-P energy: -79.337
bonds (distance) P-C4' energy: -78.663
flat angles C4'-P-C4' energy: -78.614
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -69.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -985.413934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.413934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.413934 (E_RNA)
where:
Base-Base interactions energy: -641.429
where: short stacking energy: -255.640
Base-Backbone interact. energy: -0.619
local terms energy: -343.365654
where:
bonds (distance) C4'-P energy: -77.541
bonds (distance) P-C4' energy: -92.795
flat angles C4'-P-C4' energy: -68.446
flat angles P-C4'-P energy: -50.038
tors. eta vs tors. theta energy: -54.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1790.799076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.799076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.799076 (E_RNA)
where:
Base-Base interactions energy: -1258.015
where: short stacking energy: -520.730
Base-Backbone interact. energy: -1.471
local terms energy: -531.313678
where:
bonds (distance) C4'-P energy: -90.558
bonds (distance) P-C4' energy: -96.391
flat angles C4'-P-C4' energy: -114.034
flat angles P-C4'-P energy: -85.083
tors. eta vs tors. theta energy: -145.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1691.591760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.591760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.591760 (E_RNA)
where:
Base-Base interactions energy: -1192.932
where: short stacking energy: -486.204
Base-Backbone interact. energy: -1.587
local terms energy: -497.072740
where:
bonds (distance) C4'-P energy: -90.697
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -114.085
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -124.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1660.625887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.625887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.625887 (E_RNA)
where:
Base-Base interactions energy: -1173.338
where: short stacking energy: -489.338
Base-Backbone interact. energy: -1.669
local terms energy: -485.619513
where:
bonds (distance) C4'-P energy: -82.316
bonds (distance) P-C4' energy: -95.354
flat angles C4'-P-C4' energy: -110.435
flat angles P-C4'-P energy: -70.540
tors. eta vs tors. theta energy: -126.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1612.060168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.060168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.060168 (E_RNA)
where:
Base-Base interactions energy: -1146.029
where: short stacking energy: -476.194
Base-Backbone interact. energy: -5.423
local terms energy: -460.608155
where:
bonds (distance) C4'-P energy: -94.660
bonds (distance) P-C4' energy: -83.302
flat angles C4'-P-C4' energy: -103.524
flat angles P-C4'-P energy: -49.168
tors. eta vs tors. theta energy: -129.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1573.301596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.301596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.301596 (E_RNA)
where:
Base-Base interactions energy: -1140.274
where: short stacking energy: -445.121
Base-Backbone interact. energy: -1.719
local terms energy: -431.308888
where:
bonds (distance) C4'-P energy: -70.483
bonds (distance) P-C4' energy: -82.802
flat angles C4'-P-C4' energy: -92.719
flat angles P-C4'-P energy: -64.532
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: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1486.386947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.386947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.386947 (E_RNA)
where:
Base-Base interactions energy: -1051.182
where: short stacking energy: -428.960
Base-Backbone interact. energy: -0.828
local terms energy: -434.376930
where:
bonds (distance) C4'-P energy: -66.903
bonds (distance) P-C4' energy: -80.452
flat angles C4'-P-C4' energy: -103.950
flat angles P-C4'-P energy: -70.660
tors. eta vs tors. theta energy: -112.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 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: -1204.086542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.086542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.086542 (E_RNA)
where:
Base-Base interactions energy: -820.534
where: short stacking energy: -354.262
Base-Backbone interact. energy: 4.462
local terms energy: -388.013760
where:
bonds (distance) C4'-P energy: -89.433
bonds (distance) P-C4' energy: -80.740
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -86.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1179.043000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.043000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.043000 (E_RNA)
where:
Base-Base interactions energy: -794.854
where: short stacking energy: -337.582
Base-Backbone interact. energy: -2.002
local terms energy: -382.187258
where:
bonds (distance) C4'-P energy: -74.953
bonds (distance) P-C4' energy: -85.865
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -63.885
tors. eta vs tors. theta energy: -76.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -905.102868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.102868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.102868 (E_RNA)
where:
Base-Base interactions energy: -583.364
where: short stacking energy: -247.180
Base-Backbone interact. energy: 1.401
local terms energy: -323.139634
where:
bonds (distance) C4'-P energy: -78.999
bonds (distance) P-C4' energy: -72.557
flat angles C4'-P-C4' energy: -76.071
flat angles P-C4'-P energy: -57.197
tors. eta vs tors. theta energy: -38.315
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: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1783.847444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.847444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.847444 (E_RNA)
where:
Base-Base interactions energy: -1260.628
where: short stacking energy: -524.717
Base-Backbone interact. energy: -2.664
local terms energy: -520.555846
where:
bonds (distance) C4'-P energy: -92.083
bonds (distance) P-C4' energy: -91.185
flat angles C4'-P-C4' energy: -118.369
flat angles P-C4'-P energy: -70.563
tors. eta vs tors. theta energy: -148.356
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1675.856453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.856453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.856453 (E_RNA)
where:
Base-Base interactions energy: -1175.139
where: short stacking energy: -470.888
Base-Backbone interact. energy: -2.793
local terms energy: -497.924017
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -93.116
flat angles C4'-P-C4' energy: -105.763
flat angles P-C4'-P energy: -74.014
tors. eta vs tors. theta energy: -122.839
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: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1640.119498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.119498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.119498 (E_RNA)
where:
Base-Base interactions energy: -1156.590
where: short stacking energy: -473.682
Base-Backbone interact. energy: -2.130
local terms energy: -481.399576
where:
bonds (distance) C4'-P energy: -94.640
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -103.143
flat angles P-C4'-P energy: -70.898
tors. eta vs tors. theta energy: -128.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1595.462160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.462160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.462160 (E_RNA)
where:
Base-Base interactions energy: -1120.642
where: short stacking energy: -468.049
Base-Backbone interact. energy: -0.914
local terms energy: -473.906293
where:
bonds (distance) C4'-P energy: -84.267
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -66.441
tors. eta vs tors. theta energy: -119.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1575.502086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.502086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.502086 (E_RNA)
where:
Base-Base interactions energy: -1131.077
where: short stacking energy: -451.020
Base-Backbone interact. energy: -1.011
local terms energy: -443.413273
where:
bonds (distance) C4'-P energy: -76.841
bonds (distance) P-C4' energy: -77.517
flat angles C4'-P-C4' energy: -103.040
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: -122.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1474.205070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.205070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.205070 (E_RNA)
where:
Base-Base interactions energy: -1025.462
where: short stacking energy: -432.110
Base-Backbone interact. energy: 0.810
local terms energy: -449.553206
where:
bonds (distance) C4'-P energy: -80.291
bonds (distance) P-C4' energy: -85.559
flat angles C4'-P-C4' energy: -94.869
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -126.013
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: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1429.515681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.515681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.515681 (E_RNA)
where:
Base-Base interactions energy: -999.801
where: short stacking energy: -404.982
Base-Backbone interact. energy: 0.939
local terms energy: -430.653889
where:
bonds (distance) C4'-P energy: -71.893
bonds (distance) P-C4' energy: -88.297
flat angles C4'-P-C4' energy: -95.841
flat angles P-C4'-P energy: -70.640
tors. eta vs tors. theta energy: -103.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1210.350458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.350458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.350458 (E_RNA)
where:
Base-Base interactions energy: -819.246
where: short stacking energy: -348.286
Base-Backbone interact. energy: 2.914
local terms energy: -394.018873
where:
bonds (distance) C4'-P energy: -71.898
bonds (distance) P-C4' energy: -87.225
flat angles C4'-P-C4' energy: -85.528
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -82.854
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: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1147.648425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.648425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.648425 (E_RNA)
where:
Base-Base interactions energy: -763.023
where: short stacking energy: -299.833
Base-Backbone interact. energy: -1.981
local terms energy: -382.643597
where:
bonds (distance) C4'-P energy: -79.608
bonds (distance) P-C4' energy: -76.353
flat angles C4'-P-C4' energy: -84.447
flat angles P-C4'-P energy: -64.622
tors. eta vs tors. theta energy: -77.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -959.893093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.893093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.893093 (E_RNA)
where:
Base-Base interactions energy: -622.845
where: short stacking energy: -278.970
Base-Backbone interact. energy: 0.990
local terms energy: -338.038077
where:
bonds (distance) C4'-P energy: -69.387
bonds (distance) P-C4' energy: -84.624
flat angles C4'-P-C4' energy: -72.773
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -58.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1812.648551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.648551 (E_RNA)
where:
Base-Base interactions energy: -1313.184
where: short stacking energy: -539.180
Base-Backbone interact. energy: -0.759
local terms energy: -498.706033
where:
bonds (distance) C4'-P energy: -91.201
bonds (distance) P-C4' energy: -87.714
flat angles C4'-P-C4' energy: -109.701
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: -143.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1687.005258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.005258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.005258 (E_RNA)
where:
Base-Base interactions energy: -1191.147
where: short stacking energy: -460.618
Base-Backbone interact. energy: -3.163
local terms energy: -492.695099
where:
bonds (distance) C4'-P energy: -85.286
bonds (distance) P-C4' energy: -90.608
flat angles C4'-P-C4' energy: -104.298
flat angles P-C4'-P energy: -80.383
tors. eta vs tors. theta energy: -132.121
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1643.413769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.413769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.413769 (E_RNA)
where:
Base-Base interactions energy: -1157.381
where: short stacking energy: -461.904
Base-Backbone interact. energy: -4.164
local terms energy: -481.869134
where:
bonds (distance) C4'-P energy: -91.538
bonds (distance) P-C4' energy: -94.865
flat angles C4'-P-C4' energy: -104.697
flat angles P-C4'-P energy: -69.388
tors. eta vs tors. theta energy: -121.381
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: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1604.504713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.504713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.504713 (E_RNA)
where:
Base-Base interactions energy: -1125.364
where: short stacking energy: -468.650
Base-Backbone interact. energy: -1.571
local terms energy: -477.569839
where:
bonds (distance) C4'-P energy: -88.467
bonds (distance) P-C4' energy: -97.631
flat angles C4'-P-C4' energy: -112.923
flat angles P-C4'-P energy: -61.547
tors. eta vs tors. theta energy: -117.001
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: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1563.835380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.835380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.835380 (E_RNA)
where:
Base-Base interactions energy: -1103.224
where: short stacking energy: -427.256
Base-Backbone interact. energy: -3.671
local terms energy: -456.939939
where:
bonds (distance) C4'-P energy: -77.188
bonds (distance) P-C4' energy: -87.878
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -76.769
tors. eta vs tors. theta energy: -113.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1500.698723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.698723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.698723 (E_RNA)
where:
Base-Base interactions energy: -1026.770
where: short stacking energy: -462.093
Base-Backbone interact. energy: -3.526
local terms energy: -470.402760
where:
bonds (distance) C4'-P energy: -86.640
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -125.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1415.400713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.400713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.400713 (E_RNA)
where:
Base-Base interactions energy: -987.951
where: short stacking energy: -419.839
Base-Backbone interact. energy: -1.099
local terms energy: -426.350670
where:
bonds (distance) C4'-P energy: -73.160
bonds (distance) P-C4' energy: -86.180
flat angles C4'-P-C4' energy: -98.956
flat angles P-C4'-P energy: -54.475
tors. eta vs tors. theta energy: -113.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1181.509767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.509767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.509767 (E_RNA)
where:
Base-Base interactions energy: -806.113
where: short stacking energy: -336.625
Base-Backbone interact. energy: -0.572
local terms energy: -374.824939
where:
bonds (distance) C4'-P energy: -73.714
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -98.244
flat angles P-C4'-P energy: -46.562
tors. eta vs tors. theta energy: -69.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1110.822696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.822696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.822696 (E_RNA)
where:
Base-Base interactions energy: -747.687
where: short stacking energy: -330.396
Base-Backbone interact. energy: -2.886
local terms energy: -360.249918
where:
bonds (distance) C4'-P energy: -74.489
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -47.604
tors. eta vs tors. theta energy: -75.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -946.353492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.353492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.353492 (E_RNA)
where:
Base-Base interactions energy: -629.280
where: short stacking energy: -269.267
Base-Backbone interact. energy: -3.726
local terms energy: -313.347549
where:
bonds (distance) C4'-P energy: -78.494
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -73.750
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -62.257
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: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1811.228355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.228355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.228355 (E_RNA)
where:
Base-Base interactions energy: -1286.424
where: short stacking energy: -521.202
Base-Backbone interact. energy: -2.297
local terms energy: -522.507596
where:
bonds (distance) C4'-P energy: -85.259
bonds (distance) P-C4' energy: -102.967
flat angles C4'-P-C4' energy: -111.252
flat angles P-C4'-P energy: -78.927
tors. eta vs tors. theta energy: -144.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1709.238121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.238121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.238121 (E_RNA)
where:
Base-Base interactions energy: -1197.661
where: short stacking energy: -494.897
Base-Backbone interact. energy: -0.037
local terms energy: -511.540780
where:
bonds (distance) C4'-P energy: -93.187
bonds (distance) P-C4' energy: -92.536
flat angles C4'-P-C4' energy: -112.591
flat angles P-C4'-P energy: -77.072
tors. eta vs tors. theta energy: -136.155
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: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1608.713966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.713966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.713966 (E_RNA)
where:
Base-Base interactions energy: -1133.649
where: short stacking energy: -476.200
Base-Backbone interact. energy: -3.430
local terms energy: -471.634913
where:
bonds (distance) C4'-P energy: -81.814
bonds (distance) P-C4' energy: -86.812
flat angles C4'-P-C4' energy: -107.607
flat angles P-C4'-P energy: -73.833
tors. eta vs tors. theta energy: -121.569
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: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1603.975479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.975479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.975479 (E_RNA)
where:
Base-Base interactions energy: -1098.985
where: short stacking energy: -455.046
Base-Backbone interact. energy: -2.036
local terms energy: -502.954686
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -93.990
flat angles C4'-P-C4' energy: -99.701
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -135.123
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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1541.235518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.235518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.235518 (E_RNA)
where:
Base-Base interactions energy: -1088.540
where: short stacking energy: -437.494
Base-Backbone interact. energy: -1.383
local terms energy: -451.312769
where:
bonds (distance) C4'-P energy: -71.162
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -93.698
flat angles P-C4'-P energy: -77.065
tors. eta vs tors. theta energy: -115.776
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: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1489.693587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.693587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.693587 (E_RNA)
where:
Base-Base interactions energy: -1042.194
where: short stacking energy: -440.866
Base-Backbone interact. energy: -1.731
local terms energy: -445.768068
where:
bonds (distance) C4'-P energy: -76.785
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -87.761
flat angles P-C4'-P energy: -63.214
tors. eta vs tors. theta energy: -131.955
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1387.176635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.176635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.176635 (E_RNA)
where:
Base-Base interactions energy: -975.129
where: short stacking energy: -405.775
Base-Backbone interact. energy: -1.890
local terms energy: -410.158423
where:
bonds (distance) C4'-P energy: -66.075
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -89.893
flat angles P-C4'-P energy: -64.031
tors. eta vs tors. theta energy: -101.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1163.818437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.818437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.818437 (E_RNA)
where:
Base-Base interactions energy: -783.243
where: short stacking energy: -330.257
Base-Backbone interact. energy: -1.225
local terms energy: -379.349795
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -74.543
flat angles C4'-P-C4' energy: -88.387
flat angles P-C4'-P energy: -53.436
tors. eta vs tors. theta energy: -74.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1142.922397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.922397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.922397 (E_RNA)
where:
Base-Base interactions energy: -783.485
where: short stacking energy: -339.173
Base-Backbone interact. energy: -0.335
local terms energy: -359.103185
where:
bonds (distance) C4'-P energy: -82.885
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -88.265
flat angles P-C4'-P energy: -62.119
tors. eta vs tors. theta energy: -76.131
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: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -855.331339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.331339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.331339 (E_RNA)
where:
Base-Base interactions energy: -545.737
where: short stacking energy: -238.838
Base-Backbone interact. energy: 0.199
local terms energy: -309.793407
where:
bonds (distance) C4'-P energy: -72.355
bonds (distance) P-C4' energy: -69.683
flat angles C4'-P-C4' energy: -81.659
flat angles P-C4'-P energy: -53.414
tors. eta vs tors. theta energy: -32.683
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: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1790.421587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.421587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.421587 (E_RNA)
where:
Base-Base interactions energy: -1282.511
where: short stacking energy: -520.348
Base-Backbone interact. energy: -2.450
local terms energy: -505.461041
where:
bonds (distance) C4'-P energy: -85.257
bonds (distance) P-C4' energy: -96.120
flat angles C4'-P-C4' energy: -111.864
flat angles P-C4'-P energy: -67.171
tors. eta vs tors. theta energy: -145.048
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1700.528245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.528245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.528245 (E_RNA)
where:
Base-Base interactions energy: -1211.243
where: short stacking energy: -497.239
Base-Backbone interact. energy: 10.299
local terms energy: -499.584444
where:
bonds (distance) C4'-P energy: -90.939
bonds (distance) P-C4' energy: -97.727
flat angles C4'-P-C4' energy: -112.632
flat angles P-C4'-P energy: -67.944
tors. eta vs tors. theta energy: -130.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1612.495400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.495400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.495400 (E_RNA)
where:
Base-Base interactions energy: -1154.516
where: short stacking energy: -475.289
Base-Backbone interact. energy: -3.261
local terms energy: -454.718666
where:
bonds (distance) C4'-P energy: -72.347
bonds (distance) P-C4' energy: -93.595
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -70.042
tors. eta vs tors. theta energy: -116.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1572.427261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.427261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.427261 (E_RNA)
where:
Base-Base interactions energy: -1125.426
where: short stacking energy: -444.042
Base-Backbone interact. energy: -3.521
local terms energy: -443.480328
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -87.657
flat angles C4'-P-C4' energy: -88.031
flat angles P-C4'-P energy: -63.497
tors. eta vs tors. theta energy: -110.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1513.440077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.440077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.440077 (E_RNA)
where:
Base-Base interactions energy: -1065.706
where: short stacking energy: -432.354
Base-Backbone interact. energy: 4.983
local terms energy: -452.717061
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -93.539
flat angles C4'-P-C4' energy: -96.905
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -125.876
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1448.361977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.361977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.361977 (E_RNA)
where:
Base-Base interactions energy: -1014.572
where: short stacking energy: -392.442
Base-Backbone interact. energy: -0.791
local terms energy: -432.998482
where:
bonds (distance) C4'-P energy: -69.300
bonds (distance) P-C4' energy: -88.000
flat angles C4'-P-C4' energy: -95.293
flat angles P-C4'-P energy: -73.787
tors. eta vs tors. theta energy: -106.618
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: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1320.823608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.823608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.823608 (E_RNA)
where:
Base-Base interactions energy: -895.261
where: short stacking energy: -377.444
Base-Backbone interact. energy: -0.192
local terms energy: -425.371043
where:
bonds (distance) C4'-P energy: -74.919
bonds (distance) P-C4' energy: -87.329
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -98.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1235.105859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.105859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.105859 (E_RNA)
where:
Base-Base interactions energy: -870.832
where: short stacking energy: -384.437
Base-Backbone interact. energy: -0.562
local terms energy: -363.712128
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -75.323
flat angles C4'-P-C4' energy: -83.161
flat angles P-C4'-P energy: -51.009
tors. eta vs tors. theta energy: -94.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1170.794125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.794125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.794125 (E_RNA)
where:
Base-Base interactions energy: -809.220
where: short stacking energy: -325.391
Base-Backbone interact. energy: 1.397
local terms energy: -362.971420
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -67.862
flat angles C4'-P-C4' energy: -81.978
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -83.996
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: 26
Temperature: 1.350000
Total energy: -830.734299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.734299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.734299 (E_RNA)
where:
Base-Base interactions energy: -545.828
where: short stacking energy: -230.670
Base-Backbone interact. energy: 0.366
local terms energy: -285.273163
where:
bonds (distance) C4'-P energy: -71.033
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -79.375
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -33.041
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: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1778.021720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.021720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.021720 (E_RNA)
where:
Base-Base interactions energy: -1273.239
where: short stacking energy: -529.065
Base-Backbone interact. energy: -0.953
local terms energy: -503.829705
where:
bonds (distance) C4'-P energy: -88.024
bonds (distance) P-C4' energy: -92.570
flat angles C4'-P-C4' energy: -103.662
flat angles P-C4'-P energy: -71.883
tors. eta vs tors. theta energy: -147.690
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1704.720609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.720609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.720609 (E_RNA)
where:
Base-Base interactions energy: -1189.696
where: short stacking energy: -500.840
Base-Backbone interact. energy: -0.187
local terms energy: -514.837607
where:
bonds (distance) C4'-P energy: -100.476
bonds (distance) P-C4' energy: -93.437
flat angles C4'-P-C4' energy: -113.911
flat angles P-C4'-P energy: -72.476
tors. eta vs tors. theta energy: -134.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1620.722675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.722675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.722675 (E_RNA)
where:
Base-Base interactions energy: -1152.443
where: short stacking energy: -497.785
Base-Backbone interact. energy: -0.235
local terms energy: -468.044873
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -85.089
flat angles C4'-P-C4' energy: -108.230
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: -132.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1571.332126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.332126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.332126 (E_RNA)
where:
Base-Base interactions energy: -1105.451
where: short stacking energy: -464.547
Base-Backbone interact. energy: -4.190
local terms energy: -461.691483
where:
bonds (distance) C4'-P energy: -82.976
bonds (distance) P-C4' energy: -87.740
flat angles C4'-P-C4' energy: -100.802
flat angles P-C4'-P energy: -64.526
tors. eta vs tors. theta energy: -125.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1575.475641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.475641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.475641 (E_RNA)
where:
Base-Base interactions energy: -1098.517
where: short stacking energy: -459.955
Base-Backbone interact. energy: -3.231
local terms energy: -473.727051
where:
bonds (distance) C4'-P energy: -83.734
bonds (distance) P-C4' energy: -93.131
flat angles C4'-P-C4' energy: -104.723
flat angles P-C4'-P energy: -60.771
tors. eta vs tors. theta energy: -131.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1473.382392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.382392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.382392 (E_RNA)
where:
Base-Base interactions energy: -997.402
where: short stacking energy: -411.284
Base-Backbone interact. energy: -0.058
local terms energy: -475.923008
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -100.434
flat angles C4'-P-C4' energy: -99.006
flat angles P-C4'-P energy: -66.069
tors. eta vs tors. theta energy: -107.453
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: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1344.525417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.525417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.525417 (E_RNA)
where:
Base-Base interactions energy: -947.722
where: short stacking energy: -394.996
Base-Backbone interact. energy: 1.830
local terms energy: -398.633013
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -88.000
flat angles P-C4'-P energy: -62.779
tors. eta vs tors. theta energy: -102.510
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: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1230.149573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.149573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.149573 (E_RNA)
where:
Base-Base interactions energy: -839.276
where: short stacking energy: -368.467
Base-Backbone interact. energy: -1.296
local terms energy: -389.578163
where:
bonds (distance) C4'-P energy: -90.195
bonds (distance) P-C4' energy: -78.280
flat angles C4'-P-C4' energy: -83.455
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: -83.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1195.299694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.299694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.299694 (E_RNA)
where:
Base-Base interactions energy: -832.606
where: short stacking energy: -349.130
Base-Backbone interact. energy: -0.566
local terms energy: -362.126943
where:
bonds (distance) C4'-P energy: -74.278
bonds (distance) P-C4' energy: -77.252
flat angles C4'-P-C4' energy: -77.027
flat angles P-C4'-P energy: -48.427
tors. eta vs tors. theta energy: -85.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -862.883835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.883835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.883835 (E_RNA)
where:
Base-Base interactions energy: -567.025
where: short stacking energy: -258.890
Base-Backbone interact. energy: -0.181
local terms energy: -295.677487
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -72.960
flat angles P-C4'-P energy: -52.621
tors. eta vs tors. theta energy: -30.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1794.849281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.849281 (E_RNA)
where:
Base-Base interactions energy: -1270.345
where: short stacking energy: -512.379
Base-Backbone interact. energy: -2.245
local terms energy: -522.260176
where:
bonds (distance) C4'-P energy: -99.066
bonds (distance) P-C4' energy: -102.998
flat angles C4'-P-C4' energy: -106.491
flat angles P-C4'-P energy: -68.441
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: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1717.354153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.354153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.354153 (E_RNA)
where:
Base-Base interactions energy: -1216.809
where: short stacking energy: -492.597
Base-Backbone interact. energy: 0.750
local terms energy: -501.295138
where:
bonds (distance) C4'-P energy: -100.495
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -110.227
flat angles P-C4'-P energy: -73.604
tors. eta vs tors. theta energy: -131.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1638.181908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.181908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.181908 (E_RNA)
where:
Base-Base interactions energy: -1159.442
where: short stacking energy: -487.644
Base-Backbone interact. energy: -0.717
local terms energy: -478.023442
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -92.992
flat angles C4'-P-C4' energy: -102.528
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -131.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1536.616760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.616760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.616760 (E_RNA)
where:
Base-Base interactions energy: -1081.787
where: short stacking energy: -425.528
Base-Backbone interact. energy: -3.127
local terms energy: -451.702279
where:
bonds (distance) C4'-P energy: -81.756
bonds (distance) P-C4' energy: -91.244
flat angles C4'-P-C4' energy: -100.716
flat angles P-C4'-P energy: -63.104
tors. eta vs tors. theta energy: -114.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1553.929465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.929465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.929465 (E_RNA)
where:
Base-Base interactions energy: -1065.366
where: short stacking energy: -456.781
Base-Backbone interact. energy: -0.708
local terms energy: -487.855674
where:
bonds (distance) C4'-P energy: -88.952
bonds (distance) P-C4' energy: -92.016
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -70.876
tors. eta vs tors. theta energy: -133.361
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1481.148869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.148869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.148869 (E_RNA)
where:
Base-Base interactions energy: -1051.783
where: short stacking energy: -413.436
Base-Backbone interact. energy: -1.486
local terms energy: -427.879620
where:
bonds (distance) C4'-P energy: -77.373
bonds (distance) P-C4' energy: -96.454
flat angles C4'-P-C4' energy: -89.612
flat angles P-C4'-P energy: -57.710
tors. eta vs tors. theta energy: -106.730
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: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1377.404749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.404749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.404749 (E_RNA)
where:
Base-Base interactions energy: -958.694
where: short stacking energy: -401.348
Base-Backbone interact. energy: 0.766
local terms energy: -419.476099
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -95.556
flat angles P-C4'-P energy: -51.507
tors. eta vs tors. theta energy: -111.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1229.599791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.599791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.599791 (E_RNA)
where:
Base-Base interactions energy: -841.185
where: short stacking energy: -364.516
Base-Backbone interact. energy: 1.534
local terms energy: -389.949252
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -86.444
flat angles C4'-P-C4' energy: -87.017
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: -89.606
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: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1194.707717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.707717 (E_RNA)
where:
Base-Base interactions energy: -807.509
where: short stacking energy: -369.312
Base-Backbone interact. energy: 1.188
local terms energy: -388.387168
where:
bonds (distance) C4'-P energy: -66.260
bonds (distance) P-C4' energy: -81.511
flat angles C4'-P-C4' energy: -98.957
flat angles P-C4'-P energy: -45.789
tors. eta vs tors. theta energy: -95.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -869.187777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.187777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.187777 (E_RNA)
where:
Base-Base interactions energy: -569.273
where: short stacking energy: -256.727
Base-Backbone interact. energy: -1.965
local terms energy: -297.949839
where:
bonds (distance) C4'-P energy: -69.965
bonds (distance) P-C4' energy: -78.843
flat angles C4'-P-C4' energy: -77.031
flat angles P-C4'-P energy: -47.378
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1813.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.334905 (E_RNA)
where:
Base-Base interactions energy: -1268.057
where: short stacking energy: -515.333
Base-Backbone interact. energy: -0.503
local terms energy: -544.775718
where:
bonds (distance) C4'-P energy: -99.976
bonds (distance) P-C4' energy: -105.371
flat angles C4'-P-C4' energy: -111.935
flat angles P-C4'-P energy: -78.109
tors. eta vs tors. theta energy: -149.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1720.096521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.096521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.096521 (E_RNA)
where:
Base-Base interactions energy: -1208.560
where: short stacking energy: -490.835
Base-Backbone interact. energy: 0.302
local terms energy: -511.839082
where:
bonds (distance) C4'-P energy: -97.563
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -79.424
tors. eta vs tors. theta energy: -131.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1660.552604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.552604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.552604 (E_RNA)
where:
Base-Base interactions energy: -1167.770
where: short stacking energy: -482.424
Base-Backbone interact. energy: -2.726
local terms energy: -490.056824
where:
bonds (distance) C4'-P energy: -92.559
bonds (distance) P-C4' energy: -88.693
flat angles C4'-P-C4' energy: -107.118
flat angles P-C4'-P energy: -62.602
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: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1594.404024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.404024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.404024 (E_RNA)
where:
Base-Base interactions energy: -1115.905
where: short stacking energy: -485.821
Base-Backbone interact. energy: 2.799
local terms energy: -481.297558
where:
bonds (distance) C4'-P energy: -83.088
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -113.502
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -141.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1537.731743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.731743 (E_RNA)
where:
Base-Base interactions energy: -1084.258
where: short stacking energy: -436.409
Base-Backbone interact. energy: -0.413
local terms energy: -453.060643
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -108.638
flat angles P-C4'-P energy: -64.160
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: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1522.650996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.650996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.650996 (E_RNA)
where:
Base-Base interactions energy: -1050.355
where: short stacking energy: -418.329
Base-Backbone interact. energy: -3.755
local terms energy: -468.541623
where:
bonds (distance) C4'-P energy: -92.496
bonds (distance) P-C4' energy: -93.461
flat angles C4'-P-C4' energy: -102.637
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: -108.261
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: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1401.595837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.595837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.595837 (E_RNA)
where:
Base-Base interactions energy: -984.713
where: short stacking energy: -406.169
Base-Backbone interact. energy: 1.343
local terms energy: -418.225743
where:
bonds (distance) C4'-P energy: -81.262
bonds (distance) P-C4' energy: -84.670
flat angles C4'-P-C4' energy: -94.068
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -107.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1301.269279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.269279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.269279 (E_RNA)
where:
Base-Base interactions energy: -884.772
where: short stacking energy: -345.637
Base-Backbone interact. energy: 3.023
local terms energy: -419.520842
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -79.084
flat angles C4'-P-C4' energy: -93.769
flat angles P-C4'-P energy: -64.892
tors. eta vs tors. theta energy: -98.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1132.824886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.824886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.824886 (E_RNA)
where:
Base-Base interactions energy: -764.153
where: short stacking energy: -323.164
Base-Backbone interact. energy: 1.403
local terms energy: -370.074779
where:
bonds (distance) C4'-P energy: -87.214
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -55.715
tors. eta vs tors. theta energy: -81.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -892.988161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.988161 (E_RNA)
where:
Base-Base interactions energy: -562.417
where: short stacking energy: -255.143
Base-Backbone interact. energy: 3.601
local terms energy: -334.171444
where:
bonds (distance) C4'-P energy: -89.110
bonds (distance) P-C4' energy: -80.046
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -43.767
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1773.124240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.124240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.124240 (E_RNA)
where:
Base-Base interactions energy: -1245.679
where: short stacking energy: -515.837
Base-Backbone interact. energy: -2.507
local terms energy: -524.938462
where:
bonds (distance) C4'-P energy: -87.553
bonds (distance) P-C4' energy: -102.401
flat angles C4'-P-C4' energy: -117.592
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -140.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1745.598063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.598063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.598063 (E_RNA)
where:
Base-Base interactions energy: -1237.649
where: short stacking energy: -512.623
Base-Backbone interact. energy: -1.512
local terms energy: -506.437089
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -101.348
flat angles C4'-P-C4' energy: -103.393
flat angles P-C4'-P energy: -74.732
tors. eta vs tors. theta energy: -143.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1633.599301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.599301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.599301 (E_RNA)
where:
Base-Base interactions energy: -1143.825
where: short stacking energy: -485.612
Base-Backbone interact. energy: 4.321
local terms energy: -494.095500
where:
bonds (distance) C4'-P energy: -94.358
bonds (distance) P-C4' energy: -83.658
flat angles C4'-P-C4' energy: -109.180
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -129.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1601.034517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.034517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.034517 (E_RNA)
where:
Base-Base interactions energy: -1119.770
where: short stacking energy: -448.145
Base-Backbone interact. energy: -1.455
local terms energy: -479.810168
where:
bonds (distance) C4'-P energy: -84.237
bonds (distance) P-C4' energy: -80.428
flat angles C4'-P-C4' energy: -98.992
flat angles P-C4'-P energy: -77.141
tors. eta vs tors. theta energy: -139.012
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: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1555.749255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.749255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.749255 (E_RNA)
where:
Base-Base interactions energy: -1086.803
where: short stacking energy: -427.351
Base-Backbone interact. energy: -3.449
local terms energy: -465.497285
where:
bonds (distance) C4'-P energy: -95.473
bonds (distance) P-C4' energy: -95.434
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -65.197
tors. eta vs tors. theta energy: -114.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1501.073690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.073690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.073690 (E_RNA)
where:
Base-Base interactions energy: -1060.056
where: short stacking energy: -434.707
Base-Backbone interact. energy: -1.574
local terms energy: -439.443984
where:
bonds (distance) C4'-P energy: -71.072
bonds (distance) P-C4' energy: -94.399
flat angles C4'-P-C4' energy: -96.452
flat angles P-C4'-P energy: -60.094
tors. eta vs tors. theta energy: -117.427
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: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1431.100307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.100307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.100307 (E_RNA)
where:
Base-Base interactions energy: -972.369
where: short stacking energy: -423.214
Base-Backbone interact. energy: 3.739
local terms energy: -462.469854
where:
bonds (distance) C4'-P energy: -86.691
bonds (distance) P-C4' energy: -86.056
flat angles C4'-P-C4' energy: -103.119
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -120.628
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: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1298.500067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.500067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.500067 (E_RNA)
where:
Base-Base interactions energy: -889.938
where: short stacking energy: -388.520
Base-Backbone interact. energy: 1.042
local terms energy: -409.603862
where:
bonds (distance) C4'-P energy: -80.352
bonds (distance) P-C4' energy: -79.500
flat angles C4'-P-C4' energy: -84.094
flat angles P-C4'-P energy: -65.534
tors. eta vs tors. theta energy: -100.124
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: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1133.891251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.891251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.891251 (E_RNA)
where:
Base-Base interactions energy: -748.888
where: short stacking energy: -316.397
Base-Backbone interact. energy: 0.901
local terms energy: -385.904026
where:
bonds (distance) C4'-P energy: -86.612
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -80.159
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -68.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -917.872592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.872592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.872592 (E_RNA)
where:
Base-Base interactions energy: -607.750
where: short stacking energy: -284.663
Base-Backbone interact. energy: -0.800
local terms energy: -309.322581
where:
bonds (distance) C4'-P energy: -68.763
bonds (distance) P-C4' energy: -73.868
flat angles C4'-P-C4' energy: -75.490
flat angles P-C4'-P energy: -37.322
tors. eta vs tors. theta energy: -53.879
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1771.405106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.405106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.405106 (E_RNA)
where:
Base-Base interactions energy: -1233.439
where: short stacking energy: -519.554
Base-Backbone interact. energy: -3.265
local terms energy: -534.701602
where:
bonds (distance) C4'-P energy: -104.509
bonds (distance) P-C4' energy: -102.176
flat angles C4'-P-C4' energy: -108.275
flat angles P-C4'-P energy: -79.188
tors. eta vs tors. theta energy: -140.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1724.970644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.970644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.970644 (E_RNA)
where:
Base-Base interactions energy: -1206.831
where: short stacking energy: -511.999
Base-Backbone interact. energy: -2.853
local terms energy: -515.286434
where:
bonds (distance) C4'-P energy: -86.734
bonds (distance) P-C4' energy: -89.096
flat angles C4'-P-C4' energy: -117.186
flat angles P-C4'-P energy: -72.779
tors. eta vs tors. theta energy: -149.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1630.365693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.365693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.365693 (E_RNA)
where:
Base-Base interactions energy: -1140.244
where: short stacking energy: -501.617
Base-Backbone interact. energy: -1.300
local terms energy: -488.821999
where:
bonds (distance) C4'-P energy: -79.389
bonds (distance) P-C4' energy: -97.029
flat angles C4'-P-C4' energy: -98.352
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -141.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1541.582154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.582154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.582154 (E_RNA)
where:
Base-Base interactions energy: -1078.024
where: short stacking energy: -450.957
Base-Backbone interact. energy: -1.927
local terms energy: -461.630511
where:
bonds (distance) C4'-P energy: -85.300
bonds (distance) P-C4' energy: -87.983
flat angles C4'-P-C4' energy: -92.674
flat angles P-C4'-P energy: -72.188
tors. eta vs tors. theta energy: -123.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1565.745282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.745282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.745282 (E_RNA)
where:
Base-Base interactions energy: -1103.456
where: short stacking energy: -477.195
Base-Backbone interact. energy: -0.691
local terms energy: -461.598819
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -90.093
flat angles C4'-P-C4' energy: -94.846
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -134.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1525.766905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.766905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.766905 (E_RNA)
where:
Base-Base interactions energy: -1072.510
where: short stacking energy: -451.982
Base-Backbone interact. energy: -0.167
local terms energy: -453.089792
where:
bonds (distance) C4'-P energy: -88.763
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -92.342
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: -118.158
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1419.521957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.521957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.521957 (E_RNA)
where:
Base-Base interactions energy: -993.518
where: short stacking energy: -402.623
Base-Backbone interact. energy: -1.676
local terms energy: -424.328626
where:
bonds (distance) C4'-P energy: -64.777
bonds (distance) P-C4' energy: -89.311
flat angles C4'-P-C4' energy: -97.533
flat angles P-C4'-P energy: -66.176
tors. eta vs tors. theta energy: -106.531
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1239.293592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.293592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.293592 (E_RNA)
where:
Base-Base interactions energy: -863.499
where: short stacking energy: -369.179
Base-Backbone interact. energy: 1.723
local terms energy: -377.517626
where:
bonds (distance) C4'-P energy: -71.974
bonds (distance) P-C4' energy: -76.502
flat angles C4'-P-C4' energy: -86.584
flat angles P-C4'-P energy: -61.232
tors. eta vs tors. theta energy: -81.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1126.455484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.455484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.455484 (E_RNA)
where:
Base-Base interactions energy: -738.735
where: short stacking energy: -299.565
Base-Backbone interact. energy: 1.677
local terms energy: -389.396528
where:
bonds (distance) C4'-P energy: -91.486
bonds (distance) P-C4' energy: -92.073
flat angles C4'-P-C4' energy: -87.624
flat angles P-C4'-P energy: -58.291
tors. eta vs tors. theta energy: -59.923
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -906.378173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.378173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.378173 (E_RNA)
where:
Base-Base interactions energy: -585.100
where: short stacking energy: -251.401
Base-Backbone interact. energy: 1.476
local terms energy: -322.754578
where:
bonds (distance) C4'-P energy: -76.997
bonds (distance) P-C4' energy: -78.694
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -53.111
tors. eta vs tors. theta energy: -42.549
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: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1766.523656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.523656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.523656 (E_RNA)
where:
Base-Base interactions energy: -1248.747
where: short stacking energy: -494.619
Base-Backbone interact. energy: -1.032
local terms energy: -516.744083
where:
bonds (distance) C4'-P energy: -95.202
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -114.223
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -134.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1751.899525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.899525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.899525 (E_RNA)
where:
Base-Base interactions energy: -1237.243
where: short stacking energy: -519.618
Base-Backbone interact. energy: -2.941
local terms energy: -511.715206
where:
bonds (distance) C4'-P energy: -83.516
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -114.649
flat angles P-C4'-P energy: -64.989
tors. eta vs tors. theta energy: -146.637
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: 32
Temperature: 1.000000
Total energy: -1669.712990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.712990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.712990 (E_RNA)
where:
Base-Base interactions energy: -1177.162
where: short stacking energy: -512.804
Base-Backbone interact. energy: -0.717
local terms energy: -491.833540
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -90.237
flat angles C4'-P-C4' energy: -101.337
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -150.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1542.219067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.219067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.219067 (E_RNA)
where:
Base-Base interactions energy: -1080.834
where: short stacking energy: -456.612
Base-Backbone interact. energy: -2.423
local terms energy: -458.961704
where:
bonds (distance) C4'-P energy: -82.728
bonds (distance) P-C4' energy: -84.729
flat angles C4'-P-C4' energy: -100.645
flat angles P-C4'-P energy: -68.887
tors. eta vs tors. theta energy: -121.973
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: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1564.539112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.539112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.539112 (E_RNA)
where:
Base-Base interactions energy: -1088.711
where: short stacking energy: -474.660
Base-Backbone interact. energy: 2.411
local terms energy: -478.239521
where:
bonds (distance) C4'-P energy: -97.196
bonds (distance) P-C4' energy: -81.215
flat angles C4'-P-C4' energy: -98.263
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -136.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1450.640348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.640348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.640348 (E_RNA)
where:
Base-Base interactions energy: -1018.320
where: short stacking energy: -422.175
Base-Backbone interact. energy: -0.196
local terms energy: -432.125098
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -82.354
flat angles C4'-P-C4' energy: -94.919
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -112.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1316.056911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.056911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.056911 (E_RNA)
where:
Base-Base interactions energy: -899.798
where: short stacking energy: -389.739
Base-Backbone interact. energy: 1.335
local terms energy: -417.593515
where:
bonds (distance) C4'-P energy: -88.508
bonds (distance) P-C4' energy: -86.270
flat angles C4'-P-C4' energy: -95.021
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: -100.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1376.316098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.316098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.316098 (E_RNA)
where:
Base-Base interactions energy: -955.176
where: short stacking energy: -402.544
Base-Backbone interact. energy: 0.307
local terms energy: -421.447698
where:
bonds (distance) C4'-P energy: -64.278
bonds (distance) P-C4' energy: -80.677
flat angles C4'-P-C4' energy: -100.222
flat angles P-C4'-P energy: -58.255
tors. eta vs tors. theta energy: -118.016
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: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1140.603233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.603233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.603233 (E_RNA)
where:
Base-Base interactions energy: -745.379
where: short stacking energy: -321.061
Base-Backbone interact. energy: -0.179
local terms energy: -395.045594
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -91.680
flat angles P-C4'-P energy: -62.807
tors. eta vs tors. theta energy: -76.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -885.322476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.322476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.322476 (E_RNA)
where:
Base-Base interactions energy: -549.545
where: short stacking energy: -228.485
Base-Backbone interact. energy: -2.383
local terms energy: -333.394467
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -82.026
flat angles C4'-P-C4' energy: -97.265
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1727.631082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.631082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.631082 (E_RNA)
where:
Base-Base interactions energy: -1227.513
where: short stacking energy: -500.847
Base-Backbone interact. energy: -2.374
local terms energy: -497.743688
where:
bonds (distance) C4'-P energy: -86.807
bonds (distance) P-C4' energy: -95.553
flat angles C4'-P-C4' energy: -113.164
flat angles P-C4'-P energy: -75.066
tors. eta vs tors. theta energy: -127.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1742.127236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.127236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.127236 (E_RNA)
where:
Base-Base interactions energy: -1225.591
where: short stacking energy: -501.364
Base-Backbone interact. energy: -0.074
local terms energy: -516.462633
where:
bonds (distance) C4'-P energy: -101.710
bonds (distance) P-C4' energy: -96.425
flat angles C4'-P-C4' energy: -108.562
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -137.900
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: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1672.194248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.194248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.194248 (E_RNA)
where:
Base-Base interactions energy: -1167.229
where: short stacking energy: -499.504
Base-Backbone interact. energy: -2.272
local terms energy: -502.692484
where:
bonds (distance) C4'-P energy: -97.973
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -110.110
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -143.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1621.165644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.165644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.165644 (E_RNA)
where:
Base-Base interactions energy: -1129.465
where: short stacking energy: -482.084
Base-Backbone interact. energy: -1.345
local terms energy: -490.356116
where:
bonds (distance) C4'-P energy: -87.995
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -116.578
flat angles P-C4'-P energy: -57.293
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: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1490.133189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.133189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.133189 (E_RNA)
where:
Base-Base interactions energy: -1045.963
where: short stacking energy: -406.723
Base-Backbone interact. energy: -4.302
local terms energy: -439.868690
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -84.319
flat angles C4'-P-C4' energy: -103.436
flat angles P-C4'-P energy: -67.200
tors. eta vs tors. theta energy: -99.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1445.534249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.534249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.534249 (E_RNA)
where:
Base-Base interactions energy: -1009.337
where: short stacking energy: -413.423
Base-Backbone interact. energy: -2.047
local terms energy: -434.149949
where:
bonds (distance) C4'-P energy: -82.831
bonds (distance) P-C4' energy: -92.019
flat angles C4'-P-C4' energy: -90.664
flat angles P-C4'-P energy: -63.203
tors. eta vs tors. theta energy: -105.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1340.149677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.149677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.149677 (E_RNA)
where:
Base-Base interactions energy: -942.310
where: short stacking energy: -380.654
Base-Backbone interact. energy: -5.220
local terms energy: -392.619610
where:
bonds (distance) C4'-P energy: -74.385
bonds (distance) P-C4' energy: -81.099
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -99.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1382.468767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.468767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.468767 (E_RNA)
where:
Base-Base interactions energy: -950.935
where: short stacking energy: -385.076
Base-Backbone interact. energy: -2.359
local terms energy: -429.173987
where:
bonds (distance) C4'-P energy: -75.804
bonds (distance) P-C4' energy: -84.517
flat angles C4'-P-C4' energy: -90.281
flat angles P-C4'-P energy: -73.237
tors. eta vs tors. theta energy: -105.335
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: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1127.590636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.590636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.590636 (E_RNA)
where:
Base-Base interactions energy: -791.676
where: short stacking energy: -339.407
Base-Backbone interact. energy: -0.138
local terms energy: -335.776558
where:
bonds (distance) C4'-P energy: -63.089
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -96.119
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -71.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -896.156737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.156737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.156737 (E_RNA)
where:
Base-Base interactions energy: -564.663
where: short stacking energy: -252.031
Base-Backbone interact. energy: -2.190
local terms energy: -329.304325
where:
bonds (distance) C4'-P energy: -90.728
bonds (distance) P-C4' energy: -82.225
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1732.970268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.970268 (E_RNA)
where:
Base-Base interactions energy: -1208.977
where: short stacking energy: -476.768
Base-Backbone interact. energy: -1.959
local terms energy: -522.034258
where:
bonds (distance) C4'-P energy: -101.332
bonds (distance) P-C4' energy: -101.314
flat angles C4'-P-C4' energy: -119.774
flat angles P-C4'-P energy: -77.835
tors. eta vs tors. theta energy: -121.779
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: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1751.418993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.418993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.418993 (E_RNA)
where:
Base-Base interactions energy: -1233.871
where: short stacking energy: -526.897
Base-Backbone interact. energy: 0.538
local terms energy: -518.086238
where:
bonds (distance) C4'-P energy: -91.658
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -107.807
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -152.855
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1660.190842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.190842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.190842 (E_RNA)
where:
Base-Base interactions energy: -1133.036
where: short stacking energy: -486.634
Base-Backbone interact. energy: -1.313
local terms energy: -525.841802
where:
bonds (distance) C4'-P energy: -98.415
bonds (distance) P-C4' energy: -99.303
flat angles C4'-P-C4' energy: -107.805
flat angles P-C4'-P energy: -69.841
tors. eta vs tors. theta energy: -150.477
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: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1632.987847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.987847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.987847 (E_RNA)
where:
Base-Base interactions energy: -1125.874
where: short stacking energy: -473.786
Base-Backbone interact. energy: -2.951
local terms energy: -504.162525
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -106.029
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -134.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1502.164619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.164619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.164619 (E_RNA)
where:
Base-Base interactions energy: -1048.491
where: short stacking energy: -423.483
Base-Backbone interact. energy: -2.505
local terms energy: -451.169325
where:
bonds (distance) C4'-P energy: -94.923
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -89.635
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -119.013
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1453.351367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.351367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.351367 (E_RNA)
where:
Base-Base interactions energy: -1038.977
where: short stacking energy: -430.167
Base-Backbone interact. energy: -1.839
local terms energy: -412.535918
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -76.682
flat angles C4'-P-C4' energy: -103.254
flat angles P-C4'-P energy: -58.800
tors. eta vs tors. theta energy: -110.525
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: 34
Temperature: 1.200000
Total energy: -1324.605507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.605507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.605507 (E_RNA)
where:
Base-Base interactions energy: -894.543
where: short stacking energy: -396.005
Base-Backbone interact. energy: -1.392
local terms energy: -428.669868
where:
bonds (distance) C4'-P energy: -83.398
bonds (distance) P-C4' energy: -86.930
flat angles C4'-P-C4' energy: -100.836
flat angles P-C4'-P energy: -52.210
tors. eta vs tors. theta energy: -105.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1371.814996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.814996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.814996 (E_RNA)
where:
Base-Base interactions energy: -925.278
where: short stacking energy: -372.527
Base-Backbone interact. energy: -2.161
local terms energy: -444.376229
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -88.687
flat angles P-C4'-P energy: -69.550
tors. eta vs tors. theta energy: -106.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1118.767289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.767289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.767289 (E_RNA)
where:
Base-Base interactions energy: -748.728
where: short stacking energy: -340.198
Base-Backbone interact. energy: -0.166
local terms energy: -369.873914
where:
bonds (distance) C4'-P energy: -66.935
bonds (distance) P-C4' energy: -77.767
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: -81.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -927.386548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.386548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.386548 (E_RNA)
where:
Base-Base interactions energy: -594.617
where: short stacking energy: -259.717
Base-Backbone interact. energy: 5.498
local terms energy: -338.267238
where:
bonds (distance) C4'-P energy: -84.494
bonds (distance) P-C4' energy: -79.803
flat angles C4'-P-C4' energy: -70.115
flat angles P-C4'-P energy: -59.416
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1727.472091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.472091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.472091 (E_RNA)
where:
Base-Base interactions energy: -1216.062
where: short stacking energy: -485.226
Base-Backbone interact. energy: -4.049
local terms energy: -507.360924
where:
bonds (distance) C4'-P energy: -94.381
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -110.156
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -124.441
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: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1760.345947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.345947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.345947 (E_RNA)
where:
Base-Base interactions energy: -1258.282
where: short stacking energy: -511.834
Base-Backbone interact. energy: 0.060
local terms energy: -502.124272
where:
bonds (distance) C4'-P energy: -88.431
bonds (distance) P-C4' energy: -94.148
flat angles C4'-P-C4' energy: -104.847
flat angles P-C4'-P energy: -74.842
tors. eta vs tors. theta energy: -139.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1663.621260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.621260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.621260 (E_RNA)
where:
Base-Base interactions energy: -1144.813
where: short stacking energy: -505.219
Base-Backbone interact. energy: -0.985
local terms energy: -517.822645
where:
bonds (distance) C4'-P energy: -83.659
bonds (distance) P-C4' energy: -104.299
flat angles C4'-P-C4' energy: -110.431
flat angles P-C4'-P energy: -71.000
tors. eta vs tors. theta energy: -148.434
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: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1619.006766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.006766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.006766 (E_RNA)
where:
Base-Base interactions energy: -1112.792
where: short stacking energy: -490.217
Base-Backbone interact. energy: -2.523
local terms energy: -503.691750
where:
bonds (distance) C4'-P energy: -100.098
bonds (distance) P-C4' energy: -87.015
flat angles C4'-P-C4' energy: -110.850
flat angles P-C4'-P energy: -63.505
tors. eta vs tors. theta energy: -142.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1520.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.033923 (E_RNA)
where:
Base-Base interactions energy: -1064.052
where: short stacking energy: -451.828
Base-Backbone interact. energy: -2.419
local terms energy: -453.562621
where:
bonds (distance) C4'-P energy: -61.005
bonds (distance) P-C4' energy: -98.864
flat angles C4'-P-C4' energy: -98.612
flat angles P-C4'-P energy: -74.405
tors. eta vs tors. theta energy: -120.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1433.047405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.047405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.047405 (E_RNA)
where:
Base-Base interactions energy: -1000.960
where: short stacking energy: -426.163
Base-Backbone interact. energy: -1.495
local terms energy: -430.592635
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -90.898
flat angles C4'-P-C4' energy: -92.427
flat angles P-C4'-P energy: -61.661
tors. eta vs tors. theta energy: -101.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1346.593966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.593966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.593966 (E_RNA)
where:
Base-Base interactions energy: -920.537
where: short stacking energy: -379.775
Base-Backbone interact. energy: 2.097
local terms energy: -428.153588
where:
bonds (distance) C4'-P energy: -78.131
bonds (distance) P-C4' energy: -87.161
flat angles C4'-P-C4' energy: -98.555
flat angles P-C4'-P energy: -66.348
tors. eta vs tors. theta energy: -97.959
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1348.066569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.066569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.066569 (E_RNA)
where:
Base-Base interactions energy: -963.697
where: short stacking energy: -397.904
Base-Backbone interact. energy: 1.461
local terms energy: -385.829895
where:
bonds (distance) C4'-P energy: -78.774
bonds (distance) P-C4' energy: -83.563
flat angles C4'-P-C4' energy: -88.603
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -96.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1026.614304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.614304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.614304 (E_RNA)
where:
Base-Base interactions energy: -676.084
where: short stacking energy: -296.327
Base-Backbone interact. energy: 1.270
local terms energy: -351.799685
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -71.201
flat angles P-C4'-P energy: -69.427
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -945.503860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.503860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.503860 (E_RNA)
where:
Base-Base interactions energy: -629.362
where: short stacking energy: -270.772
Base-Backbone interact. energy: 6.341
local terms energy: -322.481913
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -78.280
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -64.989
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1795.326660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.326660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.326660 (E_RNA)
where:
Base-Base interactions energy: -1273.024
where: short stacking energy: -553.286
Base-Backbone interact. energy: -0.500
local terms energy: -521.802052
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -110.840
flat angles P-C4'-P energy: -78.338
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1678.717604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.717604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.717604 (E_RNA)
where:
Base-Base interactions energy: -1182.465
where: short stacking energy: -487.925
Base-Backbone interact. energy: -2.616
local terms energy: -493.636947
where:
bonds (distance) C4'-P energy: -90.539
bonds (distance) P-C4' energy: -83.592
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -73.119
tors. eta vs tors. theta energy: -131.401
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: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1662.138721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.138721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.138721 (E_RNA)
where:
Base-Base interactions energy: -1176.680
where: short stacking energy: -503.789
Base-Backbone interact. energy: -1.439
local terms energy: -484.020226
where:
bonds (distance) C4'-P energy: -86.361
bonds (distance) P-C4' energy: -81.990
flat angles C4'-P-C4' energy: -105.371
flat angles P-C4'-P energy: -75.887
tors. eta vs tors. theta energy: -134.410
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: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1623.879364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.879364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.879364 (E_RNA)
where:
Base-Base interactions energy: -1112.191
where: short stacking energy: -476.545
Base-Backbone interact. energy: -0.420
local terms energy: -511.268368
where:
bonds (distance) C4'-P energy: -99.828
bonds (distance) P-C4' energy: -94.741
flat angles C4'-P-C4' energy: -101.189
flat angles P-C4'-P energy: -79.425
tors. eta vs tors. theta energy: -136.085
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1448.413958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.413958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.413958 (E_RNA)
where:
Base-Base interactions energy: -994.947
where: short stacking energy: -418.457
Base-Backbone interact. energy: -1.850
local terms energy: -451.617006
where:
bonds (distance) C4'-P energy: -82.854
bonds (distance) P-C4' energy: -88.272
flat angles C4'-P-C4' energy: -99.630
flat angles P-C4'-P energy: -64.416
tors. eta vs tors. theta energy: -116.445
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: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1459.120165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.120165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.120165 (E_RNA)
where:
Base-Base interactions energy: -1014.595
where: short stacking energy: -414.964
Base-Backbone interact. energy: 0.895
local terms energy: -445.419893
where:
bonds (distance) C4'-P energy: -87.250
bonds (distance) P-C4' energy: -100.455
flat angles C4'-P-C4' energy: -91.142
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -107.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1409.077539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.077539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.077539 (E_RNA)
where:
Base-Base interactions energy: -975.593
where: short stacking energy: -430.480
Base-Backbone interact. energy: -0.978
local terms energy: -432.506265
where:
bonds (distance) C4'-P energy: -81.606
bonds (distance) P-C4' energy: -88.487
flat angles C4'-P-C4' energy: -96.085
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -116.950
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: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1267.501995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.501995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.501995 (E_RNA)
where:
Base-Base interactions energy: -885.003
where: short stacking energy: -366.610
Base-Backbone interact. energy: -0.280
local terms energy: -382.218429
where:
bonds (distance) C4'-P energy: -76.649
bonds (distance) P-C4' energy: -89.181
flat angles C4'-P-C4' energy: -89.619
flat angles P-C4'-P energy: -53.199
tors. eta vs tors. theta energy: -73.572
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: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1058.917826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.917826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.917826 (E_RNA)
where:
Base-Base interactions energy: -701.617
where: short stacking energy: -321.314
Base-Backbone interact. energy: 0.995
local terms energy: -358.295524
where:
bonds (distance) C4'-P energy: -90.758
bonds (distance) P-C4' energy: -67.004
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -68.182
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: 36
Temperature: 1.350000
Total energy: -882.385742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.385742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.385742 (E_RNA)
where:
Base-Base interactions energy: -572.114
where: short stacking energy: -248.570
Base-Backbone interact. energy: -0.202
local terms energy: -310.069402
where:
bonds (distance) C4'-P energy: -74.277
bonds (distance) P-C4' energy: -81.643
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -34.677
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: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1806.010396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.010396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.010396 (E_RNA)
where:
Base-Base interactions energy: -1278.854
where: short stacking energy: -552.735
Base-Backbone interact. energy: -1.948
local terms energy: -525.208296
where:
bonds (distance) C4'-P energy: -92.234
bonds (distance) P-C4' energy: -89.109
flat angles C4'-P-C4' energy: -113.405
flat angles P-C4'-P energy: -82.565
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: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1670.596323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.596323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.596323 (E_RNA)
where:
Base-Base interactions energy: -1170.282
where: short stacking energy: -500.271
Base-Backbone interact. energy: 2.307
local terms energy: -502.621541
where:
bonds (distance) C4'-P energy: -94.648
bonds (distance) P-C4' energy: -95.317
flat angles C4'-P-C4' energy: -102.751
flat angles P-C4'-P energy: -74.927
tors. eta vs tors. theta energy: -134.979
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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1651.608128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.608128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.608128 (E_RNA)
where:
Base-Base interactions energy: -1151.631
where: short stacking energy: -487.345
Base-Backbone interact. energy: -1.818
local terms energy: -498.159505
where:
bonds (distance) C4'-P energy: -92.384
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -102.062
flat angles P-C4'-P energy: -78.182
tors. eta vs tors. theta energy: -137.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1630.873670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.873670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.873670 (E_RNA)
where:
Base-Base interactions energy: -1125.327
where: short stacking energy: -470.514
Base-Backbone interact. energy: 3.849
local terms energy: -509.396059
where:
bonds (distance) C4'-P energy: -90.744
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -114.345
flat angles P-C4'-P energy: -74.565
tors. eta vs tors. theta energy: -141.286
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1440.254814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.254814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.254814 (E_RNA)
where:
Base-Base interactions energy: -1001.606
where: short stacking energy: -440.724
Base-Backbone interact. energy: -2.602
local terms energy: -436.046694
where:
bonds (distance) C4'-P energy: -87.978
bonds (distance) P-C4' energy: -87.897
flat angles C4'-P-C4' energy: -93.256
flat angles P-C4'-P energy: -68.190
tors. eta vs tors. theta energy: -98.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1472.555512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.555512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.555512 (E_RNA)
where:
Base-Base interactions energy: -1021.754
where: short stacking energy: -421.677
Base-Backbone interact. energy: 0.867
local terms energy: -451.668492
where:
bonds (distance) C4'-P energy: -75.401
bonds (distance) P-C4' energy: -87.253
flat angles C4'-P-C4' energy: -103.430
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -116.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1379.884581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.884581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.884581 (E_RNA)
where:
Base-Base interactions energy: -968.520
where: short stacking energy: -413.712
Base-Backbone interact. energy: -0.787
local terms energy: -410.577591
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -85.852
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -114.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1235.480731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.480731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.480731 (E_RNA)
where:
Base-Base interactions energy: -831.507
where: short stacking energy: -388.227
Base-Backbone interact. energy: 5.152
local terms energy: -409.125093
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -76.697
flat angles C4'-P-C4' energy: -82.972
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -103.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1071.753291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.753291 (E_RNA)
where:
Base-Base interactions energy: -730.723
where: short stacking energy: -332.224
Base-Backbone interact. energy: -1.340
local terms energy: -339.690522
where:
bonds (distance) C4'-P energy: -59.058
bonds (distance) P-C4' energy: -63.859
flat angles C4'-P-C4' energy: -88.533
flat angles P-C4'-P energy: -53.408
tors. eta vs tors. theta energy: -74.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -911.580469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.580469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.580469 (E_RNA)
where:
Base-Base interactions energy: -588.006
where: short stacking energy: -262.587
Base-Backbone interact. energy: -2.391
local terms energy: -321.183219
where:
bonds (distance) C4'-P energy: -78.939
bonds (distance) P-C4' energy: -59.057
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -57.247
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1808.773009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.773009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.773009 (E_RNA)
where:
Base-Base interactions energy: -1272.781
where: short stacking energy: -547.770
Base-Backbone interact. energy: -1.791
local terms energy: -534.200861
where:
bonds (distance) C4'-P energy: -103.102
bonds (distance) P-C4' energy: -95.202
flat angles C4'-P-C4' energy: -116.442
flat angles P-C4'-P energy: -68.705
tors. eta vs tors. theta energy: -150.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1680.185046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.185046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.185046 (E_RNA)
where:
Base-Base interactions energy: -1202.649
where: short stacking energy: -493.502
Base-Backbone interact. energy: -1.177
local terms energy: -476.359441
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -87.577
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -119.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1681.284479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.284479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.284479 (E_RNA)
where:
Base-Base interactions energy: -1170.839
where: short stacking energy: -501.826
Base-Backbone interact. energy: -2.256
local terms energy: -508.189188
where:
bonds (distance) C4'-P energy: -95.201
bonds (distance) P-C4' energy: -89.305
flat angles C4'-P-C4' energy: -106.073
flat angles P-C4'-P energy: -74.469
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: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1627.903566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.903566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.903566 (E_RNA)
where:
Base-Base interactions energy: -1156.741
where: short stacking energy: -483.423
Base-Backbone interact. energy: -1.731
local terms energy: -469.431979
where:
bonds (distance) C4'-P energy: -87.870
bonds (distance) P-C4' energy: -81.228
flat angles C4'-P-C4' energy: -105.692
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -135.462
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1514.939667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.939667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.939667 (E_RNA)
where:
Base-Base interactions energy: -1077.391
where: short stacking energy: -440.497
Base-Backbone interact. energy: -0.594
local terms energy: -436.954428
where:
bonds (distance) C4'-P energy: -84.830
bonds (distance) P-C4' energy: -89.217
flat angles C4'-P-C4' energy: -95.013
flat angles P-C4'-P energy: -62.399
tors. eta vs tors. theta energy: -105.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1443.614771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.614771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.614771 (E_RNA)
where:
Base-Base interactions energy: -1020.450
where: short stacking energy: -430.854
Base-Backbone interact. energy: -3.230
local terms energy: -419.934592
where:
bonds (distance) C4'-P energy: -73.424
bonds (distance) P-C4' energy: -88.041
flat angles C4'-P-C4' energy: -97.260
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -114.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1409.939461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.939461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.939461 (E_RNA)
where:
Base-Base interactions energy: -980.977
where: short stacking energy: -427.535
Base-Backbone interact. energy: -1.164
local terms energy: -427.797639
where:
bonds (distance) C4'-P energy: -82.197
bonds (distance) P-C4' energy: -84.755
flat angles C4'-P-C4' energy: -92.411
flat angles P-C4'-P energy: -61.440
tors. eta vs tors. theta energy: -106.995
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1339.913397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.913397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.913397 (E_RNA)
where:
Base-Base interactions energy: -923.431
where: short stacking energy: -393.765
Base-Backbone interact. energy: 1.657
local terms energy: -418.139811
where:
bonds (distance) C4'-P energy: -73.918
bonds (distance) P-C4' energy: -76.380
flat angles C4'-P-C4' energy: -96.525
flat angles P-C4'-P energy: -65.559
tors. eta vs tors. theta energy: -105.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -989.580797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.580797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.580797 (E_RNA)
where:
Base-Base interactions energy: -644.730
where: short stacking energy: -293.433
Base-Backbone interact. energy: -0.461
local terms energy: -344.390311
where:
bonds (distance) C4'-P energy: -66.352
bonds (distance) P-C4' energy: -75.620
flat angles C4'-P-C4' energy: -90.891
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -901.712476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.712476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.712476 (E_RNA)
where:
Base-Base interactions energy: -574.172
where: short stacking energy: -245.555
Base-Backbone interact. energy: 2.081
local terms energy: -329.621185
where:
bonds (distance) C4'-P energy: -83.682
bonds (distance) P-C4' energy: -72.279
flat angles C4'-P-C4' energy: -83.061
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -42.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1807.491820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.491820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.491820 (E_RNA)
where:
Base-Base interactions energy: -1290.187
where: short stacking energy: -535.947
Base-Backbone interact. energy: 0.081
local terms energy: -517.385313
where:
bonds (distance) C4'-P energy: -95.582
bonds (distance) P-C4' energy: -88.508
flat angles C4'-P-C4' energy: -107.813
flat angles P-C4'-P energy: -79.223
tors. eta vs tors. theta energy: -146.258
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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1743.393288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.393288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.393288 (E_RNA)
where:
Base-Base interactions energy: -1200.257
where: short stacking energy: -527.043
Base-Backbone interact. energy: -3.736
local terms energy: -539.400405
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -110.161
flat angles P-C4'-P energy: -79.545
tors. eta vs tors. theta energy: -150.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1638.036418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.036418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.036418 (E_RNA)
where:
Base-Base interactions energy: -1147.584
where: short stacking energy: -461.999
Base-Backbone interact. energy: -4.222
local terms energy: -486.230732
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -83.769
flat angles C4'-P-C4' energy: -116.287
flat angles P-C4'-P energy: -68.181
tors. eta vs tors. theta energy: -133.219
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1660.925144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.925144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.925144 (E_RNA)
where:
Base-Base interactions energy: -1185.569
where: short stacking energy: -504.821
Base-Backbone interact. energy: -1.045
local terms energy: -474.310827
where:
bonds (distance) C4'-P energy: -79.951
bonds (distance) P-C4' energy: -84.987
flat angles C4'-P-C4' energy: -104.184
flat angles P-C4'-P energy: -67.325
tors. eta vs tors. theta energy: -137.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1509.293682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.293682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.293682 (E_RNA)
where:
Base-Base interactions energy: -1049.618
where: short stacking energy: -447.763
Base-Backbone interact. energy: -2.622
local terms energy: -457.053168
where:
bonds (distance) C4'-P energy: -88.058
bonds (distance) P-C4' energy: -77.215
flat angles C4'-P-C4' energy: -99.255
flat angles P-C4'-P energy: -77.761
tors. eta vs tors. theta energy: -114.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1424.884701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.884701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.884701 (E_RNA)
where:
Base-Base interactions energy: -975.693
where: short stacking energy: -432.575
Base-Backbone interact. energy: -1.850
local terms energy: -447.342396
where:
bonds (distance) C4'-P energy: -75.389
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -97.563
flat angles P-C4'-P energy: -60.137
tors. eta vs tors. theta energy: -116.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1390.747361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.747361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.747361 (E_RNA)
where:
Base-Base interactions energy: -954.406
where: short stacking energy: -388.865
Base-Backbone interact. energy: 0.013
local terms energy: -436.354687
where:
bonds (distance) C4'-P energy: -81.837
bonds (distance) P-C4' energy: -94.250
flat angles C4'-P-C4' energy: -91.383
flat angles P-C4'-P energy: -67.794
tors. eta vs tors. theta energy: -101.091
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1341.055846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.055846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.055846 (E_RNA)
where:
Base-Base interactions energy: -921.923
where: short stacking energy: -402.733
Base-Backbone interact. energy: 2.635
local terms energy: -421.767304
where:
bonds (distance) C4'-P energy: -88.398
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -97.585
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -106.018
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: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1066.688400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.688400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.688400 (E_RNA)
where:
Base-Base interactions energy: -718.496
where: short stacking energy: -319.407
Base-Backbone interact. energy: -2.568
local terms energy: -345.624312
where:
bonds (distance) C4'-P energy: -78.186
bonds (distance) P-C4' energy: -78.390
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -51.417
tors. eta vs tors. theta energy: -66.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -781.293875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.293875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.293875 (E_RNA)
where:
Base-Base interactions energy: -500.866
where: short stacking energy: -229.055
Base-Backbone interact. energy: -1.806
local terms energy: -278.621383
where:
bonds (distance) C4'-P energy: -71.843
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -83.133
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1804.272713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.272713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.272713 (E_RNA)
where:
Base-Base interactions energy: -1254.720
where: short stacking energy: -538.659
Base-Backbone interact. energy: 2.849
local terms energy: -552.401863
where:
bonds (distance) C4'-P energy: -98.725
bonds (distance) P-C4' energy: -106.366
flat angles C4'-P-C4' energy: -112.986
flat angles P-C4'-P energy: -82.897
tors. eta vs tors. theta energy: -151.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1757.780166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.780166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.780166 (E_RNA)
where:
Base-Base interactions energy: -1247.293
where: short stacking energy: -515.817
Base-Backbone interact. energy: -2.669
local terms energy: -507.818250
where:
bonds (distance) C4'-P energy: -86.383
bonds (distance) P-C4' energy: -93.094
flat angles C4'-P-C4' energy: -111.098
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: -150.780
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1640.048106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.048106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.048106 (E_RNA)
where:
Base-Base interactions energy: -1127.852
where: short stacking energy: -493.283
Base-Backbone interact. energy: -1.931
local terms energy: -510.265029
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -86.404
flat angles C4'-P-C4' energy: -117.234
flat angles P-C4'-P energy: -70.989
tors. eta vs tors. theta energy: -133.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1674.929417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.929417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.929417 (E_RNA)
where:
Base-Base interactions energy: -1189.360
where: short stacking energy: -495.215
Base-Backbone interact. energy: -1.907
local terms energy: -483.662645
where:
bonds (distance) C4'-P energy: -88.861
bonds (distance) P-C4' energy: -96.847
flat angles C4'-P-C4' energy: -101.467
flat angles P-C4'-P energy: -52.207
tors. eta vs tors. theta energy: -144.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1548.746553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.746553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.746553 (E_RNA)
where:
Base-Base interactions energy: -1084.424
where: short stacking energy: -442.767
Base-Backbone interact. energy: -1.322
local terms energy: -462.999937
where:
bonds (distance) C4'-P energy: -85.806
bonds (distance) P-C4' energy: -86.425
flat angles C4'-P-C4' energy: -110.318
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -112.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1393.566769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.566769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.566769 (E_RNA)
where:
Base-Base interactions energy: -951.909
where: short stacking energy: -399.164
Base-Backbone interact. energy: -2.777
local terms energy: -438.880194
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -100.163
flat angles P-C4'-P energy: -64.183
tors. eta vs tors. theta energy: -101.975
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: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1446.281798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.281798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.281798 (E_RNA)
where:
Base-Base interactions energy: -1008.135
where: short stacking energy: -435.057
Base-Backbone interact. energy: -0.785
local terms energy: -437.362137
where:
bonds (distance) C4'-P energy: -64.912
bonds (distance) P-C4' energy: -82.514
flat angles C4'-P-C4' energy: -104.946
flat angles P-C4'-P energy: -60.128
tors. eta vs tors. theta energy: -124.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1288.755177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.755177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.755177 (E_RNA)
where:
Base-Base interactions energy: -874.747
where: short stacking energy: -364.645
Base-Backbone interact. energy: -2.084
local terms energy: -411.924235
where:
bonds (distance) C4'-P energy: -87.183
bonds (distance) P-C4' energy: -77.470
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -58.798
tors. eta vs tors. theta energy: -93.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1028.484750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.484750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.484750 (E_RNA)
where:
Base-Base interactions energy: -675.097
where: short stacking energy: -313.397
Base-Backbone interact. energy: 0.925
local terms energy: -354.311950
where:
bonds (distance) C4'-P energy: -84.490
bonds (distance) P-C4' energy: -75.781
flat angles C4'-P-C4' energy: -77.885
flat angles P-C4'-P energy: -56.522
tors. eta vs tors. theta energy: -59.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -969.588141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.588141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.588141 (E_RNA)
where:
Base-Base interactions energy: -638.924
where: short stacking energy: -271.169
Base-Backbone interact. energy: 1.044
local terms energy: -331.708675
where:
bonds (distance) C4'-P energy: -82.817
bonds (distance) P-C4' energy: -80.045
flat angles C4'-P-C4' energy: -68.029
flat angles P-C4'-P energy: -48.392
tors. eta vs tors. theta energy: -52.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1797.938086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.938086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.938086 (E_RNA)
where:
Base-Base interactions energy: -1251.719
where: short stacking energy: -530.626
Base-Backbone interact. energy: -3.033
local terms energy: -543.185914
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -109.629
flat angles C4'-P-C4' energy: -112.906
flat angles P-C4'-P energy: -74.634
tors. eta vs tors. theta energy: -147.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1730.625568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.625568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.625568 (E_RNA)
where:
Base-Base interactions energy: -1199.153
where: short stacking energy: -522.684
Base-Backbone interact. energy: -1.199
local terms energy: -530.273158
where:
bonds (distance) C4'-P energy: -100.509
bonds (distance) P-C4' energy: -97.831
flat angles C4'-P-C4' energy: -109.477
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -150.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1659.638312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.638312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.638312 (E_RNA)
where:
Base-Base interactions energy: -1160.588
where: short stacking energy: -485.211
Base-Backbone interact. energy: -0.084
local terms energy: -498.966374
where:
bonds (distance) C4'-P energy: -96.573
bonds (distance) P-C4' energy: -83.826
flat angles C4'-P-C4' energy: -117.158
flat angles P-C4'-P energy: -73.760
tors. eta vs tors. theta energy: -127.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1714.509810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.509810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.509810 (E_RNA)
where:
Base-Base interactions energy: -1216.739
where: short stacking energy: -510.380
Base-Backbone interact. energy: -1.434
local terms energy: -496.336768
where:
bonds (distance) C4'-P energy: -79.077
bonds (distance) P-C4' energy: -86.864
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -72.421
tors. eta vs tors. theta energy: -147.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1502.013214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.013214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.013214 (E_RNA)
where:
Base-Base interactions energy: -1082.512
where: short stacking energy: -438.493
Base-Backbone interact. energy: -3.332
local terms energy: -416.169049
where:
bonds (distance) C4'-P energy: -64.088
bonds (distance) P-C4' energy: -91.584
flat angles C4'-P-C4' energy: -92.056
flat angles P-C4'-P energy: -55.792
tors. eta vs tors. theta energy: -112.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1466.029164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.029164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.029164 (E_RNA)
where:
Base-Base interactions energy: -1006.515
where: short stacking energy: -418.191
Base-Backbone interact. energy: -3.257
local terms energy: -456.257130
where:
bonds (distance) C4'-P energy: -77.584
bonds (distance) P-C4' energy: -84.601
flat angles C4'-P-C4' energy: -98.436
flat angles P-C4'-P energy: -68.434
tors. eta vs tors. theta energy: -127.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1337.962192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.962192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.962192 (E_RNA)
where:
Base-Base interactions energy: -914.347
where: short stacking energy: -382.774
Base-Backbone interact. energy: 5.200
local terms energy: -428.815504
where:
bonds (distance) C4'-P energy: -68.546
bonds (distance) P-C4' energy: -89.480
flat angles C4'-P-C4' energy: -96.836
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -100.266
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1332.175145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.175145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.175145 (E_RNA)
where:
Base-Base interactions energy: -911.847
where: short stacking energy: -379.332
Base-Backbone interact. energy: -3.949
local terms energy: -416.379089
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -84.973
flat angles C4'-P-C4' energy: -88.102
flat angles P-C4'-P energy: -66.785
tors. eta vs tors. theta energy: -104.666
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: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1031.292386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.292386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.292386 (E_RNA)
where:
Base-Base interactions energy: -678.383
where: short stacking energy: -309.215
Base-Backbone interact. energy: 0.538
local terms energy: -353.446882
where:
bonds (distance) C4'-P energy: -73.622
bonds (distance) P-C4' energy: -78.440
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -53.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -981.207310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.207310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.207310 (E_RNA)
where:
Base-Base interactions energy: -668.195
where: short stacking energy: -303.686
Base-Backbone interact. energy: 0.420
local terms energy: -313.432906
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -83.262
flat angles C4'-P-C4' energy: -68.941
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -57.067
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1791.610864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.610864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.610864 (E_RNA)
where:
Base-Base interactions energy: -1252.950
where: short stacking energy: -534.479
Base-Backbone interact. energy: -0.084
local terms energy: -538.577015
where:
bonds (distance) C4'-P energy: -105.650
bonds (distance) P-C4' energy: -105.240
flat angles C4'-P-C4' energy: -109.262
flat angles P-C4'-P energy: -68.371
tors. eta vs tors. theta energy: -150.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1748.652593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.652593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.652593 (E_RNA)
where:
Base-Base interactions energy: -1224.527
where: short stacking energy: -512.279
Base-Backbone interact. energy: -1.011
local terms energy: -523.114849
where:
bonds (distance) C4'-P energy: -77.929
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -115.153
flat angles P-C4'-P energy: -84.465
tors. eta vs tors. theta energy: -150.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1725.161821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.161821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.161821 (E_RNA)
where:
Base-Base interactions energy: -1177.649
where: short stacking energy: -514.941
Base-Backbone interact. energy: -2.904
local terms energy: -544.609108
where:
bonds (distance) C4'-P energy: -100.885
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -82.070
tors. eta vs tors. theta energy: -152.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1606.841234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.841234 (E_RNA)
where:
Base-Base interactions energy: -1112.805
where: short stacking energy: -461.452
Base-Backbone interact. energy: -2.316
local terms energy: -491.720239
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -107.458
flat angles P-C4'-P energy: -80.950
tors. eta vs tors. theta energy: -120.373
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1476.578162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.578162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.578162 (E_RNA)
where:
Base-Base interactions energy: -1053.310
where: short stacking energy: -438.064
Base-Backbone interact. energy: -1.474
local terms energy: -421.795087
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -76.838
flat angles C4'-P-C4' energy: -91.726
flat angles P-C4'-P energy: -67.999
tors. eta vs tors. theta energy: -105.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1485.409996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.409996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.409996 (E_RNA)
where:
Base-Base interactions energy: -1032.343
where: short stacking energy: -453.851
Base-Backbone interact. energy: 0.040
local terms energy: -453.106518
where:
bonds (distance) C4'-P energy: -79.752
bonds (distance) P-C4' energy: -78.806
flat angles C4'-P-C4' energy: -106.491
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -129.935
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: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1354.999783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.999783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.999783 (E_RNA)
where:
Base-Base interactions energy: -920.080
where: short stacking energy: -383.971
Base-Backbone interact. energy: -0.960
local terms energy: -433.959643
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -86.014
flat angles C4'-P-C4' energy: -95.786
flat angles P-C4'-P energy: -69.323
tors. eta vs tors. theta energy: -105.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1349.051057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.051057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.051057 (E_RNA)
where:
Base-Base interactions energy: -969.236
where: short stacking energy: -408.810
Base-Backbone interact. energy: -1.644
local terms energy: -378.171009
where:
bonds (distance) C4'-P energy: -67.152
bonds (distance) P-C4' energy: -73.266
flat angles C4'-P-C4' energy: -89.818
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -98.679
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: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1063.708180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.708180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.708180 (E_RNA)
where:
Base-Base interactions energy: -711.904
where: short stacking energy: -303.124
Base-Backbone interact. energy: 0.243
local terms energy: -352.047458
where:
bonds (distance) C4'-P energy: -75.265
bonds (distance) P-C4' energy: -82.948
flat angles C4'-P-C4' energy: -83.437
flat angles P-C4'-P energy: -57.538
tors. eta vs tors. theta energy: -52.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -932.236854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.236854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.236854 (E_RNA)
where:
Base-Base interactions energy: -595.398
where: short stacking energy: -262.566
Base-Backbone interact. energy: -0.354
local terms energy: -336.484938
where:
bonds (distance) C4'-P energy: -79.180
bonds (distance) P-C4' energy: -90.378
flat angles C4'-P-C4' energy: -82.262
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -48.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1787.128930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.128930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.128930 (E_RNA)
where:
Base-Base interactions energy: -1255.811
where: short stacking energy: -535.238
Base-Backbone interact. energy: 3.133
local terms energy: -534.450522
where:
bonds (distance) C4'-P energy: -93.655
bonds (distance) P-C4' energy: -102.784
flat angles C4'-P-C4' energy: -115.001
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -147.693
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: 43
Temperature: 0.950000
Total energy: -1762.917082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.917082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.917082 (E_RNA)
where:
Base-Base interactions energy: -1226.138
where: short stacking energy: -539.695
Base-Backbone interact. energy: -0.629
local terms energy: -536.149706
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -99.383
flat angles C4'-P-C4' energy: -112.586
flat angles P-C4'-P energy: -69.284
tors. eta vs tors. theta energy: -159.265
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1717.613765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.613765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.613765 (E_RNA)
where:
Base-Base interactions energy: -1210.324
where: short stacking energy: -506.904
Base-Backbone interact. energy: -2.535
local terms energy: -504.754626
where:
bonds (distance) C4'-P energy: -84.759
bonds (distance) P-C4' energy: -79.838
flat angles C4'-P-C4' energy: -115.183
flat angles P-C4'-P energy: -71.790
tors. eta vs tors. theta energy: -153.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1593.781582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.781582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.781582 (E_RNA)
where:
Base-Base interactions energy: -1108.300
where: short stacking energy: -468.118
Base-Backbone interact. energy: -4.064
local terms energy: -481.417396
where:
bonds (distance) C4'-P energy: -81.973
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -112.320
flat angles P-C4'-P energy: -69.706
tors. eta vs tors. theta energy: -127.619
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: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1495.919483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.919483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.919483 (E_RNA)
where:
Base-Base interactions energy: -1034.296
where: short stacking energy: -425.964
Base-Backbone interact. energy: -3.101
local terms energy: -458.522104
where:
bonds (distance) C4'-P energy: -77.657
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -103.651
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -111.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1494.528789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.528789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.528789 (E_RNA)
where:
Base-Base interactions energy: -1068.707
where: short stacking energy: -438.274
Base-Backbone interact. energy: -1.856
local terms energy: -423.964853
where:
bonds (distance) C4'-P energy: -67.603
bonds (distance) P-C4' energy: -89.538
flat angles C4'-P-C4' energy: -100.386
flat angles P-C4'-P energy: -59.501
tors. eta vs tors. theta energy: -106.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1313.296559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.296559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.296559 (E_RNA)
where:
Base-Base interactions energy: -904.742
where: short stacking energy: -354.810
Base-Backbone interact. energy: 0.384
local terms energy: -408.937960
where:
bonds (distance) C4'-P energy: -82.197
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -90.092
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -83.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1396.568098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.568098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.568098 (E_RNA)
where:
Base-Base interactions energy: -980.374
where: short stacking energy: -403.711
Base-Backbone interact. energy: -0.386
local terms energy: -415.807606
where:
bonds (distance) C4'-P energy: -70.314
bonds (distance) P-C4' energy: -84.267
flat angles C4'-P-C4' energy: -90.790
flat angles P-C4'-P energy: -57.293
tors. eta vs tors. theta energy: -113.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1019.249516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.249516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.249516 (E_RNA)
where:
Base-Base interactions energy: -657.569
where: short stacking energy: -286.535
Base-Backbone interact. energy: -2.470
local terms energy: -359.209946
where:
bonds (distance) C4'-P energy: -83.169
bonds (distance) P-C4' energy: -89.047
flat angles C4'-P-C4' energy: -79.887
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -54.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -949.071523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.071523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.071523 (E_RNA)
where:
Base-Base interactions energy: -659.090
where: short stacking energy: -270.257
Base-Backbone interact. energy: 1.103
local terms energy: -291.083963
where:
bonds (distance) C4'-P energy: -66.664
bonds (distance) P-C4' energy: -69.477
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -30.995
tors. eta vs tors. theta energy: -52.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1776.195936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.195936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.195936 (E_RNA)
where:
Base-Base interactions energy: -1239.473
where: short stacking energy: -525.293
Base-Backbone interact. energy: -1.062
local terms energy: -535.660738
where:
bonds (distance) C4'-P energy: -103.890
bonds (distance) P-C4' energy: -98.473
flat angles C4'-P-C4' energy: -112.057
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -145.184
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: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1759.794814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.794814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.794814 (E_RNA)
where:
Base-Base interactions energy: -1244.026
where: short stacking energy: -543.682
Base-Backbone interact. energy: -0.914
local terms energy: -514.855624
where:
bonds (distance) C4'-P energy: -94.485
bonds (distance) P-C4' energy: -89.367
flat angles C4'-P-C4' energy: -112.225
flat angles P-C4'-P energy: -64.698
tors. eta vs tors. theta energy: -154.080
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1734.018392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.018392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.018392 (E_RNA)
where:
Base-Base interactions energy: -1214.605
where: short stacking energy: -500.588
Base-Backbone interact. energy: -1.526
local terms energy: -517.887651
where:
bonds (distance) C4'-P energy: -92.409
bonds (distance) P-C4' energy: -90.468
flat angles C4'-P-C4' energy: -112.287
flat angles P-C4'-P energy: -76.019
tors. eta vs tors. theta energy: -146.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1560.625773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.625773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.625773 (E_RNA)
where:
Base-Base interactions energy: -1119.162
where: short stacking energy: -454.343
Base-Backbone interact. energy: -2.880
local terms energy: -438.583735
where:
bonds (distance) C4'-P energy: -82.140
bonds (distance) P-C4' energy: -68.389
flat angles C4'-P-C4' energy: -106.084
flat angles P-C4'-P energy: -61.742
tors. eta vs tors. theta energy: -120.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1528.726532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.726532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.726532 (E_RNA)
where:
Base-Base interactions energy: -1067.550
where: short stacking energy: -464.960
Base-Backbone interact. energy: -1.892
local terms energy: -459.285108
where:
bonds (distance) C4'-P energy: -82.535
bonds (distance) P-C4' energy: -65.550
flat angles C4'-P-C4' energy: -99.500
flat angles P-C4'-P energy: -79.146
tors. eta vs tors. theta energy: -132.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1500.282405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.282405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.282405 (E_RNA)
where:
Base-Base interactions energy: -1055.133
where: short stacking energy: -436.991
Base-Backbone interact. energy: -2.216
local terms energy: -442.933300
where:
bonds (distance) C4'-P energy: -75.171
bonds (distance) P-C4' energy: -90.952
flat angles C4'-P-C4' energy: -97.858
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -117.164
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: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1421.910391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.910391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.910391 (E_RNA)
where:
Base-Base interactions energy: -1008.808
where: short stacking energy: -424.020
Base-Backbone interact. energy: 1.920
local terms energy: -415.021678
where:
bonds (distance) C4'-P energy: -74.483
bonds (distance) P-C4' energy: -74.331
flat angles C4'-P-C4' energy: -91.666
flat angles P-C4'-P energy: -57.057
tors. eta vs tors. theta energy: -117.484
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: 44
Temperature: 1.250000
Total energy: -1249.847287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.847287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.847287 (E_RNA)
where:
Base-Base interactions energy: -879.025
where: short stacking energy: -352.381
Base-Backbone interact. energy: -2.468
local terms energy: -368.353707
where:
bonds (distance) C4'-P energy: -75.358
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -76.453
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -66.489
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: 44
Temperature: 1.300000
Total energy: -1048.382951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.382951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.382951 (E_RNA)
where:
Base-Base interactions energy: -686.001
where: short stacking energy: -299.987
Base-Backbone interact. energy: 2.017
local terms energy: -364.399285
where:
bonds (distance) C4'-P energy: -69.573
bonds (distance) P-C4' energy: -84.273
flat angles C4'-P-C4' energy: -81.659
flat angles P-C4'-P energy: -54.172
tors. eta vs tors. theta energy: -74.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -956.094878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.094878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.094878 (E_RNA)
where:
Base-Base interactions energy: -617.782
where: short stacking energy: -281.331
Base-Backbone interact. energy: -0.753
local terms energy: -337.559937
where:
bonds (distance) C4'-P energy: -74.992
bonds (distance) P-C4' energy: -86.813
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -60.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1765.375139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.375139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.375139 (E_RNA)
where:
Base-Base interactions energy: -1243.726
where: short stacking energy: -526.455
Base-Backbone interact. energy: -0.886
local terms energy: -520.762575
where:
bonds (distance) C4'-P energy: -78.452
bonds (distance) P-C4' energy: -97.927
flat angles C4'-P-C4' energy: -121.398
flat angles P-C4'-P energy: -70.099
tors. eta vs tors. theta energy: -152.886
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: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1768.709866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.709866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.709866 (E_RNA)
where:
Base-Base interactions energy: -1265.583
where: short stacking energy: -519.503
Base-Backbone interact. energy: -1.725
local terms energy: -501.401624
where:
bonds (distance) C4'-P energy: -101.578
bonds (distance) P-C4' energy: -83.864
flat angles C4'-P-C4' energy: -101.827
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -145.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1707.528499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.528499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.528499 (E_RNA)
where:
Base-Base interactions energy: -1222.384
where: short stacking energy: -518.908
Base-Backbone interact. energy: -2.562
local terms energy: -482.582435
where:
bonds (distance) C4'-P energy: -85.664
bonds (distance) P-C4' energy: -81.010
flat angles C4'-P-C4' energy: -98.773
flat angles P-C4'-P energy: -67.758
tors. eta vs tors. theta energy: -149.378
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: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1590.905601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.905601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.905601 (E_RNA)
where:
Base-Base interactions energy: -1089.867
where: short stacking energy: -453.472
Base-Backbone interact. energy: -0.717
local terms energy: -500.322240
where:
bonds (distance) C4'-P energy: -92.702
bonds (distance) P-C4' energy: -102.897
flat angles C4'-P-C4' energy: -99.137
flat angles P-C4'-P energy: -75.048
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1554.855073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.855073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.855073 (E_RNA)
where:
Base-Base interactions energy: -1094.487
where: short stacking energy: -450.234
Base-Backbone interact. energy: -2.214
local terms energy: -458.154789
where:
bonds (distance) C4'-P energy: -76.724
bonds (distance) P-C4' energy: -82.605
flat angles C4'-P-C4' energy: -103.900
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -128.500
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: 45
Temperature: 1.150000
Total energy: -1476.321036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.321036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.321036 (E_RNA)
where:
Base-Base interactions energy: -1058.018
where: short stacking energy: -423.682
Base-Backbone interact. energy: 1.059
local terms energy: -419.361967
where:
bonds (distance) C4'-P energy: -82.812
bonds (distance) P-C4' energy: -71.740
flat angles C4'-P-C4' energy: -91.477
flat angles P-C4'-P energy: -63.105
tors. eta vs tors. theta energy: -110.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1428.163097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.163097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.163097 (E_RNA)
where:
Base-Base interactions energy: -1009.296
where: short stacking energy: -411.029
Base-Backbone interact. energy: 1.714
local terms energy: -420.580878
where:
bonds (distance) C4'-P energy: -74.697
bonds (distance) P-C4' energy: -87.438
flat angles C4'-P-C4' energy: -86.464
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -106.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1214.473401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.473401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.473401 (E_RNA)
where:
Base-Base interactions energy: -842.081
where: short stacking energy: -337.727
Base-Backbone interact. energy: 1.577
local terms energy: -373.968573
where:
bonds (distance) C4'-P energy: -78.105
bonds (distance) P-C4' energy: -80.804
flat angles C4'-P-C4' energy: -98.027
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -80.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1009.316788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.316788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.316788 (E_RNA)
where:
Base-Base interactions energy: -665.232
where: short stacking energy: -296.712
Base-Backbone interact. energy: -1.614
local terms energy: -342.470226
where:
bonds (distance) C4'-P energy: -73.870
bonds (distance) P-C4' energy: -87.122
flat angles C4'-P-C4' energy: -75.426
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -61.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1024.255009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.255009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.255009 (E_RNA)
where:
Base-Base interactions energy: -677.923
where: short stacking energy: -293.686
Base-Backbone interact. energy: -1.020
local terms energy: -345.311193
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -80.578
flat angles C4'-P-C4' energy: -72.404
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -76.079
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: 46
Temperature: 0.900000
Total energy: -1797.636770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.636770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.636770 (E_RNA)
where:
Base-Base interactions energy: -1253.664
where: short stacking energy: -520.575
Base-Backbone interact. energy: -1.672
local terms energy: -542.300334
where:
bonds (distance) C4'-P energy: -102.494
bonds (distance) P-C4' energy: -98.472
flat angles C4'-P-C4' energy: -111.868
flat angles P-C4'-P energy: -74.369
tors. eta vs tors. theta energy: -155.098
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: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1760.206302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.206302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.206302 (E_RNA)
where:
Base-Base interactions energy: -1243.107
where: short stacking energy: -514.202
Base-Backbone interact. energy: -0.677
local terms energy: -516.422629
where:
bonds (distance) C4'-P energy: -87.242
bonds (distance) P-C4' energy: -96.646
flat angles C4'-P-C4' energy: -103.303
flat angles P-C4'-P energy: -79.691
tors. eta vs tors. theta energy: -149.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1739.481406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.481406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.481406 (E_RNA)
where:
Base-Base interactions energy: -1223.255
where: short stacking energy: -527.252
Base-Backbone interact. energy: 0.316
local terms energy: -516.542942
where:
bonds (distance) C4'-P energy: -84.448
bonds (distance) P-C4' energy: -85.029
flat angles C4'-P-C4' energy: -121.514
flat angles P-C4'-P energy: -72.577
tors. eta vs tors. theta energy: -152.976
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: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1583.138485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.138485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.138485 (E_RNA)
where:
Base-Base interactions energy: -1094.701
where: short stacking energy: -454.737
Base-Backbone interact. energy: 0.064
local terms energy: -488.501249
where:
bonds (distance) C4'-P energy: -99.728
bonds (distance) P-C4' energy: -93.954
flat angles C4'-P-C4' energy: -105.518
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -126.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1562.032847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.032847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.032847 (E_RNA)
where:
Base-Base interactions energy: -1108.099
where: short stacking energy: -460.249
Base-Backbone interact. energy: 2.884
local terms energy: -456.818551
where:
bonds (distance) C4'-P energy: -89.662
bonds (distance) P-C4' energy: -83.203
flat angles C4'-P-C4' energy: -110.564
flat angles P-C4'-P energy: -63.336
tors. eta vs tors. theta energy: -110.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1479.721839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.721839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.721839 (E_RNA)
where:
Base-Base interactions energy: -1047.680
where: short stacking energy: -427.132
Base-Backbone interact. energy: 0.163
local terms energy: -432.204559
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -87.031
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -119.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1411.204303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.204303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.204303 (E_RNA)
where:
Base-Base interactions energy: -973.204
where: short stacking energy: -383.935
Base-Backbone interact. energy: -1.731
local terms energy: -436.268748
where:
bonds (distance) C4'-P energy: -94.284
bonds (distance) P-C4' energy: -87.494
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -63.573
tors. eta vs tors. theta energy: -105.120
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: 46
Temperature: 1.250000
Total energy: -1219.335206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.335206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.335206 (E_RNA)
where:
Base-Base interactions energy: -825.886
where: short stacking energy: -360.955
Base-Backbone interact. energy: 1.361
local terms energy: -394.811088
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -73.277
flat angles C4'-P-C4' energy: -84.634
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -87.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1059.509495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.509495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.509495 (E_RNA)
where:
Base-Base interactions energy: -709.040
where: short stacking energy: -312.410
Base-Backbone interact. energy: -1.318
local terms energy: -349.151278
where:
bonds (distance) C4'-P energy: -80.782
bonds (distance) P-C4' energy: -75.684
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -40.199
tors. eta vs tors. theta energy: -71.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1009.939126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.939126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.939126 (E_RNA)
where:
Base-Base interactions energy: -708.026
where: short stacking energy: -310.852
Base-Backbone interact. energy: 0.188
local terms energy: -302.100316
where:
bonds (distance) C4'-P energy: -60.183
bonds (distance) P-C4' energy: -66.269
flat angles C4'-P-C4' energy: -70.030
flat angles P-C4'-P energy: -48.599
tors. eta vs tors. theta energy: -57.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1812.911819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.911819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.911819 (E_RNA)
where:
Base-Base interactions energy: -1280.066
where: short stacking energy: -541.083
Base-Backbone interact. energy: -3.668
local terms energy: -529.177865
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -109.839
flat angles C4'-P-C4' energy: -111.867
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -149.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1740.424619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.424619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.424619 (E_RNA)
where:
Base-Base interactions energy: -1219.613
where: short stacking energy: -535.851
Base-Backbone interact. energy: -1.673
local terms energy: -519.139164
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -85.208
flat angles C4'-P-C4' energy: -109.861
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -158.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1771.288869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.288869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.288869 (E_RNA)
where:
Base-Base interactions energy: -1240.186
where: short stacking energy: -533.433
Base-Backbone interact. energy: -1.389
local terms energy: -529.713123
where:
bonds (distance) C4'-P energy: -93.792
bonds (distance) P-C4' energy: -94.286
flat angles C4'-P-C4' energy: -112.845
flat angles P-C4'-P energy: -76.273
tors. eta vs tors. theta energy: -152.517
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: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1558.053242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.053242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.053242 (E_RNA)
where:
Base-Base interactions energy: -1100.215
where: short stacking energy: -485.890
Base-Backbone interact. energy: 0.218
local terms energy: -458.055907
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -95.161
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -126.204
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: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1545.774522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.774522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.774522 (E_RNA)
where:
Base-Base interactions energy: -1081.949
where: short stacking energy: -459.592
Base-Backbone interact. energy: -0.929
local terms energy: -462.896957
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -84.260
flat angles C4'-P-C4' energy: -93.562
flat angles P-C4'-P energy: -67.768
tors. eta vs tors. theta energy: -127.373
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: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1441.171593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.171593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.171593 (E_RNA)
where:
Base-Base interactions energy: -1024.264
where: short stacking energy: -401.403
Base-Backbone interact. energy: -3.261
local terms energy: -413.646823
where:
bonds (distance) C4'-P energy: -75.889
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -93.687
flat angles P-C4'-P energy: -54.910
tors. eta vs tors. theta energy: -96.141
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1423.905097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.905097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.905097 (E_RNA)
where:
Base-Base interactions energy: -1012.807
where: short stacking energy: -409.859
Base-Backbone interact. energy: -1.850
local terms energy: -409.248303
where:
bonds (distance) C4'-P energy: -86.577
bonds (distance) P-C4' energy: -78.581
flat angles C4'-P-C4' energy: -86.382
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -112.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1126.301660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.301660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.301660 (E_RNA)
where:
Base-Base interactions energy: -761.660
where: short stacking energy: -308.730
Base-Backbone interact. energy: 1.388
local terms energy: -366.029163
where:
bonds (distance) C4'-P energy: -93.393
bonds (distance) P-C4' energy: -80.865
flat angles C4'-P-C4' energy: -79.647
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -68.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1024.415746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.415746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.415746 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -286.040
Base-Backbone interact. energy: 1.322
local terms energy: -333.376508
where:
bonds (distance) C4'-P energy: -74.861
bonds (distance) P-C4' energy: -68.974
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -64.069
tors. eta vs tors. theta energy: -61.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -963.719360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.719360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.719360 (E_RNA)
where:
Base-Base interactions energy: -629.672
where: short stacking energy: -300.613
Base-Backbone interact. energy: -0.218
local terms energy: -333.830085
where:
bonds (distance) C4'-P energy: -73.287
bonds (distance) P-C4' energy: -76.546
flat angles C4'-P-C4' energy: -79.366
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -55.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1832.775877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.775877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.775877 (E_RNA)
where:
Base-Base interactions energy: -1293.596
where: short stacking energy: -514.222
Base-Backbone interact. energy: -2.032
local terms energy: -537.147493
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -107.214
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -155.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1734.160268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.160268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.160268 (E_RNA)
where:
Base-Base interactions energy: -1214.644
where: short stacking energy: -527.460
Base-Backbone interact. energy: -0.745
local terms energy: -518.772103
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -92.803
flat angles C4'-P-C4' energy: -103.546
flat angles P-C4'-P energy: -77.263
tors. eta vs tors. theta energy: -157.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1737.164368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.164368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.164368 (E_RNA)
where:
Base-Base interactions energy: -1209.830
where: short stacking energy: -488.198
Base-Backbone interact. energy: -0.418
local terms energy: -526.916682
where:
bonds (distance) C4'-P energy: -95.421
bonds (distance) P-C4' energy: -95.955
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -74.279
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: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1556.841556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.841556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.841556 (E_RNA)
where:
Base-Base interactions energy: -1075.758
where: short stacking energy: -465.269
Base-Backbone interact. energy: -0.979
local terms energy: -480.104606
where:
bonds (distance) C4'-P energy: -84.629
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -108.276
flat angles P-C4'-P energy: -68.989
tors. eta vs tors. theta energy: -125.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1512.591381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.591381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.591381 (E_RNA)
where:
Base-Base interactions energy: -1045.190
where: short stacking energy: -435.219
Base-Backbone interact. energy: -0.716
local terms energy: -466.684598
where:
bonds (distance) C4'-P energy: -81.513
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -96.041
flat angles P-C4'-P energy: -79.966
tors. eta vs tors. theta energy: -115.553
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: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1422.240272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.240272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.240272 (E_RNA)
where:
Base-Base interactions energy: -1004.961
where: short stacking energy: -404.774
Base-Backbone interact. energy: -0.071
local terms energy: -417.208788
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -86.114
flat angles C4'-P-C4' energy: -94.501
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -103.750
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: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1422.235410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.235410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.235410 (E_RNA)
where:
Base-Base interactions energy: -993.825
where: short stacking energy: -403.144
Base-Backbone interact. energy: -2.342
local terms energy: -426.068965
where:
bonds (distance) C4'-P energy: -79.652
bonds (distance) P-C4' energy: -75.011
flat angles C4'-P-C4' energy: -90.185
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -120.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1170.038126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.038126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.038126 (E_RNA)
where:
Base-Base interactions energy: -799.210
where: short stacking energy: -342.125
Base-Backbone interact. energy: -0.274
local terms energy: -370.554264
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -84.869
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -67.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1024.554074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.554074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.554074 (E_RNA)
where:
Base-Base interactions energy: -721.336
where: short stacking energy: -310.079
Base-Backbone interact. energy: -0.275
local terms energy: -302.942787
where:
bonds (distance) C4'-P energy: -68.547
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -55.493
flat angles P-C4'-P energy: -44.811
tors. eta vs tors. theta energy: -61.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -979.643091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.643091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.643091 (E_RNA)
where:
Base-Base interactions energy: -647.687
where: short stacking energy: -276.431
Base-Backbone interact. energy: -0.730
local terms energy: -331.225283
where:
bonds (distance) C4'-P energy: -58.340
bonds (distance) P-C4' energy: -72.005
flat angles C4'-P-C4' energy: -87.181
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -62.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1814.017631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.017631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.017631 (E_RNA)
where:
Base-Base interactions energy: -1291.333
where: short stacking energy: -535.389
Base-Backbone interact. energy: -1.584
local terms energy: -521.100670
where:
bonds (distance) C4'-P energy: -94.107
bonds (distance) P-C4' energy: -91.209
flat angles C4'-P-C4' energy: -112.496
flat angles P-C4'-P energy: -68.100
tors. eta vs tors. theta energy: -155.188
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: 49
Temperature: 0.950000
Total energy: -1752.719133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.719133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.719133 (E_RNA)
where:
Base-Base interactions energy: -1213.041
where: short stacking energy: -512.989
Base-Backbone interact. energy: -2.566
local terms energy: -537.112154
where:
bonds (distance) C4'-P energy: -100.132
bonds (distance) P-C4' energy: -91.631
flat angles C4'-P-C4' energy: -117.306
flat angles P-C4'-P energy: -83.385
tors. eta vs tors. theta energy: -144.658
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1702.504103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.504103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.504103 (E_RNA)
where:
Base-Base interactions energy: -1181.008
where: short stacking energy: -514.176
Base-Backbone interact. energy: -2.907
local terms energy: -518.589439
where:
bonds (distance) C4'-P energy: -81.468
bonds (distance) P-C4' energy: -99.029
flat angles C4'-P-C4' energy: -105.872
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -148.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1588.263219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.263219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.263219 (E_RNA)
where:
Base-Base interactions energy: -1097.060
where: short stacking energy: -457.169
Base-Backbone interact. energy: -2.902
local terms energy: -488.301414
where:
bonds (distance) C4'-P energy: -90.900
bonds (distance) P-C4' energy: -103.612
flat angles C4'-P-C4' energy: -109.593
flat angles P-C4'-P energy: -57.048
tors. eta vs tors. theta energy: -127.149
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: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1468.718974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.718974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.718974 (E_RNA)
where:
Base-Base interactions energy: -1017.764
where: short stacking energy: -437.501
Base-Backbone interact. energy: 1.244
local terms energy: -452.199229
where:
bonds (distance) C4'-P energy: -91.049
bonds (distance) P-C4' energy: -81.085
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -73.671
tors. eta vs tors. theta energy: -110.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1449.502752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.502752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.502752 (E_RNA)
where:
Base-Base interactions energy: -1033.694
where: short stacking energy: -424.695
Base-Backbone interact. energy: 1.704
local terms energy: -417.512584
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -90.853
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -101.496
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: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1334.505453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.505453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.505453 (E_RNA)
where:
Base-Base interactions energy: -915.421
where: short stacking energy: -370.142
Base-Backbone interact. energy: 1.934
local terms energy: -421.019091
where:
bonds (distance) C4'-P energy: -84.395
bonds (distance) P-C4' energy: -80.921
flat angles C4'-P-C4' energy: -86.120
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -106.937
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1160.196567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.196567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.196567 (E_RNA)
where:
Base-Base interactions energy: -791.041
where: short stacking energy: -327.057
Base-Backbone interact. energy: 2.485
local terms energy: -371.640649
where:
bonds (distance) C4'-P energy: -67.604
bonds (distance) P-C4' energy: -81.430
flat angles C4'-P-C4' energy: -94.043
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -82.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -902.779399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.779399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.779399 (E_RNA)
where:
Base-Base interactions energy: -580.466
where: short stacking energy: -278.102
Base-Backbone interact. energy: -1.501
local terms energy: -320.812713
where:
bonds (distance) C4'-P energy: -75.239
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -54.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -959.458225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.458225 (E_RNA)
where:
Base-Base interactions energy: -641.377
where: short stacking energy: -270.809
Base-Backbone interact. energy: -1.393
local terms energy: -316.688653
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -77.994
flat angles C4'-P-C4' energy: -73.083
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -63.219
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: 50
Temperature: 0.900000
Total energy: -1806.567464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.567464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.567464 (E_RNA)
where:
Base-Base interactions energy: -1275.486
where: short stacking energy: -518.749
Base-Backbone interact. energy: 0.342
local terms energy: -531.423328
where:
bonds (distance) C4'-P energy: -101.551
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -104.595
flat angles P-C4'-P energy: -76.815
tors. eta vs tors. theta energy: -152.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1758.635291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.635291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.635291 (E_RNA)
where:
Base-Base interactions energy: -1234.642
where: short stacking energy: -514.867
Base-Backbone interact. energy: -2.629
local terms energy: -521.363950
where:
bonds (distance) C4'-P energy: -98.919
bonds (distance) P-C4' energy: -89.511
flat angles C4'-P-C4' energy: -119.657
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: -143.054
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1645.582872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.582872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.582872 (E_RNA)
where:
Base-Base interactions energy: -1167.900
where: short stacking energy: -472.199
Base-Backbone interact. energy: -1.912
local terms energy: -475.770613
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -105.677
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -116.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1617.324033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.324033 (E_RNA)
where:
Base-Base interactions energy: -1139.559
where: short stacking energy: -461.013
Base-Backbone interact. energy: 0.788
local terms energy: -478.553054
where:
bonds (distance) C4'-P energy: -85.419
bonds (distance) P-C4' energy: -84.544
flat angles C4'-P-C4' energy: -107.038
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -130.462
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: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1539.862214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.862214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.862214 (E_RNA)
where:
Base-Base interactions energy: -1077.345
where: short stacking energy: -446.443
Base-Backbone interact. energy: -1.173
local terms energy: -461.344327
where:
bonds (distance) C4'-P energy: -90.940
bonds (distance) P-C4' energy: -89.917
flat angles C4'-P-C4' energy: -105.708
flat angles P-C4'-P energy: -53.644
tors. eta vs tors. theta energy: -121.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1487.892344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.892344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.892344 (E_RNA)
where:
Base-Base interactions energy: -1050.425
where: short stacking energy: -427.863
Base-Backbone interact. energy: -0.752
local terms energy: -436.715272
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -89.127
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -112.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1347.883551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.883551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.883551 (E_RNA)
where:
Base-Base interactions energy: -941.983
where: short stacking energy: -383.605
Base-Backbone interact. energy: -3.218
local terms energy: -402.682643
where:
bonds (distance) C4'-P energy: -87.691
bonds (distance) P-C4' energy: -67.224
flat angles C4'-P-C4' energy: -96.253
flat angles P-C4'-P energy: -63.595
tors. eta vs tors. theta energy: -87.920
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1185.493906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.493906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.493906 (E_RNA)
where:
Base-Base interactions energy: -815.379
where: short stacking energy: -365.806
Base-Backbone interact. energy: -1.910
local terms energy: -368.204414
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -55.274
tors. eta vs tors. theta energy: -85.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -978.890439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.890439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.890439 (E_RNA)
where:
Base-Base interactions energy: -650.998
where: short stacking energy: -289.531
Base-Backbone interact. energy: 1.337
local terms energy: -329.229531
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -72.841
flat angles C4'-P-C4' energy: -79.085
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -54.656
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: 50
Temperature: 1.350000
Total energy: -899.162549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.162549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.162549 (E_RNA)
where:
Base-Base interactions energy: -573.190
where: short stacking energy: -221.266
Base-Backbone interact. energy: -1.255
local terms energy: -324.716927
where:
bonds (distance) C4'-P energy: -89.617
bonds (distance) P-C4' energy: -86.023
flat angles C4'-P-C4' energy: -72.296
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -26.623
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: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1831.154712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.154712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.154712 (E_RNA)
where:
Base-Base interactions energy: -1292.493
where: short stacking energy: -533.177
Base-Backbone interact. energy: -1.871
local terms energy: -536.791055
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -111.145
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -159.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1754.107787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.107787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.107787 (E_RNA)
where:
Base-Base interactions energy: -1241.086
where: short stacking energy: -509.621
Base-Backbone interact. energy: 0.913
local terms energy: -513.934331
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -86.637
flat angles C4'-P-C4' energy: -108.344
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -144.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1645.151479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.151479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.151479 (E_RNA)
where:
Base-Base interactions energy: -1173.025
where: short stacking energy: -482.889
Base-Backbone interact. energy: -1.009
local terms energy: -471.117915
where:
bonds (distance) C4'-P energy: -76.604
bonds (distance) P-C4' energy: -97.872
flat angles C4'-P-C4' energy: -98.964
flat angles P-C4'-P energy: -68.873
tors. eta vs tors. theta energy: -128.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1646.646725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.646725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.646725 (E_RNA)
where:
Base-Base interactions energy: -1135.991
where: short stacking energy: -488.795
Base-Backbone interact. energy: -1.893
local terms energy: -508.762889
where:
bonds (distance) C4'-P energy: -89.457
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -105.450
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -145.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1509.660169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.660169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.660169 (E_RNA)
where:
Base-Base interactions energy: -1053.647
where: short stacking energy: -459.732
Base-Backbone interact. energy: -0.749
local terms energy: -455.264062
where:
bonds (distance) C4'-P energy: -76.390
bonds (distance) P-C4' energy: -85.273
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -129.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1520.293777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.293777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.293777 (E_RNA)
where:
Base-Base interactions energy: -1074.379
where: short stacking energy: -455.837
Base-Backbone interact. energy: -0.166
local terms energy: -445.748236
where:
bonds (distance) C4'-P energy: -80.133
bonds (distance) P-C4' energy: -80.797
flat angles C4'-P-C4' energy: -101.955
flat angles P-C4'-P energy: -59.948
tors. eta vs tors. theta energy: -122.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1340.334061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.334061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.334061 (E_RNA)
where:
Base-Base interactions energy: -925.985
where: short stacking energy: -373.831
Base-Backbone interact. energy: 0.646
local terms energy: -414.994685
where:
bonds (distance) C4'-P energy: -66.924
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -94.862
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -87.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1080.585965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.585965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.585965 (E_RNA)
where:
Base-Base interactions energy: -736.994
where: short stacking energy: -311.692
Base-Backbone interact. energy: -1.202
local terms energy: -342.390671
where:
bonds (distance) C4'-P energy: -57.802
bonds (distance) P-C4' energy: -67.965
flat angles C4'-P-C4' energy: -81.306
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -65.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1216.711653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.711653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.711653 (E_RNA)
where:
Base-Base interactions energy: -860.064
where: short stacking energy: -373.908
Base-Backbone interact. energy: 0.443
local terms energy: -357.090157
where:
bonds (distance) C4'-P energy: -92.566
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -49.785
tors. eta vs tors. theta energy: -96.286
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -930.987121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.987121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.987121 (E_RNA)
where:
Base-Base interactions energy: -614.970
where: short stacking energy: -264.146
Base-Backbone interact. energy: -0.638
local terms energy: -315.378776
where:
bonds (distance) C4'-P energy: -85.161
bonds (distance) P-C4' energy: -75.254
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -35.683
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: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1806.458561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.458561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.458561 (E_RNA)
where:
Base-Base interactions energy: -1270.111
where: short stacking energy: -529.561
Base-Backbone interact. energy: -2.892
local terms energy: -533.455564
where:
bonds (distance) C4'-P energy: -92.187
bonds (distance) P-C4' energy: -96.365
flat angles C4'-P-C4' energy: -113.868
flat angles P-C4'-P energy: -73.349
tors. eta vs tors. theta energy: -157.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1764.303959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.303959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.303959 (E_RNA)
where:
Base-Base interactions energy: -1226.126
where: short stacking energy: -515.313
Base-Backbone interact. energy: 1.396
local terms energy: -539.573614
where:
bonds (distance) C4'-P energy: -88.139
bonds (distance) P-C4' energy: -105.100
flat angles C4'-P-C4' energy: -120.402
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -147.330
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1673.290922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.290922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.290922 (E_RNA)
where:
Base-Base interactions energy: -1173.968
where: short stacking energy: -469.482
Base-Backbone interact. energy: -1.485
local terms energy: -497.837524
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -101.537
flat angles C4'-P-C4' energy: -96.064
flat angles P-C4'-P energy: -76.894
tors. eta vs tors. theta energy: -134.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1608.918087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.918087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.918087 (E_RNA)
where:
Base-Base interactions energy: -1125.230
where: short stacking energy: -461.233
Base-Backbone interact. energy: -1.324
local terms energy: -482.364069
where:
bonds (distance) C4'-P energy: -82.741
bonds (distance) P-C4' energy: -84.787
flat angles C4'-P-C4' energy: -103.328
flat angles P-C4'-P energy: -82.547
tors. eta vs tors. theta energy: -128.962
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1559.835828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.835828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.835828 (E_RNA)
where:
Base-Base interactions energy: -1084.247
where: short stacking energy: -450.014
Base-Backbone interact. energy: -0.825
local terms energy: -474.763290
where:
bonds (distance) C4'-P energy: -85.251
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -107.276
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -124.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1503.390872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.390872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.390872 (E_RNA)
where:
Base-Base interactions energy: -1047.904
where: short stacking energy: -426.526
Base-Backbone interact. energy: -0.207
local terms energy: -455.280680
where:
bonds (distance) C4'-P energy: -91.797
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -107.634
flat angles P-C4'-P energy: -74.243
tors. eta vs tors. theta energy: -117.489
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: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1340.515446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.515446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.515446 (E_RNA)
where:
Base-Base interactions energy: -943.718
where: short stacking energy: -364.728
Base-Backbone interact. energy: -2.844
local terms energy: -393.953830
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -90.600
flat angles C4'-P-C4' energy: -97.522
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -73.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1103.992769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.992769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.992769 (E_RNA)
where:
Base-Base interactions energy: -725.448
where: short stacking energy: -322.105
Base-Backbone interact. energy: -1.347
local terms energy: -377.197691
where:
bonds (distance) C4'-P energy: -77.242
bonds (distance) P-C4' energy: -90.177
flat angles C4'-P-C4' energy: -83.323
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -79.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1208.795463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.795463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.795463 (E_RNA)
where:
Base-Base interactions energy: -838.558
where: short stacking energy: -352.310
Base-Backbone interact. energy: 0.794
local terms energy: -371.031677
where:
bonds (distance) C4'-P energy: -84.691
bonds (distance) P-C4' energy: -73.759
flat angles C4'-P-C4' energy: -81.807
flat angles P-C4'-P energy: -59.590
tors. eta vs tors. theta energy: -71.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -915.142017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.142017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.142017 (E_RNA)
where:
Base-Base interactions energy: -598.113
where: short stacking energy: -264.970
Base-Backbone interact. energy: -0.568
local terms energy: -316.460628
where:
bonds (distance) C4'-P energy: -66.430
bonds (distance) P-C4' energy: -82.388
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -44.757
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1805.611150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.611150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.611150 (E_RNA)
where:
Base-Base interactions energy: -1255.429
where: short stacking energy: -512.035
Base-Backbone interact. energy: -3.301
local terms energy: -546.880899
where:
bonds (distance) C4'-P energy: -100.721
bonds (distance) P-C4' energy: -105.189
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -150.558
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: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1781.991989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.991989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.991989 (E_RNA)
where:
Base-Base interactions energy: -1250.711
where: short stacking energy: -533.214
Base-Backbone interact. energy: -1.714
local terms energy: -529.567088
where:
bonds (distance) C4'-P energy: -92.572
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -99.788
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -157.099
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: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1693.491701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.491701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.491701 (E_RNA)
where:
Base-Base interactions energy: -1184.365
where: short stacking energy: -501.673
Base-Backbone interact. energy: 2.006
local terms energy: -511.133060
where:
bonds (distance) C4'-P energy: -90.722
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -107.641
flat angles P-C4'-P energy: -65.237
tors. eta vs tors. theta energy: -146.044
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: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1641.881130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.881130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.881130 (E_RNA)
where:
Base-Base interactions energy: -1146.625
where: short stacking energy: -455.381
Base-Backbone interact. energy: 0.932
local terms energy: -496.187784
where:
bonds (distance) C4'-P energy: -95.258
bonds (distance) P-C4' energy: -92.689
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -69.242
tors. eta vs tors. theta energy: -129.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1504.297155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.297155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.297155 (E_RNA)
where:
Base-Base interactions energy: -1066.076
where: short stacking energy: -450.801
Base-Backbone interact. energy: 1.226
local terms energy: -439.447248
where:
bonds (distance) C4'-P energy: -76.660
bonds (distance) P-C4' energy: -74.693
flat angles C4'-P-C4' energy: -113.434
flat angles P-C4'-P energy: -53.079
tors. eta vs tors. theta energy: -121.582
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1483.695238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.695238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.695238 (E_RNA)
where:
Base-Base interactions energy: -1041.155
where: short stacking energy: -433.347
Base-Backbone interact. energy: -2.469
local terms energy: -440.070756
where:
bonds (distance) C4'-P energy: -89.509
bonds (distance) P-C4' energy: -73.896
flat angles C4'-P-C4' energy: -96.099
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -114.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1350.935953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.935953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.935953 (E_RNA)
where:
Base-Base interactions energy: -937.343
where: short stacking energy: -396.909
Base-Backbone interact. energy: -2.933
local terms energy: -410.660436
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -69.058
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -64.056
tors. eta vs tors. theta energy: -95.275
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1286.434398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.434398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.434398 (E_RNA)
where:
Base-Base interactions energy: -913.801
where: short stacking energy: -383.987
Base-Backbone interact. energy: 0.919
local terms energy: -373.552997
where:
bonds (distance) C4'-P energy: -81.540
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -83.709
flat angles P-C4'-P energy: -52.294
tors. eta vs tors. theta energy: -89.618
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -993.897879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.897879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.897879 (E_RNA)
where:
Base-Base interactions energy: -645.658
where: short stacking energy: -293.725
Base-Backbone interact. energy: -0.723
local terms energy: -347.516399
where:
bonds (distance) C4'-P energy: -83.491
bonds (distance) P-C4' energy: -68.831
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -49.387
tors. eta vs tors. theta energy: -61.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -918.366604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.366604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.366604 (E_RNA)
where:
Base-Base interactions energy: -621.016
where: short stacking energy: -253.292
Base-Backbone interact. energy: -1.126
local terms energy: -296.225336
where:
bonds (distance) C4'-P energy: -63.281
bonds (distance) P-C4' energy: -75.683
flat angles C4'-P-C4' energy: -81.534
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -35.069
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: 54
Temperature: 0.900000
Total energy: -1801.395585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.395585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.395585 (E_RNA)
where:
Base-Base interactions energy: -1243.834
where: short stacking energy: -534.820
Base-Backbone interact. energy: -2.514
local terms energy: -555.047984
where:
bonds (distance) C4'-P energy: -101.021
bonds (distance) P-C4' energy: -108.689
flat angles C4'-P-C4' energy: -108.155
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -154.784
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: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1766.911630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.911630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.911630 (E_RNA)
where:
Base-Base interactions energy: -1241.174
where: short stacking energy: -527.111
Base-Backbone interact. energy: -0.518
local terms energy: -525.220556
where:
bonds (distance) C4'-P energy: -95.060
bonds (distance) P-C4' energy: -97.640
flat angles C4'-P-C4' energy: -111.587
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -152.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1694.312408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.312408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.312408 (E_RNA)
where:
Base-Base interactions energy: -1206.431
where: short stacking energy: -480.902
Base-Backbone interact. energy: -3.021
local terms energy: -484.861116
where:
bonds (distance) C4'-P energy: -86.047
bonds (distance) P-C4' energy: -93.892
flat angles C4'-P-C4' energy: -90.828
flat angles P-C4'-P energy: -76.122
tors. eta vs tors. theta energy: -137.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1599.859989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.859989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.859989 (E_RNA)
where:
Base-Base interactions energy: -1139.256
where: short stacking energy: -461.604
Base-Backbone interact. energy: -1.480
local terms energy: -459.123919
where:
bonds (distance) C4'-P energy: -87.930
bonds (distance) P-C4' energy: -91.971
flat angles C4'-P-C4' energy: -85.413
flat angles P-C4'-P energy: -69.662
tors. eta vs tors. theta energy: -124.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1550.295131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.295131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.295131 (E_RNA)
where:
Base-Base interactions energy: -1077.892
where: short stacking energy: -466.115
Base-Backbone interact. energy: -0.398
local terms energy: -472.005431
where:
bonds (distance) C4'-P energy: -84.264
bonds (distance) P-C4' energy: -91.991
flat angles C4'-P-C4' energy: -102.770
flat angles P-C4'-P energy: -68.884
tors. eta vs tors. theta energy: -124.097
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1470.998443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.998443 (E_RNA)
where:
Base-Base interactions energy: -1029.497
where: short stacking energy: -423.904
Base-Backbone interact. energy: -0.238
local terms energy: -441.263151
where:
bonds (distance) C4'-P energy: -67.735
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -93.864
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -124.472
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: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1362.262236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.262236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.262236 (E_RNA)
where:
Base-Base interactions energy: -949.192
where: short stacking energy: -395.702
Base-Backbone interact. energy: -1.118
local terms energy: -411.951890
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -68.553
tors. eta vs tors. theta energy: -89.022
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: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1295.803594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.803594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.803594 (E_RNA)
where:
Base-Base interactions energy: -889.593
where: short stacking energy: -376.290
Base-Backbone interact. energy: -1.800
local terms energy: -404.410844
where:
bonds (distance) C4'-P energy: -81.508
bonds (distance) P-C4' energy: -81.031
flat angles C4'-P-C4' energy: -89.285
flat angles P-C4'-P energy: -57.495
tors. eta vs tors. theta energy: -95.091
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: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1051.967924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.967924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.967924 (E_RNA)
where:
Base-Base interactions energy: -678.977
where: short stacking energy: -303.970
Base-Backbone interact. energy: -1.492
local terms energy: -371.498783
where:
bonds (distance) C4'-P energy: -65.510
bonds (distance) P-C4' energy: -84.268
flat angles C4'-P-C4' energy: -82.705
flat angles P-C4'-P energy: -69.519
tors. eta vs tors. theta energy: -69.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -873.282455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.282455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.282455 (E_RNA)
where:
Base-Base interactions energy: -555.713
where: short stacking energy: -251.846
Base-Backbone interact. energy: 0.647
local terms energy: -318.216607
where:
bonds (distance) C4'-P energy: -72.015
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -69.367
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1810.944022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.944022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.944022 (E_RNA)
where:
Base-Base interactions energy: -1268.344
where: short stacking energy: -519.988
Base-Backbone interact. energy: -1.394
local terms energy: -541.205925
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -106.878
flat angles P-C4'-P energy: -88.974
tors. eta vs tors. theta energy: -150.481
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1779.026670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.026670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.026670 (E_RNA)
where:
Base-Base interactions energy: -1265.725
where: short stacking energy: -522.304
Base-Backbone interact. energy: 1.528
local terms energy: -514.829598
where:
bonds (distance) C4'-P energy: -92.018
bonds (distance) P-C4' energy: -91.880
flat angles C4'-P-C4' energy: -105.162
flat angles P-C4'-P energy: -74.554
tors. eta vs tors. theta energy: -151.216
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1675.339606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.339606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.339606 (E_RNA)
where:
Base-Base interactions energy: -1208.020
where: short stacking energy: -508.821
Base-Backbone interact. energy: 3.935
local terms energy: -471.254571
where:
bonds (distance) C4'-P energy: -94.504
bonds (distance) P-C4' energy: -63.628
flat angles C4'-P-C4' energy: -100.970
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -139.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1650.344489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.344489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.344489 (E_RNA)
where:
Base-Base interactions energy: -1141.599
where: short stacking energy: -473.067
Base-Backbone interact. energy: -3.379
local terms energy: -505.365969
where:
bonds (distance) C4'-P energy: -89.968
bonds (distance) P-C4' energy: -88.213
flat angles C4'-P-C4' energy: -103.665
flat angles P-C4'-P energy: -80.793
tors. eta vs tors. theta energy: -142.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1588.768007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.768007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.768007 (E_RNA)
where:
Base-Base interactions energy: -1103.844
where: short stacking energy: -465.368
Base-Backbone interact. energy: 0.244
local terms energy: -485.167915
where:
bonds (distance) C4'-P energy: -94.415
bonds (distance) P-C4' energy: -84.601
flat angles C4'-P-C4' energy: -101.072
flat angles P-C4'-P energy: -69.195
tors. eta vs tors. theta energy: -135.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1480.332414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.332414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.332414 (E_RNA)
where:
Base-Base interactions energy: -1060.847
where: short stacking energy: -447.155
Base-Backbone interact. energy: 4.207
local terms energy: -423.692432
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -90.332
flat angles C4'-P-C4' energy: -92.129
flat angles P-C4'-P energy: -66.232
tors. eta vs tors. theta energy: -115.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1412.810674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.810674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.810674 (E_RNA)
where:
Base-Base interactions energy: -991.587
where: short stacking energy: -392.473
Base-Backbone interact. energy: 1.359
local terms energy: -422.583366
where:
bonds (distance) C4'-P energy: -86.597
bonds (distance) P-C4' energy: -82.784
flat angles C4'-P-C4' energy: -93.246
flat angles P-C4'-P energy: -63.906
tors. eta vs tors. theta energy: -96.050
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: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1279.210998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.210998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.210998 (E_RNA)
where:
Base-Base interactions energy: -883.859
where: short stacking energy: -349.571
Base-Backbone interact. energy: -0.723
local terms energy: -394.629307
where:
bonds (distance) C4'-P energy: -90.688
bonds (distance) P-C4' energy: -80.659
flat angles C4'-P-C4' energy: -87.970
flat angles P-C4'-P energy: -49.964
tors. eta vs tors. theta energy: -85.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1058.330086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.330086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.330086 (E_RNA)
where:
Base-Base interactions energy: -696.984
where: short stacking energy: -316.315
Base-Backbone interact. energy: 1.629
local terms energy: -362.975509
where:
bonds (distance) C4'-P energy: -77.454
bonds (distance) P-C4' energy: -81.188
flat angles C4'-P-C4' energy: -85.130
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -70.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -870.802764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.802764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.802764 (E_RNA)
where:
Base-Base interactions energy: -546.157
where: short stacking energy: -243.242
Base-Backbone interact. energy: 3.996
local terms energy: -328.641632
where:
bonds (distance) C4'-P energy: -85.876
bonds (distance) P-C4' energy: -79.817
flat angles C4'-P-C4' energy: -89.061
flat angles P-C4'-P energy: -45.281
tors. eta vs tors. theta energy: -28.607
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: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1807.326826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.326826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.326826 (E_RNA)
where:
Base-Base interactions energy: -1269.329
where: short stacking energy: -534.084
Base-Backbone interact. energy: -1.149
local terms energy: -536.848346
where:
bonds (distance) C4'-P energy: -99.799
bonds (distance) P-C4' energy: -91.743
flat angles C4'-P-C4' energy: -106.074
flat angles P-C4'-P energy: -85.852
tors. eta vs tors. theta energy: -153.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1776.800641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.800641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.800641 (E_RNA)
where:
Base-Base interactions energy: -1261.664
where: short stacking energy: -528.733
Base-Backbone interact. energy: -2.300
local terms energy: -512.836224
where:
bonds (distance) C4'-P energy: -85.675
bonds (distance) P-C4' energy: -94.774
flat angles C4'-P-C4' energy: -105.057
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -154.517
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: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1698.923255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.923255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.923255 (E_RNA)
where:
Base-Base interactions energy: -1189.886
where: short stacking energy: -485.137
Base-Backbone interact. energy: -2.264
local terms energy: -506.772403
where:
bonds (distance) C4'-P energy: -93.191
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -109.397
flat angles P-C4'-P energy: -77.043
tors. eta vs tors. theta energy: -137.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1658.052476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.052476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.052476 (E_RNA)
where:
Base-Base interactions energy: -1168.859
where: short stacking energy: -505.403
Base-Backbone interact. energy: -0.404
local terms energy: -488.789298
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -100.953
flat angles P-C4'-P energy: -70.181
tors. eta vs tors. theta energy: -138.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1569.299969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.299969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.299969 (E_RNA)
where:
Base-Base interactions energy: -1109.149
where: short stacking energy: -461.840
Base-Backbone interact. energy: -0.052
local terms energy: -460.099198
where:
bonds (distance) C4'-P energy: -85.194
bonds (distance) P-C4' energy: -74.434
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -65.200
tors. eta vs tors. theta energy: -129.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1541.412024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.412024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.412024 (E_RNA)
where:
Base-Base interactions energy: -1095.712
where: short stacking energy: -446.722
Base-Backbone interact. energy: -1.735
local terms energy: -443.964145
where:
bonds (distance) C4'-P energy: -77.896
bonds (distance) P-C4' energy: -77.046
flat angles C4'-P-C4' energy: -95.156
flat angles P-C4'-P energy: -63.310
tors. eta vs tors. theta energy: -130.557
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: 56
Temperature: 1.200000
Total energy: -1381.873576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.873576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.873576 (E_RNA)
where:
Base-Base interactions energy: -967.452
where: short stacking energy: -385.506
Base-Backbone interact. energy: -1.370
local terms energy: -413.051118
where:
bonds (distance) C4'-P energy: -78.240
bonds (distance) P-C4' energy: -82.450
flat angles C4'-P-C4' energy: -90.587
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -97.702
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: 56
Temperature: 1.250000
Total energy: -1304.395696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.395696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.395696 (E_RNA)
where:
Base-Base interactions energy: -910.318
where: short stacking energy: -370.973
Base-Backbone interact. energy: -2.164
local terms energy: -391.914037
where:
bonds (distance) C4'-P energy: -83.749
bonds (distance) P-C4' energy: -77.495
flat angles C4'-P-C4' energy: -82.023
flat angles P-C4'-P energy: -55.241
tors. eta vs tors. theta energy: -93.407
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: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -989.330760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.330760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.330760 (E_RNA)
where:
Base-Base interactions energy: -648.282
where: short stacking energy: -268.937
Base-Backbone interact. energy: 0.632
local terms energy: -341.681040
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -90.244
flat angles C4'-P-C4' energy: -85.583
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -52.608
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: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -840.467040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.467040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.467040 (E_RNA)
where:
Base-Base interactions energy: -548.723
where: short stacking energy: -249.269
Base-Backbone interact. energy: 1.678
local terms energy: -293.421579
where:
bonds (distance) C4'-P energy: -76.591
bonds (distance) P-C4' energy: -70.394
flat angles C4'-P-C4' energy: -73.108
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: -35.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1827.957497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.957497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.957497 (E_RNA)
where:
Base-Base interactions energy: -1274.389
where: short stacking energy: -540.406
Base-Backbone interact. energy: 0.328
local terms energy: -553.896115
where:
bonds (distance) C4'-P energy: -97.308
bonds (distance) P-C4' energy: -99.777
flat angles C4'-P-C4' energy: -114.787
flat angles P-C4'-P energy: -84.808
tors. eta vs tors. theta energy: -157.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1765.844412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.844412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.844412 (E_RNA)
where:
Base-Base interactions energy: -1225.486
where: short stacking energy: -524.195
Base-Backbone interact. energy: -0.666
local terms energy: -539.692843
where:
bonds (distance) C4'-P energy: -99.203
bonds (distance) P-C4' energy: -101.826
flat angles C4'-P-C4' energy: -115.172
flat angles P-C4'-P energy: -78.005
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: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1710.409256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.409256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.409256 (E_RNA)
where:
Base-Base interactions energy: -1194.884
where: short stacking energy: -502.671
Base-Backbone interact. energy: -0.989
local terms energy: -514.536710
where:
bonds (distance) C4'-P energy: -81.250
bonds (distance) P-C4' energy: -97.489
flat angles C4'-P-C4' energy: -111.978
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -145.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1654.705657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.705657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.705657 (E_RNA)
where:
Base-Base interactions energy: -1161.999
where: short stacking energy: -488.135
Base-Backbone interact. energy: -2.538
local terms energy: -490.168165
where:
bonds (distance) C4'-P energy: -83.920
bonds (distance) P-C4' energy: -88.860
flat angles C4'-P-C4' energy: -114.114
flat angles P-C4'-P energy: -69.898
tors. eta vs tors. theta energy: -133.377
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: 57
Temperature: 1.100000
Total energy: -1548.878649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.878649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.878649 (E_RNA)
where:
Base-Base interactions energy: -1050.185
where: short stacking energy: -449.658
Base-Backbone interact. energy: -0.981
local terms energy: -497.712311
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -110.827
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -132.661
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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1480.233570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.233570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.233570 (E_RNA)
where:
Base-Base interactions energy: -1064.537
where: short stacking energy: -441.769
Base-Backbone interact. energy: 2.828
local terms energy: -418.524615
where:
bonds (distance) C4'-P energy: -69.057
bonds (distance) P-C4' energy: -79.176
flat angles C4'-P-C4' energy: -94.889
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -118.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1411.717838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.717838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.717838 (E_RNA)
where:
Base-Base interactions energy: -979.421
where: short stacking energy: -399.226
Base-Backbone interact. energy: -0.563
local terms energy: -431.733416
where:
bonds (distance) C4'-P energy: -80.556
bonds (distance) P-C4' energy: -87.354
flat angles C4'-P-C4' energy: -101.928
flat angles P-C4'-P energy: -66.856
tors. eta vs tors. theta energy: -95.039
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: 57
Temperature: 1.250000
Total energy: -1286.034949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.034949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.034949 (E_RNA)
where:
Base-Base interactions energy: -900.805
where: short stacking energy: -363.570
Base-Backbone interact. energy: -0.733
local terms energy: -384.497287
where:
bonds (distance) C4'-P energy: -78.962
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -83.380
flat angles P-C4'-P energy: -56.862
tors. eta vs tors. theta energy: -95.034
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: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -985.192390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.192390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.192390 (E_RNA)
where:
Base-Base interactions energy: -638.717
where: short stacking energy: -268.523
Base-Backbone interact. energy: 3.740
local terms energy: -350.215912
where:
bonds (distance) C4'-P energy: -74.306
bonds (distance) P-C4' energy: -92.197
flat angles C4'-P-C4' energy: -82.231
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -47.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -823.951749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.951749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.951749 (E_RNA)
where:
Base-Base interactions energy: -523.360
where: short stacking energy: -239.971
Base-Backbone interact. energy: -0.619
local terms energy: -299.972585
where:
bonds (distance) C4'-P energy: -70.568
bonds (distance) P-C4' energy: -81.950
flat angles C4'-P-C4' energy: -70.570
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -33.006
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: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1833.501247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.501247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.501247 (E_RNA)
where:
Base-Base interactions energy: -1292.235
where: short stacking energy: -540.910
Base-Backbone interact. energy: -0.272
local terms energy: -540.994116
where:
bonds (distance) C4'-P energy: -94.841
bonds (distance) P-C4' energy: -93.488
flat angles C4'-P-C4' energy: -117.517
flat angles P-C4'-P energy: -87.903
tors. eta vs tors. theta energy: -147.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1770.437460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.437460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.437460 (E_RNA)
where:
Base-Base interactions energy: -1270.806
where: short stacking energy: -535.183
Base-Backbone interact. energy: -0.589
local terms energy: -499.042636
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -87.403
flat angles C4'-P-C4' energy: -109.711
flat angles P-C4'-P energy: -72.050
tors. eta vs tors. theta energy: -147.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1705.263785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.263785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.263785 (E_RNA)
where:
Base-Base interactions energy: -1187.735
where: short stacking energy: -496.913
Base-Backbone interact. energy: -2.827
local terms energy: -514.701915
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -89.007
flat angles C4'-P-C4' energy: -101.987
flat angles P-C4'-P energy: -73.606
tors. eta vs tors. theta energy: -150.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1649.913582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.913582 (E_RNA)
where:
Base-Base interactions energy: -1170.909
where: short stacking energy: -488.944
Base-Backbone interact. energy: 2.209
local terms energy: -481.213555
where:
bonds (distance) C4'-P energy: -83.984
bonds (distance) P-C4' energy: -84.493
flat angles C4'-P-C4' energy: -110.541
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -138.956
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: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1525.711875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.711875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.711875 (E_RNA)
where:
Base-Base interactions energy: -1079.642
where: short stacking energy: -444.988
Base-Backbone interact. energy: -2.784
local terms energy: -443.285777
where:
bonds (distance) C4'-P energy: -72.179
bonds (distance) P-C4' energy: -83.723
flat angles C4'-P-C4' energy: -93.814
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -122.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1535.214659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.214659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.214659 (E_RNA)
where:
Base-Base interactions energy: -1094.153
where: short stacking energy: -446.130
Base-Backbone interact. energy: -2.492
local terms energy: -438.569213
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -99.968
flat angles P-C4'-P energy: -61.265
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1403.596563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.596563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.596563 (E_RNA)
where:
Base-Base interactions energy: -986.635
where: short stacking energy: -406.425
Base-Backbone interact. energy: 5.834
local terms energy: -422.795479
where:
bonds (distance) C4'-P energy: -86.247
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -64.052
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: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1275.368745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.368745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.368745 (E_RNA)
where:
Base-Base interactions energy: -888.137
where: short stacking energy: -351.559
Base-Backbone interact. energy: 0.815
local terms energy: -388.046871
where:
bonds (distance) C4'-P energy: -75.138
bonds (distance) P-C4' energy: -65.910
flat angles C4'-P-C4' energy: -89.443
flat angles P-C4'-P energy: -72.479
tors. eta vs tors. theta energy: -85.078
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: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1040.153264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.153264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.153264 (E_RNA)
where:
Base-Base interactions energy: -685.360
where: short stacking energy: -298.552
Base-Backbone interact. energy: -0.664
local terms energy: -354.129710
where:
bonds (distance) C4'-P energy: -74.641
bonds (distance) P-C4' energy: -68.184
flat angles C4'-P-C4' energy: -85.040
flat angles P-C4'-P energy: -64.180
tors. eta vs tors. theta energy: -62.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -814.272114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.272114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.272114 (E_RNA)
where:
Base-Base interactions energy: -483.615
where: short stacking energy: -242.222
Base-Backbone interact. energy: -0.977
local terms energy: -329.680633
where:
bonds (distance) C4'-P energy: -85.376
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -41.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1822.534373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.534373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.534373 (E_RNA)
where:
Base-Base interactions energy: -1297.918
where: short stacking energy: -551.357
Base-Backbone interact. energy: -1.168
local terms energy: -523.448172
where:
bonds (distance) C4'-P energy: -89.780
bonds (distance) P-C4' energy: -109.611
flat angles C4'-P-C4' energy: -101.983
flat angles P-C4'-P energy: -72.950
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: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1786.217724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.217724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.217724 (E_RNA)
where:
Base-Base interactions energy: -1260.591
where: short stacking energy: -546.237
Base-Backbone interact. energy: 1.551
local terms energy: -527.177845
where:
bonds (distance) C4'-P energy: -98.605
bonds (distance) P-C4' energy: -88.809
flat angles C4'-P-C4' energy: -102.741
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -152.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1706.077817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.077817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.077817 (E_RNA)
where:
Base-Base interactions energy: -1179.178
where: short stacking energy: -494.789
Base-Backbone interact. energy: -2.264
local terms energy: -524.635690
where:
bonds (distance) C4'-P energy: -92.146
bonds (distance) P-C4' energy: -96.993
flat angles C4'-P-C4' energy: -108.737
flat angles P-C4'-P energy: -73.617
tors. eta vs tors. theta energy: -153.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1674.558146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.558146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.558146 (E_RNA)
where:
Base-Base interactions energy: -1180.615
where: short stacking energy: -492.070
Base-Backbone interact. energy: -1.443
local terms energy: -492.500004
where:
bonds (distance) C4'-P energy: -77.411
bonds (distance) P-C4' energy: -83.835
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -72.046
tors. eta vs tors. theta energy: -148.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1506.780617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.780617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.780617 (E_RNA)
where:
Base-Base interactions energy: -1041.936
where: short stacking energy: -421.742
Base-Backbone interact. energy: -1.902
local terms energy: -462.942579
where:
bonds (distance) C4'-P energy: -78.521
bonds (distance) P-C4' energy: -97.070
flat angles C4'-P-C4' energy: -101.968
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -116.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1550.823026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.823026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.823026 (E_RNA)
where:
Base-Base interactions energy: -1070.176
where: short stacking energy: -451.005
Base-Backbone interact. energy: -3.056
local terms energy: -477.590732
where:
bonds (distance) C4'-P energy: -88.414
bonds (distance) P-C4' energy: -84.620
flat angles C4'-P-C4' energy: -103.023
flat angles P-C4'-P energy: -73.251
tors. eta vs tors. theta energy: -128.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1405.236994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.236994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.236994 (E_RNA)
where:
Base-Base interactions energy: -974.942
where: short stacking energy: -404.687
Base-Backbone interact. energy: -2.095
local terms energy: -428.199995
where:
bonds (distance) C4'-P energy: -81.133
bonds (distance) P-C4' energy: -81.071
flat angles C4'-P-C4' energy: -96.394
flat angles P-C4'-P energy: -66.018
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1249.941005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.941005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.941005 (E_RNA)
where:
Base-Base interactions energy: -846.271
where: short stacking energy: -349.784
Base-Backbone interact. energy: -1.478
local terms energy: -402.192086
where:
bonds (distance) C4'-P energy: -75.823
bonds (distance) P-C4' energy: -75.618
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -70.197
tors. eta vs tors. theta energy: -76.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -970.284891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.284891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.284891 (E_RNA)
where:
Base-Base interactions energy: -628.474
where: short stacking energy: -275.462
Base-Backbone interact. energy: -0.448
local terms energy: -341.362586
where:
bonds (distance) C4'-P energy: -82.141
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -84.220
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -856.978328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.978328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.978328 (E_RNA)
where:
Base-Base interactions energy: -553.837
where: short stacking energy: -239.604
Base-Backbone interact. energy: -1.483
local terms energy: -301.659192
where:
bonds (distance) C4'-P energy: -78.333
bonds (distance) P-C4' energy: -79.738
flat angles C4'-P-C4' energy: -75.662
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1821.440674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.440674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.440674 (E_RNA)
where:
Base-Base interactions energy: -1272.792
where: short stacking energy: -524.389
Base-Backbone interact. energy: 0.272
local terms energy: -548.920882
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -105.429
flat angles C4'-P-C4' energy: -107.522
flat angles P-C4'-P energy: -81.541
tors. eta vs tors. theta energy: -157.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1743.709347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.709347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.709347 (E_RNA)
where:
Base-Base interactions energy: -1219.920
where: short stacking energy: -529.476
Base-Backbone interact. energy: -1.415
local terms energy: -522.373894
where:
bonds (distance) C4'-P energy: -90.719
bonds (distance) P-C4' energy: -99.978
flat angles C4'-P-C4' energy: -111.777
flat angles P-C4'-P energy: -74.906
tors. eta vs tors. theta energy: -144.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1690.924808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.924808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.924808 (E_RNA)
where:
Base-Base interactions energy: -1174.698
where: short stacking energy: -500.259
Base-Backbone interact. energy: -2.804
local terms energy: -513.422635
where:
bonds (distance) C4'-P energy: -84.004
bonds (distance) P-C4' energy: -99.449
flat angles C4'-P-C4' energy: -109.574
flat angles P-C4'-P energy: -79.687
tors. eta vs tors. theta energy: -140.708
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: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1661.386615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.386615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.386615 (E_RNA)
where:
Base-Base interactions energy: -1150.598
where: short stacking energy: -495.641
Base-Backbone interact. energy: -1.678
local terms energy: -509.110822
where:
bonds (distance) C4'-P energy: -94.875
bonds (distance) P-C4' energy: -98.742
flat angles C4'-P-C4' energy: -95.891
flat angles P-C4'-P energy: -73.605
tors. eta vs tors. theta energy: -145.997
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1625.440996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.440996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.440996 (E_RNA)
where:
Base-Base interactions energy: -1151.544
where: short stacking energy: -490.184
Base-Backbone interact. energy: 0.999
local terms energy: -474.895567
where:
bonds (distance) C4'-P energy: -81.366
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -103.242
flat angles P-C4'-P energy: -65.190
tors. eta vs tors. theta energy: -137.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1506.400259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.400259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.400259 (E_RNA)
where:
Base-Base interactions energy: -1051.108
where: short stacking energy: -424.659
Base-Backbone interact. energy: -1.947
local terms energy: -453.344574
where:
bonds (distance) C4'-P energy: -87.014
bonds (distance) P-C4' energy: -93.903
flat angles C4'-P-C4' energy: -100.570
flat angles P-C4'-P energy: -64.125
tors. eta vs tors. theta energy: -107.732
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: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1416.859819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.859819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.859819 (E_RNA)
where:
Base-Base interactions energy: -1002.543
where: short stacking energy: -399.025
Base-Backbone interact. energy: 0.204
local terms energy: -414.520160
where:
bonds (distance) C4'-P energy: -71.107
bonds (distance) P-C4' energy: -82.840
flat angles C4'-P-C4' energy: -96.186
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -106.677
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: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1292.414659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.414659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.414659 (E_RNA)
where:
Base-Base interactions energy: -904.151
where: short stacking energy: -377.601
Base-Backbone interact. energy: 2.468
local terms energy: -390.731989
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -80.790
flat angles C4'-P-C4' energy: -87.503
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: -95.962
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: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1012.749113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.749113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.749113 (E_RNA)
where:
Base-Base interactions energy: -692.397
where: short stacking energy: -284.170
Base-Backbone interact. energy: 0.539
local terms energy: -320.891206
where:
bonds (distance) C4'-P energy: -64.631
bonds (distance) P-C4' energy: -70.645
flat angles C4'-P-C4' energy: -71.193
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -56.377
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: 60
Temperature: 1.350000
Total energy: -828.740660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.740660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.740660 (E_RNA)
where:
Base-Base interactions energy: -538.297
where: short stacking energy: -254.996
Base-Backbone interact. energy: 0.189
local terms energy: -290.633105
where:
bonds (distance) C4'-P energy: -65.629
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -69.405
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -37.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1824.479185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.479185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.479185 (E_RNA)
where:
Base-Base interactions energy: -1287.192
where: short stacking energy: -530.920
Base-Backbone interact. energy: -1.230
local terms energy: -536.056713
where:
bonds (distance) C4'-P energy: -102.533
bonds (distance) P-C4' energy: -97.962
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -156.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1748.172075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.172075 (E_RNA)
where:
Base-Base interactions energy: -1212.793
where: short stacking energy: -529.967
Base-Backbone interact. energy: -1.670
local terms energy: -533.709753
where:
bonds (distance) C4'-P energy: -95.806
bonds (distance) P-C4' energy: -86.041
flat angles C4'-P-C4' energy: -118.573
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -151.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1716.909788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.909788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.909788 (E_RNA)
where:
Base-Base interactions energy: -1196.682
where: short stacking energy: -519.910
Base-Backbone interact. energy: -0.603
local terms energy: -519.624822
where:
bonds (distance) C4'-P energy: -90.601
bonds (distance) P-C4' energy: -95.059
flat angles C4'-P-C4' energy: -110.742
flat angles P-C4'-P energy: -74.952
tors. eta vs tors. theta energy: -148.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1661.937465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.937465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.937465 (E_RNA)
where:
Base-Base interactions energy: -1159.968
where: short stacking energy: -494.527
Base-Backbone interact. energy: -0.218
local terms energy: -501.750680
where:
bonds (distance) C4'-P energy: -90.337
bonds (distance) P-C4' energy: -94.191
flat angles C4'-P-C4' energy: -109.544
flat angles P-C4'-P energy: -59.027
tors. eta vs tors. theta energy: -148.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1604.523491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.523491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.523491 (E_RNA)
where:
Base-Base interactions energy: -1132.064
where: short stacking energy: -473.841
Base-Backbone interact. energy: -1.081
local terms energy: -471.378076
where:
bonds (distance) C4'-P energy: -68.803
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -103.904
flat angles P-C4'-P energy: -71.849
tors. eta vs tors. theta energy: -133.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1488.181686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.181686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.181686 (E_RNA)
where:
Base-Base interactions energy: -1062.924
where: short stacking energy: -452.910
Base-Backbone interact. energy: -2.283
local terms energy: -422.974484
where:
bonds (distance) C4'-P energy: -77.920
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -87.898
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -114.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1416.605990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.605990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.605990 (E_RNA)
where:
Base-Base interactions energy: -1006.544
where: short stacking energy: -393.725
Base-Backbone interact. energy: -0.415
local terms energy: -409.646901
where:
bonds (distance) C4'-P energy: -62.531
bonds (distance) P-C4' energy: -81.913
flat angles C4'-P-C4' energy: -93.197
flat angles P-C4'-P energy: -62.499
tors. eta vs tors. theta energy: -109.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1273.624002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.624002 (E_RNA)
where:
Base-Base interactions energy: -867.455
where: short stacking energy: -345.613
Base-Backbone interact. energy: -1.475
local terms energy: -404.694541
where:
bonds (distance) C4'-P energy: -94.228
bonds (distance) P-C4' energy: -86.054
flat angles C4'-P-C4' energy: -86.471
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -74.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1117.060883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.060883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.060883 (E_RNA)
where:
Base-Base interactions energy: -722.336
where: short stacking energy: -310.921
Base-Backbone interact. energy: -0.869
local terms energy: -393.856508
where:
bonds (distance) C4'-P energy: -75.997
bonds (distance) P-C4' energy: -81.594
flat angles C4'-P-C4' energy: -98.373
flat angles P-C4'-P energy: -57.534
tors. eta vs tors. theta energy: -80.357
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: 61
Temperature: 1.350000
Total energy: -738.104350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.104350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.104350 (E_RNA)
where:
Base-Base interactions energy: -455.294
where: short stacking energy: -216.541
Base-Backbone interact. energy: -1.628
local terms energy: -281.182290
where:
bonds (distance) C4'-P energy: -69.936
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -46.594
tors. eta vs tors. theta energy: -31.587
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: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1850.939283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.939283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.939283 (E_RNA)
where:
Base-Base interactions energy: -1296.776
where: short stacking energy: -554.888
Base-Backbone interact. energy: -0.672
local terms energy: -553.491729
where:
bonds (distance) C4'-P energy: -103.445
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -122.239
flat angles P-C4'-P energy: -72.323
tors. eta vs tors. theta energy: -152.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1735.744403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.744403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.744403 (E_RNA)
where:
Base-Base interactions energy: -1195.191
where: short stacking energy: -520.610
Base-Backbone interact. energy: -1.420
local terms energy: -539.134216
where:
bonds (distance) C4'-P energy: -93.916
bonds (distance) P-C4' energy: -92.916
flat angles C4'-P-C4' energy: -117.138
flat angles P-C4'-P energy: -80.353
tors. eta vs tors. theta energy: -154.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1719.564824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.564824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.564824 (E_RNA)
where:
Base-Base interactions energy: -1190.778
where: short stacking energy: -499.170
Base-Backbone interact. energy: -3.484
local terms energy: -525.303023
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -92.698
flat angles C4'-P-C4' energy: -120.812
flat angles P-C4'-P energy: -77.588
tors. eta vs tors. theta energy: -139.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1685.649518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.649518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.649518 (E_RNA)
where:
Base-Base interactions energy: -1171.793
where: short stacking energy: -490.587
Base-Backbone interact. energy: -2.297
local terms energy: -511.559656
where:
bonds (distance) C4'-P energy: -90.380
bonds (distance) P-C4' energy: -93.126
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -71.638
tors. eta vs tors. theta energy: -138.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1645.376490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.376490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.376490 (E_RNA)
where:
Base-Base interactions energy: -1148.062
where: short stacking energy: -514.000
Base-Backbone interact. energy: -1.525
local terms energy: -495.788773
where:
bonds (distance) C4'-P energy: -79.391
bonds (distance) P-C4' energy: -92.429
flat angles C4'-P-C4' energy: -101.988
flat angles P-C4'-P energy: -76.445
tors. eta vs tors. theta energy: -145.536
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: 62
Temperature: 1.150000
Total energy: -1505.773010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.773010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.773010 (E_RNA)
where:
Base-Base interactions energy: -1072.626
where: short stacking energy: -415.759
Base-Backbone interact. energy: -1.763
local terms energy: -431.383932
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -81.774
flat angles C4'-P-C4' energy: -88.324
flat angles P-C4'-P energy: -65.696
tors. eta vs tors. theta energy: -120.264
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: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1306.050869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.050869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.050869 (E_RNA)
where:
Base-Base interactions energy: -892.564
where: short stacking energy: -370.449
Base-Backbone interact. energy: -0.756
local terms energy: -412.730175
where:
bonds (distance) C4'-P energy: -74.164
bonds (distance) P-C4' energy: -82.832
flat angles C4'-P-C4' energy: -93.553
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -90.408
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: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1345.617011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.617011 (E_RNA)
where:
Base-Base interactions energy: -955.275
where: short stacking energy: -384.398
Base-Backbone interact. energy: -0.717
local terms energy: -389.625046
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -66.462
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -51.474
tors. eta vs tors. theta energy: -98.398
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: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1145.392472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.392472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.392472 (E_RNA)
where:
Base-Base interactions energy: -789.445
where: short stacking energy: -324.771
Base-Backbone interact. energy: 4.759
local terms energy: -360.706021
where:
bonds (distance) C4'-P energy: -62.459
bonds (distance) P-C4' energy: -75.883
flat angles C4'-P-C4' energy: -89.702
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -803.565490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.565490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.565490 (E_RNA)
where:
Base-Base interactions energy: -499.482
where: short stacking energy: -227.114
Base-Backbone interact. energy: 3.690
local terms energy: -307.773517
where:
bonds (distance) C4'-P energy: -75.027
bonds (distance) P-C4' energy: -83.946
flat angles C4'-P-C4' energy: -77.430
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1841.257664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.257664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.257664 (E_RNA)
where:
Base-Base interactions energy: -1303.700
where: short stacking energy: -535.092
Base-Backbone interact. energy: -1.788
local terms energy: -535.769202
where:
bonds (distance) C4'-P energy: -105.718
bonds (distance) P-C4' energy: -86.056
flat angles C4'-P-C4' energy: -110.915
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -157.117
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: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1740.762857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.762857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.762857 (E_RNA)
where:
Base-Base interactions energy: -1213.738
where: short stacking energy: -521.675
Base-Backbone interact. energy: -2.064
local terms energy: -524.960595
where:
bonds (distance) C4'-P energy: -87.596
bonds (distance) P-C4' energy: -95.841
flat angles C4'-P-C4' energy: -113.454
flat angles P-C4'-P energy: -79.907
tors. eta vs tors. theta energy: -148.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1717.877743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.877743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.877743 (E_RNA)
where:
Base-Base interactions energy: -1190.605
where: short stacking energy: -496.200
Base-Backbone interact. energy: -0.978
local terms energy: -526.294908
where:
bonds (distance) C4'-P energy: -98.523
bonds (distance) P-C4' energy: -84.781
flat angles C4'-P-C4' energy: -105.704
flat angles P-C4'-P energy: -78.985
tors. eta vs tors. theta energy: -158.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1647.476663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.476663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.476663 (E_RNA)
where:
Base-Base interactions energy: -1153.779
where: short stacking energy: -501.826
Base-Backbone interact. energy: 0.248
local terms energy: -493.945784
where:
bonds (distance) C4'-P energy: -88.008
bonds (distance) P-C4' energy: -85.569
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -149.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1588.289270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.289270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.289270 (E_RNA)
where:
Base-Base interactions energy: -1132.733
where: short stacking energy: -468.316
Base-Backbone interact. energy: -2.675
local terms energy: -452.881220
where:
bonds (distance) C4'-P energy: -82.464
bonds (distance) P-C4' energy: -72.606
flat angles C4'-P-C4' energy: -101.814
flat angles P-C4'-P energy: -67.434
tors. eta vs tors. theta energy: -128.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1533.672206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.672206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.672206 (E_RNA)
where:
Base-Base interactions energy: -1074.179
where: short stacking energy: -449.595
Base-Backbone interact. energy: -0.237
local terms energy: -459.255999
where:
bonds (distance) C4'-P energy: -74.832
bonds (distance) P-C4' energy: -94.984
flat angles C4'-P-C4' energy: -96.338
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -128.062
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1268.750235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.750235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.750235 (E_RNA)
where:
Base-Base interactions energy: -863.151
where: short stacking energy: -357.266
Base-Backbone interact. energy: 0.917
local terms energy: -406.516331
where:
bonds (distance) C4'-P energy: -83.593
bonds (distance) P-C4' energy: -82.085
flat angles C4'-P-C4' energy: -90.013
flat angles P-C4'-P energy: -54.624
tors. eta vs tors. theta energy: -96.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1372.122108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.122108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.122108 (E_RNA)
where:
Base-Base interactions energy: -936.123
where: short stacking energy: -394.924
Base-Backbone interact. energy: -1.783
local terms energy: -434.215763
where:
bonds (distance) C4'-P energy: -76.785
bonds (distance) P-C4' energy: -86.538
flat angles C4'-P-C4' energy: -97.507
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -112.040
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: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1134.582178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.582178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.582178 (E_RNA)
where:
Base-Base interactions energy: -779.440
where: short stacking energy: -322.622
Base-Backbone interact. energy: -0.264
local terms energy: -354.878340
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -96.123
flat angles C4'-P-C4' energy: -73.561
flat angles P-C4'-P energy: -45.381
tors. eta vs tors. theta energy: -77.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -733.385434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.385434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.385434 (E_RNA)
where:
Base-Base interactions energy: -470.543
where: short stacking energy: -205.692
Base-Backbone interact. energy: -1.638
local terms energy: -261.203609
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -73.358
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1823.574691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.574691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.574691 (E_RNA)
where:
Base-Base interactions energy: -1286.565
where: short stacking energy: -542.208
Base-Backbone interact. energy: -1.390
local terms energy: -535.620578
where:
bonds (distance) C4'-P energy: -95.432
bonds (distance) P-C4' energy: -95.104
flat angles C4'-P-C4' energy: -103.277
flat angles P-C4'-P energy: -83.442
tors. eta vs tors. theta energy: -158.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1748.068763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.068763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.068763 (E_RNA)
where:
Base-Base interactions energy: -1220.878
where: short stacking energy: -511.442
Base-Backbone interact. energy: -1.405
local terms energy: -525.786063
where:
bonds (distance) C4'-P energy: -97.156
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -110.911
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -148.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1689.828827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.828827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.828827 (E_RNA)
where:
Base-Base interactions energy: -1173.675
where: short stacking energy: -488.755
Base-Backbone interact. energy: 0.827
local terms energy: -516.981145
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -94.908
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -137.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1670.493124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.493124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.493124 (E_RNA)
where:
Base-Base interactions energy: -1189.445
where: short stacking energy: -494.213
Base-Backbone interact. energy: -2.181
local terms energy: -478.867611
where:
bonds (distance) C4'-P energy: -86.870
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -96.769
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -141.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1513.213008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.213008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.213008 (E_RNA)
where:
Base-Base interactions energy: -1057.126
where: short stacking energy: -443.958
Base-Backbone interact. energy: -0.211
local terms energy: -455.875966
where:
bonds (distance) C4'-P energy: -77.875
bonds (distance) P-C4' energy: -91.155
flat angles C4'-P-C4' energy: -111.438
flat angles P-C4'-P energy: -62.064
tors. eta vs tors. theta energy: -113.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1520.606909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.606909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.606909 (E_RNA)
where:
Base-Base interactions energy: -1062.868
where: short stacking energy: -444.476
Base-Backbone interact. energy: -1.920
local terms energy: -455.818726
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -78.982
flat angles C4'-P-C4' energy: -104.475
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: -130.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1405.199257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.199257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.199257 (E_RNA)
where:
Base-Base interactions energy: -970.428
where: short stacking energy: -389.902
Base-Backbone interact. energy: 0.053
local terms energy: -434.823771
where:
bonds (distance) C4'-P energy: -74.430
bonds (distance) P-C4' energy: -100.357
flat angles C4'-P-C4' energy: -89.035
flat angles P-C4'-P energy: -65.764
tors. eta vs tors. theta energy: -105.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1196.729446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.729446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.729446 (E_RNA)
where:
Base-Base interactions energy: -827.970
where: short stacking energy: -334.972
Base-Backbone interact. energy: 7.950
local terms energy: -376.709437
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -90.497
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -83.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1174.389830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.389830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.389830 (E_RNA)
where:
Base-Base interactions energy: -784.884
where: short stacking energy: -314.524
Base-Backbone interact. energy: -1.890
local terms energy: -387.616389
where:
bonds (distance) C4'-P energy: -79.219
bonds (distance) P-C4' energy: -72.077
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -67.067
tors. eta vs tors. theta energy: -75.431
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: 64
Temperature: 1.350000
Total energy: -806.324367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.324367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.324367 (E_RNA)
where:
Base-Base interactions energy: -510.883
where: short stacking energy: -220.699
Base-Backbone interact. energy: -0.081
local terms energy: -295.359868
where:
bonds (distance) C4'-P energy: -70.129
bonds (distance) P-C4' energy: -84.064
flat angles C4'-P-C4' energy: -66.953
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1825.537951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.537951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.537951 (E_RNA)
where:
Base-Base interactions energy: -1284.006
where: short stacking energy: -543.494
Base-Backbone interact. energy: -1.416
local terms energy: -540.116338
where:
bonds (distance) C4'-P energy: -87.580
bonds (distance) P-C4' energy: -93.270
flat angles C4'-P-C4' energy: -116.835
flat angles P-C4'-P energy: -86.327
tors. eta vs tors. theta energy: -156.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1750.648395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.648395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.648395 (E_RNA)
where:
Base-Base interactions energy: -1237.645
where: short stacking energy: -535.092
Base-Backbone interact. energy: -1.907
local terms energy: -511.096768
where:
bonds (distance) C4'-P energy: -91.060
bonds (distance) P-C4' energy: -87.743
flat angles C4'-P-C4' energy: -109.662
flat angles P-C4'-P energy: -76.047
tors. eta vs tors. theta energy: -146.585
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: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1686.242410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.242410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.242410 (E_RNA)
where:
Base-Base interactions energy: -1181.167
where: short stacking energy: -503.841
Base-Backbone interact. energy: -0.981
local terms energy: -504.094643
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -114.249
flat angles P-C4'-P energy: -69.689
tors. eta vs tors. theta energy: -143.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1699.947972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.947972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.947972 (E_RNA)
where:
Base-Base interactions energy: -1200.241
where: short stacking energy: -500.634
Base-Backbone interact. energy: 0.153
local terms energy: -499.859556
where:
bonds (distance) C4'-P energy: -85.958
bonds (distance) P-C4' energy: -96.371
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -69.478
tors. eta vs tors. theta energy: -140.494
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: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1541.299381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.299381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.299381 (E_RNA)
where:
Base-Base interactions energy: -1070.829
where: short stacking energy: -455.287
Base-Backbone interact. energy: -0.448
local terms energy: -470.022668
where:
bonds (distance) C4'-P energy: -88.320
bonds (distance) P-C4' energy: -83.551
flat angles C4'-P-C4' energy: -102.833
flat angles P-C4'-P energy: -64.234
tors. eta vs tors. theta energy: -131.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1512.426590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.426590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.426590 (E_RNA)
where:
Base-Base interactions energy: -1071.002
where: short stacking energy: -442.456
Base-Backbone interact. energy: 0.599
local terms energy: -442.023753
where:
bonds (distance) C4'-P energy: -86.875
bonds (distance) P-C4' energy: -73.616
flat angles C4'-P-C4' energy: -97.437
flat angles P-C4'-P energy: -54.596
tors. eta vs tors. theta energy: -129.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1369.363405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.363405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.363405 (E_RNA)
where:
Base-Base interactions energy: -960.045
where: short stacking energy: -391.530
Base-Backbone interact. energy: 0.221
local terms energy: -409.540162
where:
bonds (distance) C4'-P energy: -80.456
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -85.810
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -111.799
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: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1244.648676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.648676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.648676 (E_RNA)
where:
Base-Base interactions energy: -837.164
where: short stacking energy: -351.277
Base-Backbone interact. energy: 0.654
local terms energy: -408.139331
where:
bonds (distance) C4'-P energy: -101.016
bonds (distance) P-C4' energy: -76.982
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -81.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1192.114551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.114551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.114551 (E_RNA)
where:
Base-Base interactions energy: -804.773
where: short stacking energy: -320.974
Base-Backbone interact. energy: 2.177
local terms energy: -389.518988
where:
bonds (distance) C4'-P energy: -64.824
bonds (distance) P-C4' energy: -84.621
flat angles C4'-P-C4' energy: -93.007
flat angles P-C4'-P energy: -53.661
tors. eta vs tors. theta energy: -93.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -787.572812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.572812 (E_RNA)
where:
Base-Base interactions energy: -482.386
where: short stacking energy: -248.493
Base-Backbone interact. energy: 2.971
local terms energy: -308.157731
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -81.498
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: -32.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1854.623917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.623917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.623917 (E_RNA)
where:
Base-Base interactions energy: -1299.115
where: short stacking energy: -553.521
Base-Backbone interact. energy: -2.284
local terms energy: -553.225035
where:
bonds (distance) C4'-P energy: -95.552
bonds (distance) P-C4' energy: -92.494
flat angles C4'-P-C4' energy: -118.060
flat angles P-C4'-P energy: -80.732
tors. eta vs tors. theta energy: -166.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1768.953297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.953297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.953297 (E_RNA)
where:
Base-Base interactions energy: -1246.785
where: short stacking energy: -514.939
Base-Backbone interact. energy: -2.205
local terms energy: -519.962677
where:
bonds (distance) C4'-P energy: -89.620
bonds (distance) P-C4' energy: -103.604
flat angles C4'-P-C4' energy: -120.250
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -141.263
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: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1721.809258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.809258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.809258 (E_RNA)
where:
Base-Base interactions energy: -1209.244
where: short stacking energy: -520.432
Base-Backbone interact. energy: -3.206
local terms energy: -509.358836
where:
bonds (distance) C4'-P energy: -88.647
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -103.877
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -144.745
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: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1664.083399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.083399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.083399 (E_RNA)
where:
Base-Base interactions energy: -1152.197
where: short stacking energy: -494.650
Base-Backbone interact. energy: -1.011
local terms energy: -510.875351
where:
bonds (distance) C4'-P energy: -96.889
bonds (distance) P-C4' energy: -84.554
flat angles C4'-P-C4' energy: -113.972
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -145.987
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: 66
Temperature: 1.100000
Total energy: -1569.471875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.471875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.471875 (E_RNA)
where:
Base-Base interactions energy: -1088.349
where: short stacking energy: -453.346
Base-Backbone interact. energy: -0.404
local terms energy: -480.719129
where:
bonds (distance) C4'-P energy: -79.751
bonds (distance) P-C4' energy: -98.805
flat angles C4'-P-C4' energy: -111.279
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -132.643
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1501.505663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.505663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.505663 (E_RNA)
where:
Base-Base interactions energy: -1057.847
where: short stacking energy: -435.076
Base-Backbone interact. energy: -1.213
local terms energy: -442.445855
where:
bonds (distance) C4'-P energy: -90.253
bonds (distance) P-C4' energy: -74.330
flat angles C4'-P-C4' energy: -100.473
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -116.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1412.470687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.470687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.470687 (E_RNA)
where:
Base-Base interactions energy: -986.981
where: short stacking energy: -403.136
Base-Backbone interact. energy: 2.151
local terms energy: -427.640038
where:
bonds (distance) C4'-P energy: -70.695
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -105.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1202.156508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.156508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.156508 (E_RNA)
where:
Base-Base interactions energy: -807.719
where: short stacking energy: -336.065
Base-Backbone interact. energy: -1.630
local terms energy: -392.807826
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -70.352
flat angles C4'-P-C4' energy: -104.785
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -90.098
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: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1163.909994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.909994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.909994 (E_RNA)
where:
Base-Base interactions energy: -792.010
where: short stacking energy: -342.878
Base-Backbone interact. energy: 5.446
local terms energy: -377.345824
where:
bonds (distance) C4'-P energy: -81.910
bonds (distance) P-C4' energy: -78.600
flat angles C4'-P-C4' energy: -82.813
flat angles P-C4'-P energy: -52.999
tors. eta vs tors. theta energy: -81.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -789.823911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.823911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.823911 (E_RNA)
where:
Base-Base interactions energy: -511.206
where: short stacking energy: -240.628
Base-Backbone interact. energy: -2.142
local terms energy: -276.474975
where:
bonds (distance) C4'-P energy: -80.102
bonds (distance) P-C4' energy: -69.446
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1829.226808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.226808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.226808 (E_RNA)
where:
Base-Base interactions energy: -1283.280
where: short stacking energy: -553.415
Base-Backbone interact. energy: -1.056
local terms energy: -544.890551
where:
bonds (distance) C4'-P energy: -93.462
bonds (distance) P-C4' energy: -98.399
flat angles C4'-P-C4' energy: -110.299
flat angles P-C4'-P energy: -76.046
tors. eta vs tors. theta energy: -166.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1752.172841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.172841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.172841 (E_RNA)
where:
Base-Base interactions energy: -1231.100
where: short stacking energy: -518.828
Base-Backbone interact. energy: -0.718
local terms energy: -520.355022
where:
bonds (distance) C4'-P energy: -97.236
bonds (distance) P-C4' energy: -98.021
flat angles C4'-P-C4' energy: -107.143
flat angles P-C4'-P energy: -77.939
tors. eta vs tors. theta energy: -140.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1723.793612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.793612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.793612 (E_RNA)
where:
Base-Base interactions energy: -1213.637
where: short stacking energy: -527.650
Base-Backbone interact. energy: -1.368
local terms energy: -508.788122
where:
bonds (distance) C4'-P energy: -82.207
bonds (distance) P-C4' energy: -93.165
flat angles C4'-P-C4' energy: -119.519
flat angles P-C4'-P energy: -75.924
tors. eta vs tors. theta energy: -137.973
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: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1644.640486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.640486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.640486 (E_RNA)
where:
Base-Base interactions energy: -1128.918
where: short stacking energy: -483.653
Base-Backbone interact. energy: -0.164
local terms energy: -515.558562
where:
bonds (distance) C4'-P energy: -90.773
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -104.447
flat angles P-C4'-P energy: -69.849
tors. eta vs tors. theta energy: -146.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1571.894796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.894796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.894796 (E_RNA)
where:
Base-Base interactions energy: -1087.040
where: short stacking energy: -448.118
Base-Backbone interact. energy: -2.573
local terms energy: -482.280887
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -94.580
flat angles C4'-P-C4' energy: -112.690
flat angles P-C4'-P energy: -70.370
tors. eta vs tors. theta energy: -123.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1468.436318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.436318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.436318 (E_RNA)
where:
Base-Base interactions energy: -1017.422
where: short stacking energy: -415.044
Base-Backbone interact. energy: -2.104
local terms energy: -448.910521
where:
bonds (distance) C4'-P energy: -89.742
bonds (distance) P-C4' energy: -73.220
flat angles C4'-P-C4' energy: -107.922
flat angles P-C4'-P energy: -66.837
tors. eta vs tors. theta energy: -111.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1431.217354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.217354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.217354 (E_RNA)
where:
Base-Base interactions energy: -1014.912
where: short stacking energy: -408.068
Base-Backbone interact. energy: -0.186
local terms energy: -416.119670
where:
bonds (distance) C4'-P energy: -75.187
bonds (distance) P-C4' energy: -81.239
flat angles C4'-P-C4' energy: -90.814
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -117.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1229.878775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.878775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.878775 (E_RNA)
where:
Base-Base interactions energy: -827.213
where: short stacking energy: -348.982
Base-Backbone interact. energy: -1.925
local terms energy: -400.740463
where:
bonds (distance) C4'-P energy: -84.088
bonds (distance) P-C4' energy: -87.458
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -82.222
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: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1173.636188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.636188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.636188 (E_RNA)
where:
Base-Base interactions energy: -791.753
where: short stacking energy: -301.357
Base-Backbone interact. energy: 0.580
local terms energy: -382.463721
where:
bonds (distance) C4'-P energy: -90.083
bonds (distance) P-C4' energy: -82.465
flat angles C4'-P-C4' energy: -91.362
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -56.900
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -792.219701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.219701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.219701 (E_RNA)
where:
Base-Base interactions energy: -490.567
where: short stacking energy: -215.361
Base-Backbone interact. energy: -3.567
local terms energy: -298.085666
where:
bonds (distance) C4'-P energy: -69.892
bonds (distance) P-C4' energy: -81.898
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1826.973594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.973594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.973594 (E_RNA)
where:
Base-Base interactions energy: -1281.523
where: short stacking energy: -545.328
Base-Backbone interact. energy: -2.358
local terms energy: -543.093069
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -98.103
flat angles C4'-P-C4' energy: -114.007
flat angles P-C4'-P energy: -82.798
tors. eta vs tors. theta energy: -157.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1782.895830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.895830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.895830 (E_RNA)
where:
Base-Base interactions energy: -1246.521
where: short stacking energy: -517.557
Base-Backbone interact. energy: -1.538
local terms energy: -534.836942
where:
bonds (distance) C4'-P energy: -90.905
bonds (distance) P-C4' energy: -96.146
flat angles C4'-P-C4' energy: -116.159
flat angles P-C4'-P energy: -82.184
tors. eta vs tors. theta energy: -149.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1749.532197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.532197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.532197 (E_RNA)
where:
Base-Base interactions energy: -1218.504
where: short stacking energy: -536.648
Base-Backbone interact. energy: -1.645
local terms energy: -529.383604
where:
bonds (distance) C4'-P energy: -91.922
bonds (distance) P-C4' energy: -93.395
flat angles C4'-P-C4' energy: -109.056
flat angles P-C4'-P energy: -76.876
tors. eta vs tors. theta energy: -158.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1648.904675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.904675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.904675 (E_RNA)
where:
Base-Base interactions energy: -1153.289
where: short stacking energy: -495.155
Base-Backbone interact. energy: 4.257
local terms energy: -499.872201
where:
bonds (distance) C4'-P energy: -83.015
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -78.602
tors. eta vs tors. theta energy: -141.204
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: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1558.657921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.657921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.657921 (E_RNA)
where:
Base-Base interactions energy: -1093.065
where: short stacking energy: -439.547
Base-Backbone interact. energy: -2.259
local terms energy: -463.334229
where:
bonds (distance) C4'-P energy: -85.807
bonds (distance) P-C4' energy: -74.262
flat angles C4'-P-C4' energy: -101.325
flat angles P-C4'-P energy: -68.906
tors. eta vs tors. theta energy: -133.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1462.642238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.642238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.642238 (E_RNA)
where:
Base-Base interactions energy: -1018.127
where: short stacking energy: -423.613
Base-Backbone interact. energy: 2.009
local terms energy: -446.524981
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -98.286
flat angles P-C4'-P energy: -60.081
tors. eta vs tors. theta energy: -120.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1426.830866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.830866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.830866 (E_RNA)
where:
Base-Base interactions energy: -971.472
where: short stacking energy: -394.872
Base-Backbone interact. energy: -0.867
local terms energy: -454.491651
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -89.136
flat angles C4'-P-C4' energy: -99.086
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -108.886
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: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1264.253602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.253602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.253602 (E_RNA)
where:
Base-Base interactions energy: -861.797
where: short stacking energy: -370.082
Base-Backbone interact. energy: -0.685
local terms energy: -401.771399
where:
bonds (distance) C4'-P energy: -70.233
bonds (distance) P-C4' energy: -79.691
flat angles C4'-P-C4' energy: -87.495
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -101.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1189.440349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.440349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.440349 (E_RNA)
where:
Base-Base interactions energy: -792.043
where: short stacking energy: -327.997
Base-Backbone interact. energy: 0.271
local terms energy: -397.668041
where:
bonds (distance) C4'-P energy: -93.980
bonds (distance) P-C4' energy: -83.289
flat angles C4'-P-C4' energy: -88.382
flat angles P-C4'-P energy: -52.939
tors. eta vs tors. theta energy: -79.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -736.094461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.094461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.094461 (E_RNA)
where:
Base-Base interactions energy: -426.921
where: short stacking energy: -195.927
Base-Backbone interact. energy: 0.778
local terms energy: -309.952235
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -82.234
flat angles C4'-P-C4' energy: -64.853
flat angles P-C4'-P energy: -51.364
tors. eta vs tors. theta energy: -27.219
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: 69
Temperature: 0.900000
Total energy: -1825.398766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.398766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.398766 (E_RNA)
where:
Base-Base interactions energy: -1256.953
where: short stacking energy: -540.959
Base-Backbone interact. energy: -2.930
local terms energy: -565.515696
where:
bonds (distance) C4'-P energy: -110.973
bonds (distance) P-C4' energy: -105.020
flat angles C4'-P-C4' energy: -114.342
flat angles P-C4'-P energy: -79.595
tors. eta vs tors. theta energy: -155.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1780.997660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.997660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.997660 (E_RNA)
where:
Base-Base interactions energy: -1251.535
where: short stacking energy: -529.176
Base-Backbone interact. energy: -1.716
local terms energy: -527.747023
where:
bonds (distance) C4'-P energy: -86.436
bonds (distance) P-C4' energy: -89.960
flat angles C4'-P-C4' energy: -112.239
flat angles P-C4'-P energy: -81.906
tors. eta vs tors. theta energy: -157.207
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: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1687.534398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.534398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.534398 (E_RNA)
where:
Base-Base interactions energy: -1201.351
where: short stacking energy: -479.468
Base-Backbone interact. energy: -1.293
local terms energy: -484.890086
where:
bonds (distance) C4'-P energy: -84.572
bonds (distance) P-C4' energy: -93.305
flat angles C4'-P-C4' energy: -107.669
flat angles P-C4'-P energy: -63.928
tors. eta vs tors. theta energy: -135.417
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1651.219568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.219568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.219568 (E_RNA)
where:
Base-Base interactions energy: -1148.426
where: short stacking energy: -488.222
Base-Backbone interact. energy: 0.089
local terms energy: -502.882015
where:
bonds (distance) C4'-P energy: -82.196
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -111.104
flat angles P-C4'-P energy: -75.118
tors. eta vs tors. theta energy: -142.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1560.366180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.366180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.366180 (E_RNA)
where:
Base-Base interactions energy: -1083.275
where: short stacking energy: -453.786
Base-Backbone interact. energy: 0.487
local terms energy: -477.577489
where:
bonds (distance) C4'-P energy: -81.544
bonds (distance) P-C4' energy: -102.497
flat angles C4'-P-C4' energy: -99.889
flat angles P-C4'-P energy: -68.542
tors. eta vs tors. theta energy: -125.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1476.902602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.902602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.902602 (E_RNA)
where:
Base-Base interactions energy: -1047.068
where: short stacking energy: -420.479
Base-Backbone interact. energy: -1.793
local terms energy: -428.042449
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -92.165
flat angles P-C4'-P energy: -63.822
tors. eta vs tors. theta energy: -100.326
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: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1446.259814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.259814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.259814 (E_RNA)
where:
Base-Base interactions energy: -1035.341
where: short stacking energy: -430.910
Base-Backbone interact. energy: 0.818
local terms energy: -411.737264
where:
bonds (distance) C4'-P energy: -70.860
bonds (distance) P-C4' energy: -74.206
flat angles C4'-P-C4' energy: -89.115
flat angles P-C4'-P energy: -59.973
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: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1260.456579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.456579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.456579 (E_RNA)
where:
Base-Base interactions energy: -849.923
where: short stacking energy: -372.616
Base-Backbone interact. energy: -0.982
local terms energy: -409.551529
where:
bonds (distance) C4'-P energy: -76.212
bonds (distance) P-C4' energy: -97.522
flat angles C4'-P-C4' energy: -82.535
flat angles P-C4'-P energy: -58.832
tors. eta vs tors. theta energy: -94.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1176.603440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.603440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.603440 (E_RNA)
where:
Base-Base interactions energy: -817.526
where: short stacking energy: -325.289
Base-Backbone interact. energy: -1.802
local terms energy: -357.275587
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -85.218
flat angles C4'-P-C4' energy: -69.470
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -74.743
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: 69
Temperature: 1.350000
Total energy: -734.074840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.074840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.074840 (E_RNA)
where:
Base-Base interactions energy: -474.010
where: short stacking energy: -215.478
Base-Backbone interact. energy: 0.227
local terms energy: -260.291814
where:
bonds (distance) C4'-P energy: -69.435
bonds (distance) P-C4' energy: -73.573
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1819.799216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.799216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.799216 (E_RNA)
where:
Base-Base interactions energy: -1265.789
where: short stacking energy: -527.110
Base-Backbone interact. energy: 0.947
local terms energy: -554.957286
where:
bonds (distance) C4'-P energy: -108.086
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -114.002
flat angles P-C4'-P energy: -78.736
tors. eta vs tors. theta energy: -149.362
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1781.355298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.355298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.355298 (E_RNA)
where:
Base-Base interactions energy: -1249.873
where: short stacking energy: -520.924
Base-Backbone interact. energy: -0.591
local terms energy: -530.890567
where:
bonds (distance) C4'-P energy: -90.146
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -70.436
tors. eta vs tors. theta energy: -152.741
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: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1701.954695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.954695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.954695 (E_RNA)
where:
Base-Base interactions energy: -1221.475
where: short stacking energy: -496.342
Base-Backbone interact. energy: 0.228
local terms energy: -480.708000
where:
bonds (distance) C4'-P energy: -85.737
bonds (distance) P-C4' energy: -85.032
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -68.875
tors. eta vs tors. theta energy: -136.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1643.742213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.742213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.742213 (E_RNA)
where:
Base-Base interactions energy: -1138.560
where: short stacking energy: -483.391
Base-Backbone interact. energy: -2.003
local terms energy: -503.178811
where:
bonds (distance) C4'-P energy: -98.139
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -104.269
flat angles P-C4'-P energy: -64.634
tors. eta vs tors. theta energy: -140.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1568.261710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.261710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.261710 (E_RNA)
where:
Base-Base interactions energy: -1089.639
where: short stacking energy: -437.534
Base-Backbone interact. energy: 1.535
local terms energy: -480.157200
where:
bonds (distance) C4'-P energy: -79.551
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -105.946
flat angles P-C4'-P energy: -59.252
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1490.733282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.733282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.733282 (E_RNA)
where:
Base-Base interactions energy: -1046.426
where: short stacking energy: -435.347
Base-Backbone interact. energy: 0.294
local terms energy: -444.601271
where:
bonds (distance) C4'-P energy: -70.142
bonds (distance) P-C4' energy: -93.088
flat angles C4'-P-C4' energy: -96.155
flat angles P-C4'-P energy: -66.812
tors. eta vs tors. theta energy: -118.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1381.644511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.644511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.644511 (E_RNA)
where:
Base-Base interactions energy: -971.475
where: short stacking energy: -415.912
Base-Backbone interact. energy: 2.924
local terms energy: -413.093587
where:
bonds (distance) C4'-P energy: -70.909
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -109.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1249.976439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.976439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.976439 (E_RNA)
where:
Base-Base interactions energy: -841.114
where: short stacking energy: -352.887
Base-Backbone interact. energy: -1.776
local terms energy: -407.086956
where:
bonds (distance) C4'-P energy: -73.782
bonds (distance) P-C4' energy: -109.175
flat angles C4'-P-C4' energy: -84.332
flat angles P-C4'-P energy: -61.260
tors. eta vs tors. theta energy: -78.537
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1115.461702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.461702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.461702 (E_RNA)
where:
Base-Base interactions energy: -760.664
where: short stacking energy: -314.110
Base-Backbone interact. energy: -3.241
local terms energy: -351.556480
where:
bonds (distance) C4'-P energy: -76.749
bonds (distance) P-C4' energy: -72.688
flat angles C4'-P-C4' energy: -89.622
flat angles P-C4'-P energy: -42.422
tors. eta vs tors. theta energy: -70.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -747.126399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.126399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.126399 (E_RNA)
where:
Base-Base interactions energy: -459.688
where: short stacking energy: -225.804
Base-Backbone interact. energy: 4.111
local terms energy: -291.549855
where:
bonds (distance) C4'-P energy: -76.259
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -63.875
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1820.359727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.359727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.359727 (E_RNA)
where:
Base-Base interactions energy: -1281.209
where: short stacking energy: -544.618
Base-Backbone interact. energy: -0.984
local terms energy: -538.166690
where:
bonds (distance) C4'-P energy: -101.314
bonds (distance) P-C4' energy: -86.258
flat angles C4'-P-C4' energy: -118.396
flat angles P-C4'-P energy: -76.939
tors. eta vs tors. theta energy: -155.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1760.329022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.329022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.329022 (E_RNA)
where:
Base-Base interactions energy: -1212.194
where: short stacking energy: -533.387
Base-Backbone interact. energy: -2.355
local terms energy: -545.779533
where:
bonds (distance) C4'-P energy: -99.714
bonds (distance) P-C4' energy: -98.306
flat angles C4'-P-C4' energy: -112.416
flat angles P-C4'-P energy: -74.864
tors. eta vs tors. theta energy: -160.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1716.422566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.422566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.422566 (E_RNA)
where:
Base-Base interactions energy: -1217.837
where: short stacking energy: -506.192
Base-Backbone interact. energy: -0.355
local terms energy: -498.230336
where:
bonds (distance) C4'-P energy: -90.462
bonds (distance) P-C4' energy: -85.637
flat angles C4'-P-C4' energy: -102.201
flat angles P-C4'-P energy: -76.325
tors. eta vs tors. theta energy: -143.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1637.399848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.399848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.399848 (E_RNA)
where:
Base-Base interactions energy: -1162.070
where: short stacking energy: -486.596
Base-Backbone interact. energy: -4.850
local terms energy: -470.479781
where:
bonds (distance) C4'-P energy: -89.898
bonds (distance) P-C4' energy: -87.710
flat angles C4'-P-C4' energy: -111.919
flat angles P-C4'-P energy: -56.471
tors. eta vs tors. theta energy: -124.481
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: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1616.605511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.605511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.605511 (E_RNA)
where:
Base-Base interactions energy: -1117.218
where: short stacking energy: -485.800
Base-Backbone interact. energy: -0.328
local terms energy: -499.059162
where:
bonds (distance) C4'-P energy: -93.449
bonds (distance) P-C4' energy: -82.755
flat angles C4'-P-C4' energy: -102.305
flat angles P-C4'-P energy: -73.150
tors. eta vs tors. theta energy: -147.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1463.022947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.022947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.022947 (E_RNA)
where:
Base-Base interactions energy: -1005.324
where: short stacking energy: -411.972
Base-Backbone interact. energy: -1.301
local terms energy: -456.397753
where:
bonds (distance) C4'-P energy: -94.887
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -94.946
flat angles P-C4'-P energy: -63.844
tors. eta vs tors. theta energy: -115.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1398.496402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.496402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.496402 (E_RNA)
where:
Base-Base interactions energy: -975.456
where: short stacking energy: -408.275
Base-Backbone interact. energy: -1.340
local terms energy: -421.699964
where:
bonds (distance) C4'-P energy: -70.599
bonds (distance) P-C4' energy: -83.091
flat angles C4'-P-C4' energy: -95.124
flat angles P-C4'-P energy: -67.105
tors. eta vs tors. theta energy: -105.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1222.307473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.307473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.307473 (E_RNA)
where:
Base-Base interactions energy: -826.386
where: short stacking energy: -333.464
Base-Backbone interact. energy: -2.136
local terms energy: -393.785950
where:
bonds (distance) C4'-P energy: -74.525
bonds (distance) P-C4' energy: -97.562
flat angles C4'-P-C4' energy: -91.530
flat angles P-C4'-P energy: -57.793
tors. eta vs tors. theta energy: -72.377
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: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1158.781781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.781781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.781781 (E_RNA)
where:
Base-Base interactions energy: -779.741
where: short stacking energy: -341.396
Base-Backbone interact. energy: -0.934
local terms energy: -378.106620
where:
bonds (distance) C4'-P energy: -71.657
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -90.372
flat angles P-C4'-P energy: -56.002
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -749.024807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.024807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.024807 (E_RNA)
where:
Base-Base interactions energy: -453.607
where: short stacking energy: -195.762
Base-Backbone interact. energy: -1.880
local terms energy: -293.537920
where:
bonds (distance) C4'-P energy: -80.545
bonds (distance) P-C4' energy: -78.435
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1800.492063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.492063 (E_RNA)
where:
Base-Base interactions energy: -1265.339
where: short stacking energy: -546.435
Base-Backbone interact. energy: -1.029
local terms energy: -534.123973
where:
bonds (distance) C4'-P energy: -86.930
bonds (distance) P-C4' energy: -99.740
flat angles C4'-P-C4' energy: -113.408
flat angles P-C4'-P energy: -76.109
tors. eta vs tors. theta energy: -157.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1736.277084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.277084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.277084 (E_RNA)
where:
Base-Base interactions energy: -1210.571
where: short stacking energy: -508.426
Base-Backbone interact. energy: -2.977
local terms energy: -522.729213
where:
bonds (distance) C4'-P energy: -93.294
bonds (distance) P-C4' energy: -96.370
flat angles C4'-P-C4' energy: -106.657
flat angles P-C4'-P energy: -87.264
tors. eta vs tors. theta energy: -139.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1667.062412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.062412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.062412 (E_RNA)
where:
Base-Base interactions energy: -1170.182
where: short stacking energy: -490.979
Base-Backbone interact. energy: -2.840
local terms energy: -494.040443
where:
bonds (distance) C4'-P energy: -94.371
bonds (distance) P-C4' energy: -90.471
flat angles C4'-P-C4' energy: -109.407
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -129.749
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: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1651.933663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.933663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.933663 (E_RNA)
where:
Base-Base interactions energy: -1151.603
where: short stacking energy: -454.606
Base-Backbone interact. energy: -0.857
local terms energy: -499.473513
where:
bonds (distance) C4'-P energy: -76.904
bonds (distance) P-C4' energy: -94.619
flat angles C4'-P-C4' energy: -109.733
flat angles P-C4'-P energy: -86.820
tors. eta vs tors. theta energy: -131.397
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: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1591.494358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.494358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.494358 (E_RNA)
where:
Base-Base interactions energy: -1131.667
where: short stacking energy: -483.924
Base-Backbone interact. energy: 2.115
local terms energy: -461.942068
where:
bonds (distance) C4'-P energy: -81.585
bonds (distance) P-C4' energy: -80.390
flat angles C4'-P-C4' energy: -93.754
flat angles P-C4'-P energy: -68.195
tors. eta vs tors. theta energy: -138.018
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: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1472.624154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.624154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.624154 (E_RNA)
where:
Base-Base interactions energy: -1019.382
where: short stacking energy: -428.412
Base-Backbone interact. energy: 0.613
local terms energy: -453.855297
where:
bonds (distance) C4'-P energy: -87.311
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -98.695
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -115.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1436.787107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.787107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.787107 (E_RNA)
where:
Base-Base interactions energy: -1005.284
where: short stacking energy: -439.014
Base-Backbone interact. energy: 0.548
local terms energy: -432.051089
where:
bonds (distance) C4'-P energy: -68.223
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -85.996
flat angles P-C4'-P energy: -69.435
tors. eta vs tors. theta energy: -115.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1255.232847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.232847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.232847 (E_RNA)
where:
Base-Base interactions energy: -853.586
where: short stacking energy: -331.347
Base-Backbone interact. energy: -0.686
local terms energy: -400.961202
where:
bonds (distance) C4'-P energy: -73.272
bonds (distance) P-C4' energy: -67.511
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -72.992
tors. eta vs tors. theta energy: -90.078
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: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1147.557996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.557996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.557996 (E_RNA)
where:
Base-Base interactions energy: -788.868
where: short stacking energy: -312.871
Base-Backbone interact. energy: 0.098
local terms energy: -358.788752
where:
bonds (distance) C4'-P energy: -72.156
bonds (distance) P-C4' energy: -85.216
flat angles C4'-P-C4' energy: -78.121
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -73.030
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: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -808.634133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.634133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.634133 (E_RNA)
where:
Base-Base interactions energy: -489.896
where: short stacking energy: -222.351
Base-Backbone interact. energy: 1.278
local terms energy: -320.016106
where:
bonds (distance) C4'-P energy: -67.056
bonds (distance) P-C4' energy: -78.845
flat angles C4'-P-C4' energy: -83.826
flat angles P-C4'-P energy: -51.327
tors. eta vs tors. theta energy: -38.963
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: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1796.732217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.732217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.732217 (E_RNA)
where:
Base-Base interactions energy: -1271.344
where: short stacking energy: -553.715
Base-Backbone interact. energy: -1.215
local terms energy: -524.173942
where:
bonds (distance) C4'-P energy: -97.462
bonds (distance) P-C4' energy: -91.632
flat angles C4'-P-C4' energy: -105.926
flat angles P-C4'-P energy: -75.545
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: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1738.062844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.062844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.062844 (E_RNA)
where:
Base-Base interactions energy: -1231.213
where: short stacking energy: -534.773
Base-Backbone interact. energy: -2.000
local terms energy: -504.850478
where:
bonds (distance) C4'-P energy: -85.599
bonds (distance) P-C4' energy: -84.251
flat angles C4'-P-C4' energy: -111.174
flat angles P-C4'-P energy: -74.527
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: 73
Temperature: 1.000000
Total energy: -1686.291747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.291747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.291747 (E_RNA)
where:
Base-Base interactions energy: -1183.526
where: short stacking energy: -483.583
Base-Backbone interact. energy: -0.338
local terms energy: -502.427948
where:
bonds (distance) C4'-P energy: -94.034
bonds (distance) P-C4' energy: -95.260
flat angles C4'-P-C4' energy: -101.270
flat angles P-C4'-P energy: -67.463
tors. eta vs tors. theta energy: -144.401
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: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1648.633707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.633707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.633707 (E_RNA)
where:
Base-Base interactions energy: -1174.778
where: short stacking energy: -462.671
Base-Backbone interact. energy: -2.235
local terms energy: -471.620121
where:
bonds (distance) C4'-P energy: -78.314
bonds (distance) P-C4' energy: -80.226
flat angles C4'-P-C4' energy: -106.177
flat angles P-C4'-P energy: -75.815
tors. eta vs tors. theta energy: -131.088
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: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1572.424143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.424143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.424143 (E_RNA)
where:
Base-Base interactions energy: -1100.143
where: short stacking energy: -470.733
Base-Backbone interact. energy: 0.553
local terms energy: -472.833853
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -101.861
flat angles P-C4'-P energy: -69.057
tors. eta vs tors. theta energy: -139.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1496.149143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.149143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.149143 (E_RNA)
where:
Base-Base interactions energy: -1038.180
where: short stacking energy: -418.669
Base-Backbone interact. energy: -1.906
local terms energy: -456.063101
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -92.584
flat angles C4'-P-C4' energy: -91.935
flat angles P-C4'-P energy: -68.837
tors. eta vs tors. theta energy: -113.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1419.193697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.193697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.193697 (E_RNA)
where:
Base-Base interactions energy: -972.124
where: short stacking energy: -404.201
Base-Backbone interact. energy: -1.055
local terms energy: -446.014876
where:
bonds (distance) C4'-P energy: -77.063
bonds (distance) P-C4' energy: -83.322
flat angles C4'-P-C4' energy: -100.112
flat angles P-C4'-P energy: -66.302
tors. eta vs tors. theta energy: -119.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1158.663215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.663215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.663215 (E_RNA)
where:
Base-Base interactions energy: -787.456
where: short stacking energy: -335.944
Base-Backbone interact. energy: -2.049
local terms energy: -369.158853
where:
bonds (distance) C4'-P energy: -65.596
bonds (distance) P-C4' energy: -87.782
flat angles C4'-P-C4' energy: -98.119
flat angles P-C4'-P energy: -46.056
tors. eta vs tors. theta energy: -71.606
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: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1076.900919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.900919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.900919 (E_RNA)
where:
Base-Base interactions energy: -718.596
where: short stacking energy: -304.107
Base-Backbone interact. energy: -0.128
local terms energy: -358.177056
where:
bonds (distance) C4'-P energy: -58.813
bonds (distance) P-C4' energy: -74.691
flat angles C4'-P-C4' energy: -96.215
flat angles P-C4'-P energy: -53.352
tors. eta vs tors. theta energy: -75.107
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -806.464646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.464646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.464646 (E_RNA)
where:
Base-Base interactions energy: -489.992
where: short stacking energy: -226.193
Base-Backbone interact. energy: 1.984
local terms energy: -318.457338
where:
bonds (distance) C4'-P energy: -78.194
bonds (distance) P-C4' energy: -96.645
flat angles C4'-P-C4' energy: -76.645
flat angles P-C4'-P energy: -37.797
tors. eta vs tors. theta energy: -29.178
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: 74
Temperature: 0.900000
Total energy: -1822.947875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.947875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.947875 (E_RNA)
where:
Base-Base interactions energy: -1283.782
where: short stacking energy: -543.411
Base-Backbone interact. energy: -0.580
local terms energy: -538.586201
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -94.757
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -82.448
tors. eta vs tors. theta energy: -153.757
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: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1750.181212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.181212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.181212 (E_RNA)
where:
Base-Base interactions energy: -1221.871
where: short stacking energy: -522.873
Base-Backbone interact. energy: -3.928
local terms energy: -524.382196
where:
bonds (distance) C4'-P energy: -92.256
bonds (distance) P-C4' energy: -86.673
flat angles C4'-P-C4' energy: -115.966
flat angles P-C4'-P energy: -82.307
tors. eta vs tors. theta energy: -147.181
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1706.616286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.616286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.616286 (E_RNA)
where:
Base-Base interactions energy: -1199.122
where: short stacking energy: -500.629
Base-Backbone interact. energy: -1.047
local terms energy: -506.446713
where:
bonds (distance) C4'-P energy: -101.160
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -112.469
flat angles P-C4'-P energy: -68.970
tors. eta vs tors. theta energy: -144.341
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: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1657.614611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.614611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.614611 (E_RNA)
where:
Base-Base interactions energy: -1148.759
where: short stacking energy: -480.492
Base-Backbone interact. energy: 4.524
local terms energy: -513.379806
where:
bonds (distance) C4'-P energy: -99.235
bonds (distance) P-C4' energy: -97.689
flat angles C4'-P-C4' energy: -107.142
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -136.976
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: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1545.374710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.374710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.374710 (E_RNA)
where:
Base-Base interactions energy: -1078.212
where: short stacking energy: -448.232
Base-Backbone interact. energy: 0.013
local terms energy: -467.175664
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -84.672
flat angles C4'-P-C4' energy: -86.466
flat angles P-C4'-P energy: -75.376
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: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1492.153304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.153304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.153304 (E_RNA)
where:
Base-Base interactions energy: -1030.984
where: short stacking energy: -437.042
Base-Backbone interact. energy: -1.780
local terms energy: -459.388821
where:
bonds (distance) C4'-P energy: -86.292
bonds (distance) P-C4' energy: -90.109
flat angles C4'-P-C4' energy: -99.912
flat angles P-C4'-P energy: -63.894
tors. eta vs tors. theta energy: -119.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1434.501076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.501076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.501076 (E_RNA)
where:
Base-Base interactions energy: -990.686
where: short stacking energy: -404.515
Base-Backbone interact. energy: 0.012
local terms energy: -443.827552
where:
bonds (distance) C4'-P energy: -77.255
bonds (distance) P-C4' energy: -87.446
flat angles C4'-P-C4' energy: -95.162
flat angles P-C4'-P energy: -69.462
tors. eta vs tors. theta energy: -114.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1230.886279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.886279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.886279 (E_RNA)
where:
Base-Base interactions energy: -821.568
where: short stacking energy: -355.110
Base-Backbone interact. energy: -1.602
local terms energy: -407.717075
where:
bonds (distance) C4'-P energy: -79.787
bonds (distance) P-C4' energy: -81.227
flat angles C4'-P-C4' energy: -96.283
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -88.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1084.640100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.640100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.640100 (E_RNA)
where:
Base-Base interactions energy: -748.018
where: short stacking energy: -326.502
Base-Backbone interact. energy: 1.970
local terms energy: -338.592426
where:
bonds (distance) C4'-P energy: -81.155
bonds (distance) P-C4' energy: -74.186
flat angles C4'-P-C4' energy: -85.289
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -53.226
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: 74
Temperature: 1.350000
Total energy: -822.994035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.994035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.994035 (E_RNA)
where:
Base-Base interactions energy: -499.947
where: short stacking energy: -233.958
Base-Backbone interact. energy: -0.700
local terms energy: -322.346582
where:
bonds (distance) C4'-P energy: -87.506
bonds (distance) P-C4' energy: -104.713
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: -35.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1788.390195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.390195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.390195 (E_RNA)
where:
Base-Base interactions energy: -1262.250
where: short stacking energy: -536.821
Base-Backbone interact. energy: -1.744
local terms energy: -524.395591
where:
bonds (distance) C4'-P energy: -93.795
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -111.424
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -152.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1762.343723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.343723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.343723 (E_RNA)
where:
Base-Base interactions energy: -1234.458
where: short stacking energy: -524.736
Base-Backbone interact. energy: -2.138
local terms energy: -525.747407
where:
bonds (distance) C4'-P energy: -94.727
bonds (distance) P-C4' energy: -91.886
flat angles C4'-P-C4' energy: -112.167
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -147.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1699.674484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.674484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.674484 (E_RNA)
where:
Base-Base interactions energy: -1201.762
where: short stacking energy: -486.235
Base-Backbone interact. energy: -3.617
local terms energy: -494.294938
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -92.081
flat angles C4'-P-C4' energy: -109.021
flat angles P-C4'-P energy: -68.818
tors. eta vs tors. theta energy: -131.818
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: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1662.457440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.457440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.457440 (E_RNA)
where:
Base-Base interactions energy: -1169.176
where: short stacking energy: -509.987
Base-Backbone interact. energy: -1.156
local terms energy: -492.125837
where:
bonds (distance) C4'-P energy: -88.998
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -102.645
flat angles P-C4'-P energy: -65.136
tors. eta vs tors. theta energy: -140.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1569.644710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.644710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.644710 (E_RNA)
where:
Base-Base interactions energy: -1088.716
where: short stacking energy: -469.602
Base-Backbone interact. energy: -2.422
local terms energy: -478.506627
where:
bonds (distance) C4'-P energy: -94.420
bonds (distance) P-C4' energy: -93.894
flat angles C4'-P-C4' energy: -89.507
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -130.819
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1504.545605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.545605 (E_RNA)
where:
Base-Base interactions energy: -1053.681
where: short stacking energy: -451.837
Base-Backbone interact. energy: -1.262
local terms energy: -449.602803
where:
bonds (distance) C4'-P energy: -80.962
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -102.127
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -116.724
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: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1470.937692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.937692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.937692 (E_RNA)
where:
Base-Base interactions energy: -1034.852
where: short stacking energy: -422.279
Base-Backbone interact. energy: -1.515
local terms energy: -434.570452
where:
bonds (distance) C4'-P energy: -67.388
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -91.030
flat angles P-C4'-P energy: -71.114
tors. eta vs tors. theta energy: -110.424
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1222.220591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.220591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.220591 (E_RNA)
where:
Base-Base interactions energy: -845.706
where: short stacking energy: -360.146
Base-Backbone interact. energy: 0.440
local terms energy: -376.954286
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -81.966
flat angles C4'-P-C4' energy: -82.309
flat angles P-C4'-P energy: -58.805
tors. eta vs tors. theta energy: -86.436
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: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1098.151556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.151556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.151556 (E_RNA)
where:
Base-Base interactions energy: -749.349
where: short stacking energy: -315.096
Base-Backbone interact. energy: -1.220
local terms energy: -347.582653
where:
bonds (distance) C4'-P energy: -80.115
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -87.193
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -62.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -723.794556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.794556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.794556 (E_RNA)
where:
Base-Base interactions energy: -429.818
where: short stacking energy: -189.557
Base-Backbone interact. energy: -1.143
local terms energy: -292.834061
where:
bonds (distance) C4'-P energy: -77.146
bonds (distance) P-C4' energy: -66.270
flat angles C4'-P-C4' energy: -73.263
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1808.334572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.334572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.334572 (E_RNA)
where:
Base-Base interactions energy: -1274.899
where: short stacking energy: -536.552
Base-Backbone interact. energy: 1.263
local terms energy: -534.698397
where:
bonds (distance) C4'-P energy: -97.723
bonds (distance) P-C4' energy: -92.660
flat angles C4'-P-C4' energy: -107.642
flat angles P-C4'-P energy: -78.709
tors. eta vs tors. theta energy: -157.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1762.290213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.290213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.290213 (E_RNA)
where:
Base-Base interactions energy: -1230.210
where: short stacking energy: -536.269
Base-Backbone interact. energy: -1.654
local terms energy: -530.426369
where:
bonds (distance) C4'-P energy: -102.764
bonds (distance) P-C4' energy: -90.810
flat angles C4'-P-C4' energy: -113.072
flat angles P-C4'-P energy: -71.920
tors. eta vs tors. theta energy: -151.859
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1695.385897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.385897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.385897 (E_RNA)
where:
Base-Base interactions energy: -1186.960
where: short stacking energy: -511.598
Base-Backbone interact. energy: -2.621
local terms energy: -505.804962
where:
bonds (distance) C4'-P energy: -91.110
bonds (distance) P-C4' energy: -88.972
flat angles C4'-P-C4' energy: -103.253
flat angles P-C4'-P energy: -74.740
tors. eta vs tors. theta energy: -147.729
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: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1680.141063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.141063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.141063 (E_RNA)
where:
Base-Base interactions energy: -1175.385
where: short stacking energy: -469.096
Base-Backbone interact. energy: -2.618
local terms energy: -502.138031
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -83.738
flat angles C4'-P-C4' energy: -111.758
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -137.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1555.819070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.819070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.819070 (E_RNA)
where:
Base-Base interactions energy: -1094.098
where: short stacking energy: -473.255
Base-Backbone interact. energy: -2.000
local terms energy: -459.720414
where:
bonds (distance) C4'-P energy: -84.995
bonds (distance) P-C4' energy: -83.389
flat angles C4'-P-C4' energy: -102.373
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -133.706
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: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1418.545922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.545922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.545922 (E_RNA)
where:
Base-Base interactions energy: -988.015
where: short stacking energy: -415.893
Base-Backbone interact. energy: -1.093
local terms energy: -429.437127
where:
bonds (distance) C4'-P energy: -88.631
bonds (distance) P-C4' energy: -80.977
flat angles C4'-P-C4' energy: -88.364
flat angles P-C4'-P energy: -63.169
tors. eta vs tors. theta energy: -108.296
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: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1413.640537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.640537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.640537 (E_RNA)
where:
Base-Base interactions energy: -997.989
where: short stacking energy: -395.583
Base-Backbone interact. energy: -0.161
local terms energy: -415.489698
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -83.521
flat angles C4'-P-C4' energy: -82.372
flat angles P-C4'-P energy: -56.615
tors. eta vs tors. theta energy: -102.492
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: 76
Temperature: 1.250000
Total energy: -1200.572614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.572614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.572614 (E_RNA)
where:
Base-Base interactions energy: -815.717
where: short stacking energy: -351.437
Base-Backbone interact. energy: -0.060
local terms energy: -384.795548
where:
bonds (distance) C4'-P energy: -68.883
bonds (distance) P-C4' energy: -95.196
flat angles C4'-P-C4' energy: -85.700
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -77.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1047.866742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.866742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.866742 (E_RNA)
where:
Base-Base interactions energy: -713.792
where: short stacking energy: -319.568
Base-Backbone interact. energy: -1.156
local terms energy: -332.918661
where:
bonds (distance) C4'-P energy: -72.417
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -71.951
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -63.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -774.576739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.576739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.576739 (E_RNA)
where:
Base-Base interactions energy: -497.566
where: short stacking energy: -229.526
Base-Backbone interact. energy: 7.609
local terms energy: -284.619817
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -75.982
flat angles C4'-P-C4' energy: -75.763
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -30.611
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1813.719316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.719316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.719316 (E_RNA)
where:
Base-Base interactions energy: -1268.887
where: short stacking energy: -552.680
Base-Backbone interact. energy: -0.084
local terms energy: -544.748662
where:
bonds (distance) C4'-P energy: -96.550
bonds (distance) P-C4' energy: -101.720
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -157.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1766.305927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.305927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.305927 (E_RNA)
where:
Base-Base interactions energy: -1250.141
where: short stacking energy: -545.844
Base-Backbone interact. energy: -1.647
local terms energy: -514.517877
where:
bonds (distance) C4'-P energy: -94.639
bonds (distance) P-C4' energy: -85.700
flat angles C4'-P-C4' energy: -108.999
flat angles P-C4'-P energy: -71.246
tors. eta vs tors. theta energy: -153.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1705.207423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.207423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.207423 (E_RNA)
where:
Base-Base interactions energy: -1218.120
where: short stacking energy: -511.456
Base-Backbone interact. energy: -2.202
local terms energy: -484.885464
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -87.635
flat angles C4'-P-C4' energy: -105.054
flat angles P-C4'-P energy: -77.553
tors. eta vs tors. theta energy: -139.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1660.321344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.321344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.321344 (E_RNA)
where:
Base-Base interactions energy: -1154.801
where: short stacking energy: -490.800
Base-Backbone interact. energy: -2.442
local terms energy: -503.078545
where:
bonds (distance) C4'-P energy: -97.974
bonds (distance) P-C4' energy: -80.417
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -80.189
tors. eta vs tors. theta energy: -135.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1531.548564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.548564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.548564 (E_RNA)
where:
Base-Base interactions energy: -1072.111
where: short stacking energy: -465.472
Base-Backbone interact. energy: -1.435
local terms energy: -458.002751
where:
bonds (distance) C4'-P energy: -77.989
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -109.328
flat angles P-C4'-P energy: -64.702
tors. eta vs tors. theta energy: -131.687
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1494.318107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.318107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.318107 (E_RNA)
where:
Base-Base interactions energy: -1056.730
where: short stacking energy: -414.704
Base-Backbone interact. energy: -2.321
local terms energy: -435.267545
where:
bonds (distance) C4'-P energy: -63.936
bonds (distance) P-C4' energy: -89.660
flat angles C4'-P-C4' energy: -100.863
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -112.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1370.997302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.997302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.997302 (E_RNA)
where:
Base-Base interactions energy: -952.163
where: short stacking energy: -385.024
Base-Backbone interact. energy: -1.071
local terms energy: -417.763601
where:
bonds (distance) C4'-P energy: -91.757
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -103.355
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: 77
Temperature: 1.250000
Total energy: -1150.216843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.216843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.216843 (E_RNA)
where:
Base-Base interactions energy: -773.007
where: short stacking energy: -349.407
Base-Backbone interact. energy: -0.420
local terms energy: -376.790547
where:
bonds (distance) C4'-P energy: -75.786
bonds (distance) P-C4' energy: -74.123
flat angles C4'-P-C4' energy: -88.322
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -83.256
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1018.980441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.980441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.980441 (E_RNA)
where:
Base-Base interactions energy: -716.052
where: short stacking energy: -300.010
Base-Backbone interact. energy: -3.440
local terms energy: -299.489255
where:
bonds (distance) C4'-P energy: -56.243
bonds (distance) P-C4' energy: -77.132
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -53.254
tors. eta vs tors. theta energy: -45.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -701.397734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.397734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.397734 (E_RNA)
where:
Base-Base interactions energy: -418.724
where: short stacking energy: -182.029
Base-Backbone interact. energy: -3.180
local terms energy: -279.493934
where:
bonds (distance) C4'-P energy: -79.884
bonds (distance) P-C4' energy: -72.334
flat angles C4'-P-C4' energy: -82.443
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1824.634925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.634925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.634925 (E_RNA)
where:
Base-Base interactions energy: -1285.479
where: short stacking energy: -551.306
Base-Backbone interact. energy: -0.360
local terms energy: -538.795711
where:
bonds (distance) C4'-P energy: -99.056
bonds (distance) P-C4' energy: -96.334
flat angles C4'-P-C4' energy: -114.362
flat angles P-C4'-P energy: -73.228
tors. eta vs tors. theta energy: -155.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1756.835863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.835863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.835863 (E_RNA)
where:
Base-Base interactions energy: -1232.318
where: short stacking energy: -531.362
Base-Backbone interact. energy: 1.011
local terms energy: -525.528926
where:
bonds (distance) C4'-P energy: -95.592
bonds (distance) P-C4' energy: -88.377
flat angles C4'-P-C4' energy: -108.503
flat angles P-C4'-P energy: -73.058
tors. eta vs tors. theta energy: -159.999
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: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1675.899746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.899746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.899746 (E_RNA)
where:
Base-Base interactions energy: -1167.810
where: short stacking energy: -493.642
Base-Backbone interact. energy: 1.572
local terms energy: -509.661579
where:
bonds (distance) C4'-P energy: -95.255
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -106.978
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -131.436
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: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1631.114567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.114567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.114567 (E_RNA)
where:
Base-Base interactions energy: -1165.609
where: short stacking energy: -491.121
Base-Backbone interact. energy: -0.960
local terms energy: -464.545579
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -91.800
flat angles P-C4'-P energy: -63.032
tors. eta vs tors. theta energy: -135.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1567.856174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.856174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.856174 (E_RNA)
where:
Base-Base interactions energy: -1088.003
where: short stacking energy: -452.008
Base-Backbone interact. energy: 0.437
local terms energy: -480.290313
where:
bonds (distance) C4'-P energy: -90.585
bonds (distance) P-C4' energy: -94.447
flat angles C4'-P-C4' energy: -105.199
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -118.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1537.196796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.196796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.196796 (E_RNA)
where:
Base-Base interactions energy: -1102.010
where: short stacking energy: -459.145
Base-Backbone interact. energy: -1.192
local terms energy: -433.995540
where:
bonds (distance) C4'-P energy: -78.185
bonds (distance) P-C4' energy: -81.948
flat angles C4'-P-C4' energy: -93.639
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -118.921
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: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1346.433226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.433226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.433226 (E_RNA)
where:
Base-Base interactions energy: -938.387
where: short stacking energy: -404.002
Base-Backbone interact. energy: -1.640
local terms energy: -406.407054
where:
bonds (distance) C4'-P energy: -87.234
bonds (distance) P-C4' energy: -69.559
flat angles C4'-P-C4' energy: -91.005
flat angles P-C4'-P energy: -54.225
tors. eta vs tors. theta energy: -104.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1212.516533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.516533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.516533 (E_RNA)
where:
Base-Base interactions energy: -852.379
where: short stacking energy: -347.961
Base-Backbone interact. energy: 1.804
local terms energy: -361.941764
where:
bonds (distance) C4'-P energy: -85.952
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -77.880
flat angles P-C4'-P energy: -35.485
tors. eta vs tors. theta energy: -81.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1042.028442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.028442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.028442 (E_RNA)
where:
Base-Base interactions energy: -679.604
where: short stacking energy: -298.650
Base-Backbone interact. energy: -2.040
local terms energy: -360.384414
where:
bonds (distance) C4'-P energy: -70.784
bonds (distance) P-C4' energy: -75.574
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -53.682
tors. eta vs tors. theta energy: -68.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -719.405509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.405509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.405509 (E_RNA)
where:
Base-Base interactions energy: -427.431
where: short stacking energy: -217.576
Base-Backbone interact. energy: -1.457
local terms energy: -290.517862
where:
bonds (distance) C4'-P energy: -81.941
bonds (distance) P-C4' energy: -79.034
flat angles C4'-P-C4' energy: -70.631
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1833.370610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.370610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.370610 (E_RNA)
where:
Base-Base interactions energy: -1288.413
where: short stacking energy: -548.583
Base-Backbone interact. energy: 0.355
local terms energy: -545.312365
where:
bonds (distance) C4'-P energy: -82.548
bonds (distance) P-C4' energy: -107.676
flat angles C4'-P-C4' energy: -113.040
flat angles P-C4'-P energy: -79.332
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1765.046223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.046223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.046223 (E_RNA)
where:
Base-Base interactions energy: -1229.229
where: short stacking energy: -525.026
Base-Backbone interact. energy: -2.863
local terms energy: -532.953692
where:
bonds (distance) C4'-P energy: -85.455
bonds (distance) P-C4' energy: -106.780
flat angles C4'-P-C4' energy: -112.514
flat angles P-C4'-P energy: -73.198
tors. eta vs tors. theta energy: -155.006
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1684.855404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.855404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.855404 (E_RNA)
where:
Base-Base interactions energy: -1165.203
where: short stacking energy: -473.749
Base-Backbone interact. energy: 1.312
local terms energy: -520.964543
where:
bonds (distance) C4'-P energy: -94.573
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -109.223
flat angles P-C4'-P energy: -80.445
tors. eta vs tors. theta energy: -138.489
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1655.851182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.851182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.851182 (E_RNA)
where:
Base-Base interactions energy: -1165.891
where: short stacking energy: -481.450
Base-Backbone interact. energy: -1.715
local terms energy: -488.244947
where:
bonds (distance) C4'-P energy: -79.137
bonds (distance) P-C4' energy: -97.304
flat angles C4'-P-C4' energy: -98.139
flat angles P-C4'-P energy: -79.566
tors. eta vs tors. theta energy: -134.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1530.560504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.560504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.560504 (E_RNA)
where:
Base-Base interactions energy: -1074.388
where: short stacking energy: -461.472
Base-Backbone interact. energy: -1.095
local terms energy: -455.077052
where:
bonds (distance) C4'-P energy: -78.237
bonds (distance) P-C4' energy: -81.809
flat angles C4'-P-C4' energy: -107.061
flat angles P-C4'-P energy: -69.066
tors. eta vs tors. theta energy: -118.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1558.307545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.307545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.307545 (E_RNA)
where:
Base-Base interactions energy: -1120.263
where: short stacking energy: -469.854
Base-Backbone interact. energy: -1.003
local terms energy: -437.041456
where:
bonds (distance) C4'-P energy: -70.827
bonds (distance) P-C4' energy: -76.169
flat angles C4'-P-C4' energy: -103.590
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -126.603
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: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1360.509912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.509912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.509912 (E_RNA)
where:
Base-Base interactions energy: -935.560
where: short stacking energy: -391.467
Base-Backbone interact. energy: -1.725
local terms energy: -423.224480
where:
bonds (distance) C4'-P energy: -79.383
bonds (distance) P-C4' energy: -78.469
flat angles C4'-P-C4' energy: -103.387
flat angles P-C4'-P energy: -61.941
tors. eta vs tors. theta energy: -100.044
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: 79
Temperature: 1.250000
Total energy: -1202.040400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.040400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.040400 (E_RNA)
where:
Base-Base interactions energy: -814.368
where: short stacking energy: -346.021
Base-Backbone interact. energy: 3.267
local terms energy: -390.939397
where:
bonds (distance) C4'-P energy: -81.710
bonds (distance) P-C4' energy: -78.758
flat angles C4'-P-C4' energy: -83.750
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -90.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1001.788641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.788641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.788641 (E_RNA)
where:
Base-Base interactions energy: -663.779
where: short stacking energy: -298.804
Base-Backbone interact. energy: -1.191
local terms energy: -336.819416
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -79.512
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -56.097
tors. eta vs tors. theta energy: -52.735
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -684.536629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.536629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.536629 (E_RNA)
where:
Base-Base interactions energy: -401.567
where: short stacking energy: -193.351
Base-Backbone interact. energy: -1.102
local terms energy: -281.868341
where:
bonds (distance) C4'-P energy: -84.758
bonds (distance) P-C4' energy: -84.290
flat angles C4'-P-C4' energy: -73.211
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -12.055
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: 80
Temperature: 0.900000
Total energy: -1814.557374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.557374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.557374 (E_RNA)
where:
Base-Base interactions energy: -1289.261
where: short stacking energy: -540.714
Base-Backbone interact. energy: -1.238
local terms energy: -524.058329
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -98.557
flat angles P-C4'-P energy: -69.521
tors. eta vs tors. theta energy: -159.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1773.383069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.383069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.383069 (E_RNA)
where:
Base-Base interactions energy: -1243.243
where: short stacking energy: -538.289
Base-Backbone interact. energy: -2.509
local terms energy: -527.632020
where:
bonds (distance) C4'-P energy: -93.636
bonds (distance) P-C4' energy: -93.057
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -144.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1681.331378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.331378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.331378 (E_RNA)
where:
Base-Base interactions energy: -1166.195
where: short stacking energy: -497.455
Base-Backbone interact. energy: -1.183
local terms energy: -513.953874
where:
bonds (distance) C4'-P energy: -95.434
bonds (distance) P-C4' energy: -99.079
flat angles C4'-P-C4' energy: -112.531
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -137.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1630.875188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.875188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.875188 (E_RNA)
where:
Base-Base interactions energy: -1145.508
where: short stacking energy: -472.552
Base-Backbone interact. energy: -1.626
local terms energy: -483.740524
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -85.960
flat angles C4'-P-C4' energy: -101.308
flat angles P-C4'-P energy: -61.655
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: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1556.912152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.912152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.912152 (E_RNA)
where:
Base-Base interactions energy: -1069.542
where: short stacking energy: -448.163
Base-Backbone interact. energy: -0.642
local terms energy: -486.728520
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -98.123
flat angles C4'-P-C4' energy: -105.065
flat angles P-C4'-P energy: -62.390
tors. eta vs tors. theta energy: -125.972
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1483.491598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.491598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.491598 (E_RNA)
where:
Base-Base interactions energy: -1030.815
where: short stacking energy: -438.739
Base-Backbone interact. energy: -1.634
local terms energy: -451.042908
where:
bonds (distance) C4'-P energy: -77.196
bonds (distance) P-C4' energy: -75.879
flat angles C4'-P-C4' energy: -103.512
flat angles P-C4'-P energy: -73.385
tors. eta vs tors. theta energy: -121.070
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: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1373.620272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.620272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.620272 (E_RNA)
where:
Base-Base interactions energy: -951.819
where: short stacking energy: -394.092
Base-Backbone interact. energy: 1.581
local terms energy: -423.382821
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -96.358
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -103.075
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1180.666228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.666228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.666228 (E_RNA)
where:
Base-Base interactions energy: -807.922
where: short stacking energy: -341.323
Base-Backbone interact. energy: -1.781
local terms energy: -370.963300
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -88.995
flat angles C4'-P-C4' energy: -82.475
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -965.276735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.276735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.276735 (E_RNA)
where:
Base-Base interactions energy: -630.656
where: short stacking energy: -270.413
Base-Backbone interact. energy: 1.109
local terms energy: -335.730633
where:
bonds (distance) C4'-P energy: -87.705
bonds (distance) P-C4' energy: -76.205
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -43.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -712.148868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.148868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.148868 (E_RNA)
where:
Base-Base interactions energy: -435.416
where: short stacking energy: -188.935
Base-Backbone interact. energy: 1.552
local terms energy: -278.285395
where:
bonds (distance) C4'-P energy: -75.342
bonds (distance) P-C4' energy: -78.647
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -48.863
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1837.803712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.803712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.803712 (E_RNA)
where:
Base-Base interactions energy: -1293.682
where: short stacking energy: -546.704
Base-Backbone interact. energy: -0.779
local terms energy: -543.341903
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -93.794
flat angles C4'-P-C4' energy: -114.194
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -161.246
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: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1779.979712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.979712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.979712 (E_RNA)
where:
Base-Base interactions energy: -1247.569
where: short stacking energy: -548.631
Base-Backbone interact. energy: -3.631
local terms energy: -528.780468
where:
bonds (distance) C4'-P energy: -92.800
bonds (distance) P-C4' energy: -99.404
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -69.395
tors. eta vs tors. theta energy: -156.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1693.266641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.266641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.266641 (E_RNA)
where:
Base-Base interactions energy: -1180.541
where: short stacking energy: -511.217
Base-Backbone interact. energy: 0.681
local terms energy: -513.406424
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -111.691
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: -139.756
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1650.233998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.233998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.233998 (E_RNA)
where:
Base-Base interactions energy: -1138.685
where: short stacking energy: -470.889
Base-Backbone interact. energy: -2.626
local terms energy: -508.922977
where:
bonds (distance) C4'-P energy: -97.206
bonds (distance) P-C4' energy: -97.699
flat angles C4'-P-C4' energy: -107.418
flat angles P-C4'-P energy: -72.191
tors. eta vs tors. theta energy: -134.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1575.615324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.615324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.615324 (E_RNA)
where:
Base-Base interactions energy: -1152.151
where: short stacking energy: -475.894
Base-Backbone interact. energy: -0.906
local terms energy: -422.559130
where:
bonds (distance) C4'-P energy: -77.389
bonds (distance) P-C4' energy: -75.031
flat angles C4'-P-C4' energy: -92.879
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -127.143
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1534.284069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.284069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.284069 (E_RNA)
where:
Base-Base interactions energy: -1074.464
where: short stacking energy: -445.240
Base-Backbone interact. energy: -2.325
local terms energy: -457.494253
where:
bonds (distance) C4'-P energy: -85.877
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -105.979
flat angles P-C4'-P energy: -69.439
tors. eta vs tors. theta energy: -109.147
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: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1364.170682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.170682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.170682 (E_RNA)
where:
Base-Base interactions energy: -947.655
where: short stacking energy: -411.995
Base-Backbone interact. energy: -1.682
local terms energy: -414.833963
where:
bonds (distance) C4'-P energy: -80.191
bonds (distance) P-C4' energy: -68.252
flat angles C4'-P-C4' energy: -99.846
flat angles P-C4'-P energy: -60.142
tors. eta vs tors. theta energy: -106.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1194.714392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.714392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.714392 (E_RNA)
where:
Base-Base interactions energy: -799.763
where: short stacking energy: -328.061
Base-Backbone interact. energy: -1.364
local terms energy: -393.587629
where:
bonds (distance) C4'-P energy: -72.677
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -86.826
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -71.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1032.814067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.814067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.814067 (E_RNA)
where:
Base-Base interactions energy: -671.704
where: short stacking energy: -291.495
Base-Backbone interact. energy: -0.545
local terms energy: -360.565502
where:
bonds (distance) C4'-P energy: -78.522
bonds (distance) P-C4' energy: -79.243
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -56.916
tors. eta vs tors. theta energy: -67.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -741.419018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.419018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.419018 (E_RNA)
where:
Base-Base interactions energy: -449.467
where: short stacking energy: -205.923
Base-Backbone interact. energy: -2.831
local terms energy: -289.120443
where:
bonds (distance) C4'-P energy: -76.806
bonds (distance) P-C4' energy: -86.174
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -21.754
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: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1826.456811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.456811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.456811 (E_RNA)
where:
Base-Base interactions energy: -1268.250
where: short stacking energy: -561.522
Base-Backbone interact. energy: -1.548
local terms energy: -556.659060
where:
bonds (distance) C4'-P energy: -94.720
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -118.652
flat angles P-C4'-P energy: -87.453
tors. eta vs tors. theta energy: -165.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1786.359571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.359571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.359571 (E_RNA)
where:
Base-Base interactions energy: -1250.779
where: short stacking energy: -526.014
Base-Backbone interact. energy: -1.600
local terms energy: -533.980613
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -92.328
flat angles C4'-P-C4' energy: -115.021
flat angles P-C4'-P energy: -76.657
tors. eta vs tors. theta energy: -153.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1680.408706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.408706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.408706 (E_RNA)
where:
Base-Base interactions energy: -1169.459
where: short stacking energy: -484.434
Base-Backbone interact. energy: -1.806
local terms energy: -509.143235
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -87.975
flat angles C4'-P-C4' energy: -103.555
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -137.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1637.707601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.707601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.707601 (E_RNA)
where:
Base-Base interactions energy: -1168.181
where: short stacking energy: -491.321
Base-Backbone interact. energy: -0.923
local terms energy: -468.603723
where:
bonds (distance) C4'-P energy: -80.503
bonds (distance) P-C4' energy: -87.534
flat angles C4'-P-C4' energy: -99.540
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -139.633
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1572.528170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.528170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.528170 (E_RNA)
where:
Base-Base interactions energy: -1116.800
where: short stacking energy: -483.062
Base-Backbone interact. energy: -2.129
local terms energy: -453.598621
where:
bonds (distance) C4'-P energy: -75.388
bonds (distance) P-C4' energy: -86.895
flat angles C4'-P-C4' energy: -102.745
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -134.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1523.740167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.740167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.740167 (E_RNA)
where:
Base-Base interactions energy: -1065.763
where: short stacking energy: -438.366
Base-Backbone interact. energy: -3.350
local terms energy: -454.627265
where:
bonds (distance) C4'-P energy: -71.648
bonds (distance) P-C4' energy: -93.021
flat angles C4'-P-C4' energy: -103.009
flat angles P-C4'-P energy: -66.501
tors. eta vs tors. theta energy: -120.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1439.579947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.579947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.579947 (E_RNA)
where:
Base-Base interactions energy: -1024.189
where: short stacking energy: -438.386
Base-Backbone interact. energy: -0.214
local terms energy: -415.176972
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -87.454
flat angles P-C4'-P energy: -68.075
tors. eta vs tors. theta energy: -122.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1211.561404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.561404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.561404 (E_RNA)
where:
Base-Base interactions energy: -848.377
where: short stacking energy: -361.494
Base-Backbone interact. energy: -0.243
local terms energy: -362.941237
where:
bonds (distance) C4'-P energy: -70.903
bonds (distance) P-C4' energy: -79.080
flat angles C4'-P-C4' energy: -88.593
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -87.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1007.206310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.206310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.206310 (E_RNA)
where:
Base-Base interactions energy: -684.766
where: short stacking energy: -297.058
Base-Backbone interact. energy: 0.126
local terms energy: -322.566296
where:
bonds (distance) C4'-P energy: -74.800
bonds (distance) P-C4' energy: -67.197
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -33.303
tors. eta vs tors. theta energy: -61.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -741.130166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.130166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.130166 (E_RNA)
where:
Base-Base interactions energy: -439.490
where: short stacking energy: -181.485
Base-Backbone interact. energy: 4.653
local terms energy: -306.293459
where:
bonds (distance) C4'-P energy: -77.508
bonds (distance) P-C4' energy: -89.792
flat angles C4'-P-C4' energy: -79.990
flat angles P-C4'-P energy: -53.548
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1831.035562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.035562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.035562 (E_RNA)
where:
Base-Base interactions energy: -1288.833
where: short stacking energy: -577.322
Base-Backbone interact. energy: -3.671
local terms energy: -538.532416
where:
bonds (distance) C4'-P energy: -93.908
bonds (distance) P-C4' energy: -84.048
flat angles C4'-P-C4' energy: -117.002
flat angles P-C4'-P energy: -79.697
tors. eta vs tors. theta energy: -163.877
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: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1783.529313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.529313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.529313 (E_RNA)
where:
Base-Base interactions energy: -1256.184
where: short stacking energy: -533.709
Base-Backbone interact. energy: -2.060
local terms energy: -525.286019
where:
bonds (distance) C4'-P energy: -83.239
bonds (distance) P-C4' energy: -91.259
flat angles C4'-P-C4' energy: -113.223
flat angles P-C4'-P energy: -79.496
tors. eta vs tors. theta energy: -158.068
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: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1700.197285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.197285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.197285 (E_RNA)
where:
Base-Base interactions energy: -1205.026
where: short stacking energy: -492.651
Base-Backbone interact. energy: 0.892
local terms energy: -496.063442
where:
bonds (distance) C4'-P energy: -98.977
bonds (distance) P-C4' energy: -94.238
flat angles C4'-P-C4' energy: -103.476
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -137.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1651.014209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.014209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.014209 (E_RNA)
where:
Base-Base interactions energy: -1166.155
where: short stacking energy: -508.848
Base-Backbone interact. energy: -2.142
local terms energy: -482.718042
where:
bonds (distance) C4'-P energy: -88.009
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -94.249
flat angles P-C4'-P energy: -55.619
tors. eta vs tors. theta energy: -148.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1605.749799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.749799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.749799 (E_RNA)
where:
Base-Base interactions energy: -1154.830
where: short stacking energy: -481.198
Base-Backbone interact. energy: -2.064
local terms energy: -448.855293
where:
bonds (distance) C4'-P energy: -79.316
bonds (distance) P-C4' energy: -85.768
flat angles C4'-P-C4' energy: -98.964
flat angles P-C4'-P energy: -58.329
tors. eta vs tors. theta energy: -126.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1490.115189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.115189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.115189 (E_RNA)
where:
Base-Base interactions energy: -1041.641
where: short stacking energy: -444.383
Base-Backbone interact. energy: 0.720
local terms energy: -449.194144
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -87.263
flat angles C4'-P-C4' energy: -100.064
flat angles P-C4'-P energy: -64.477
tors. eta vs tors. theta energy: -127.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1411.075005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.075005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.075005 (E_RNA)
where:
Base-Base interactions energy: -992.277
where: short stacking energy: -403.478
Base-Backbone interact. energy: -1.756
local terms energy: -417.041910
where:
bonds (distance) C4'-P energy: -74.271
bonds (distance) P-C4' energy: -78.201
flat angles C4'-P-C4' energy: -91.747
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -117.412
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: 83
Temperature: 1.250000
Total energy: -1283.070140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.070140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.070140 (E_RNA)
where:
Base-Base interactions energy: -891.041
where: short stacking energy: -358.263
Base-Backbone interact. energy: -0.914
local terms energy: -391.115021
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -74.121
flat angles C4'-P-C4' energy: -93.778
flat angles P-C4'-P energy: -55.646
tors. eta vs tors. theta energy: -85.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1067.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.900481 (E_RNA)
where:
Base-Base interactions energy: -690.312
where: short stacking energy: -297.781
Base-Backbone interact. energy: -1.238
local terms energy: -376.350316
where:
bonds (distance) C4'-P energy: -61.793
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -90.622
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -68.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -763.142109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.142109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.142109 (E_RNA)
where:
Base-Base interactions energy: -447.109
where: short stacking energy: -204.649
Base-Backbone interact. energy: -0.703
local terms energy: -315.329902
where:
bonds (distance) C4'-P energy: -64.715
bonds (distance) P-C4' energy: -86.140
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1848.026720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.026720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.026720 (E_RNA)
where:
Base-Base interactions energy: -1298.262
where: short stacking energy: -564.069
Base-Backbone interact. energy: -2.485
local terms energy: -547.280133
where:
bonds (distance) C4'-P energy: -100.399
bonds (distance) P-C4' energy: -100.596
flat angles C4'-P-C4' energy: -104.448
flat angles P-C4'-P energy: -85.417
tors. eta vs tors. theta energy: -156.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1768.474553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.474553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.474553 (E_RNA)
where:
Base-Base interactions energy: -1247.255
where: short stacking energy: -514.211
Base-Backbone interact. energy: -3.169
local terms energy: -518.051072
where:
bonds (distance) C4'-P energy: -94.728
bonds (distance) P-C4' energy: -85.881
flat angles C4'-P-C4' energy: -116.398
flat angles P-C4'-P energy: -72.516
tors. eta vs tors. theta energy: -148.527
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: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1714.179756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.179756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.179756 (E_RNA)
where:
Base-Base interactions energy: -1201.198
where: short stacking energy: -507.289
Base-Backbone interact. energy: -2.167
local terms energy: -510.814891
where:
bonds (distance) C4'-P energy: -82.574
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -113.416
flat angles P-C4'-P energy: -73.022
tors. eta vs tors. theta energy: -141.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1605.215149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.215149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.215149 (E_RNA)
where:
Base-Base interactions energy: -1110.561
where: short stacking energy: -494.469
Base-Backbone interact. energy: 0.588
local terms energy: -495.242958
where:
bonds (distance) C4'-P energy: -94.972
bonds (distance) P-C4' energy: -95.421
flat angles C4'-P-C4' energy: -95.651
flat angles P-C4'-P energy: -74.690
tors. eta vs tors. theta energy: -134.509
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: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1588.149160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.149160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.149160 (E_RNA)
where:
Base-Base interactions energy: -1118.690
where: short stacking energy: -452.141
Base-Backbone interact. energy: 3.358
local terms energy: -472.816647
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -84.816
flat angles C4'-P-C4' energy: -105.113
flat angles P-C4'-P energy: -68.345
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1531.890675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.890675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.890675 (E_RNA)
where:
Base-Base interactions energy: -1073.104
where: short stacking energy: -441.613
Base-Backbone interact. energy: -1.023
local terms energy: -457.763116
where:
bonds (distance) C4'-P energy: -86.381
bonds (distance) P-C4' energy: -93.223
flat angles C4'-P-C4' energy: -100.554
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -118.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1375.034155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.034155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.034155 (E_RNA)
where:
Base-Base interactions energy: -963.463
where: short stacking energy: -401.418
Base-Backbone interact. energy: 1.018
local terms energy: -412.589650
where:
bonds (distance) C4'-P energy: -69.991
bonds (distance) P-C4' energy: -78.548
flat angles C4'-P-C4' energy: -100.873
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -105.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1327.548963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.548963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.548963 (E_RNA)
where:
Base-Base interactions energy: -924.771
where: short stacking energy: -368.594
Base-Backbone interact. energy: 0.152
local terms energy: -402.929790
where:
bonds (distance) C4'-P energy: -80.127
bonds (distance) P-C4' energy: -71.613
flat angles C4'-P-C4' energy: -91.820
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -101.409
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: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1038.213522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.213522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.213522 (E_RNA)
where:
Base-Base interactions energy: -687.547
where: short stacking energy: -292.839
Base-Backbone interact. energy: -1.417
local terms energy: -349.249695
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -78.371
flat angles C4'-P-C4' energy: -79.836
flat angles P-C4'-P energy: -54.929
tors. eta vs tors. theta energy: -66.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -707.794963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.794963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.794963 (E_RNA)
where:
Base-Base interactions energy: -422.867
where: short stacking energy: -210.395
Base-Backbone interact. energy: -1.739
local terms energy: -283.188449
where:
bonds (distance) C4'-P energy: -70.135
bonds (distance) P-C4' energy: -72.141
flat angles C4'-P-C4' energy: -70.167
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1846.013883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.013883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.013883 (E_RNA)
where:
Base-Base interactions energy: -1280.193
where: short stacking energy: -541.194
Base-Backbone interact. energy: -1.437
local terms energy: -564.384325
where:
bonds (distance) C4'-P energy: -110.341
bonds (distance) P-C4' energy: -93.979
flat angles C4'-P-C4' energy: -123.042
flat angles P-C4'-P energy: -78.256
tors. eta vs tors. theta energy: -158.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1797.871340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.871340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.871340 (E_RNA)
where:
Base-Base interactions energy: -1257.610
where: short stacking energy: -533.512
Base-Backbone interact. energy: -1.517
local terms energy: -538.744821
where:
bonds (distance) C4'-P energy: -92.960
bonds (distance) P-C4' energy: -92.280
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -75.013
tors. eta vs tors. theta energy: -162.691
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1719.925386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.925386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.925386 (E_RNA)
where:
Base-Base interactions energy: -1222.185
where: short stacking energy: -519.022
Base-Backbone interact. energy: 0.112
local terms energy: -497.852594
where:
bonds (distance) C4'-P energy: -97.428
bonds (distance) P-C4' energy: -85.796
flat angles C4'-P-C4' energy: -97.975
flat angles P-C4'-P energy: -70.808
tors. eta vs tors. theta energy: -145.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1645.485719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.485719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.485719 (E_RNA)
where:
Base-Base interactions energy: -1150.788
where: short stacking energy: -492.079
Base-Backbone interact. energy: -0.462
local terms energy: -494.236061
where:
bonds (distance) C4'-P energy: -77.123
bonds (distance) P-C4' energy: -99.215
flat angles C4'-P-C4' energy: -113.881
flat angles P-C4'-P energy: -63.328
tors. eta vs tors. theta energy: -140.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1604.697954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.697954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.697954 (E_RNA)
where:
Base-Base interactions energy: -1132.589
where: short stacking energy: -485.969
Base-Backbone interact. energy: -0.614
local terms energy: -471.494743
where:
bonds (distance) C4'-P energy: -79.439
bonds (distance) P-C4' energy: -83.250
flat angles C4'-P-C4' energy: -106.198
flat angles P-C4'-P energy: -71.518
tors. eta vs tors. theta energy: -131.090
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: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1498.531162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.531162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.531162 (E_RNA)
where:
Base-Base interactions energy: -1032.382
where: short stacking energy: -420.054
Base-Backbone interact. energy: -0.258
local terms energy: -465.890823
where:
bonds (distance) C4'-P energy: -90.298
bonds (distance) P-C4' energy: -85.800
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -113.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1390.312114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.312114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.312114 (E_RNA)
where:
Base-Base interactions energy: -954.208
where: short stacking energy: -410.135
Base-Backbone interact. energy: -1.024
local terms energy: -435.080636
where:
bonds (distance) C4'-P energy: -92.015
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -94.589
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -109.655
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: 85
Temperature: 1.250000
Total energy: -1296.787854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.787854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.787854 (E_RNA)
where:
Base-Base interactions energy: -910.392
where: short stacking energy: -366.360
Base-Backbone interact. energy: -0.932
local terms energy: -385.464275
where:
bonds (distance) C4'-P energy: -75.655
bonds (distance) P-C4' energy: -76.473
flat angles C4'-P-C4' energy: -83.385
flat angles P-C4'-P energy: -58.012
tors. eta vs tors. theta energy: -91.940
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: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1080.410793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.410793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.410793 (E_RNA)
where:
Base-Base interactions energy: -707.215
where: short stacking energy: -320.902
Base-Backbone interact. energy: 1.235
local terms energy: -374.429991
where:
bonds (distance) C4'-P energy: -82.919
bonds (distance) P-C4' energy: -89.275
flat angles C4'-P-C4' energy: -82.783
flat angles P-C4'-P energy: -48.831
tors. eta vs tors. theta energy: -70.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -724.488897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.488897 (E_RNA)
where:
Base-Base interactions energy: -400.788
where: short stacking energy: -199.532
Base-Backbone interact. energy: 0.897
local terms energy: -324.597506
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -84.137
flat angles C4'-P-C4' energy: -78.399
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -35.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1815.492256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.492256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.492256 (E_RNA)
where:
Base-Base interactions energy: -1276.356
where: short stacking energy: -531.101
Base-Backbone interact. energy: -3.468
local terms energy: -535.667706
where:
bonds (distance) C4'-P energy: -96.004
bonds (distance) P-C4' energy: -97.054
flat angles C4'-P-C4' energy: -103.732
flat angles P-C4'-P energy: -80.811
tors. eta vs tors. theta energy: -158.066
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: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1771.287577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.287577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.287577 (E_RNA)
where:
Base-Base interactions energy: -1246.246
where: short stacking energy: -523.700
Base-Backbone interact. energy: -1.436
local terms energy: -523.606243
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -104.232
flat angles C4'-P-C4' energy: -110.705
flat angles P-C4'-P energy: -76.451
tors. eta vs tors. theta energy: -149.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1711.807703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.807703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.807703 (E_RNA)
where:
Base-Base interactions energy: -1209.688
where: short stacking energy: -499.499
Base-Backbone interact. energy: -0.254
local terms energy: -501.865930
where:
bonds (distance) C4'-P energy: -90.661
bonds (distance) P-C4' energy: -84.914
flat angles C4'-P-C4' energy: -111.783
flat angles P-C4'-P energy: -79.864
tors. eta vs tors. theta energy: -134.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1639.049376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.049376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.049376 (E_RNA)
where:
Base-Base interactions energy: -1149.282
where: short stacking energy: -448.767
Base-Backbone interact. energy: -1.077
local terms energy: -488.689997
where:
bonds (distance) C4'-P energy: -78.824
bonds (distance) P-C4' energy: -89.801
flat angles C4'-P-C4' energy: -111.605
flat angles P-C4'-P energy: -82.657
tors. eta vs tors. theta energy: -125.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1574.375981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.375981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.375981 (E_RNA)
where:
Base-Base interactions energy: -1098.393
where: short stacking energy: -450.259
Base-Backbone interact. energy: -0.839
local terms energy: -475.144257
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -97.037
flat angles P-C4'-P energy: -63.706
tors. eta vs tors. theta energy: -134.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1510.538768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.538768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.538768 (E_RNA)
where:
Base-Base interactions energy: -1062.832
where: short stacking energy: -451.333
Base-Backbone interact. energy: -2.090
local terms energy: -445.616650
where:
bonds (distance) C4'-P energy: -79.798
bonds (distance) P-C4' energy: -83.194
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -65.577
tors. eta vs tors. theta energy: -117.506
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: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1467.548966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.548966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.548966 (E_RNA)
where:
Base-Base interactions energy: -1026.094
where: short stacking energy: -447.293
Base-Backbone interact. energy: 3.420
local terms energy: -444.875198
where:
bonds (distance) C4'-P energy: -82.475
bonds (distance) P-C4' energy: -80.997
flat angles C4'-P-C4' energy: -101.039
flat angles P-C4'-P energy: -57.427
tors. eta vs tors. theta energy: -122.937
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1264.873122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.873122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.873122 (E_RNA)
where:
Base-Base interactions energy: -852.567
where: short stacking energy: -379.331
Base-Backbone interact. energy: -0.686
local terms energy: -411.619622
where:
bonds (distance) C4'-P energy: -80.621
bonds (distance) P-C4' energy: -85.761
flat angles C4'-P-C4' energy: -80.170
flat angles P-C4'-P energy: -68.817
tors. eta vs tors. theta energy: -96.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1060.921351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.921351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.921351 (E_RNA)
where:
Base-Base interactions energy: -706.026
where: short stacking energy: -316.441
Base-Backbone interact. energy: -1.344
local terms energy: -353.550809
where:
bonds (distance) C4'-P energy: -73.422
bonds (distance) P-C4' energy: -85.589
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -51.730
tors. eta vs tors. theta energy: -73.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -726.654462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.654462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.654462 (E_RNA)
where:
Base-Base interactions energy: -431.514
where: short stacking energy: -201.351
Base-Backbone interact. energy: -2.958
local terms energy: -292.182303
where:
bonds (distance) C4'-P energy: -80.943
bonds (distance) P-C4' energy: -77.092
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1833.405435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.405435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.405435 (E_RNA)
where:
Base-Base interactions energy: -1278.739
where: short stacking energy: -555.502
Base-Backbone interact. energy: -1.069
local terms energy: -553.597756
where:
bonds (distance) C4'-P energy: -102.025
bonds (distance) P-C4' energy: -95.537
flat angles C4'-P-C4' energy: -119.884
flat angles P-C4'-P energy: -72.849
tors. eta vs tors. theta energy: -163.303
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: 87
Temperature: 0.950000
Total energy: -1793.255033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.255033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.255033 (E_RNA)
where:
Base-Base interactions energy: -1264.397
where: short stacking energy: -522.046
Base-Backbone interact. energy: 2.588
local terms energy: -531.446544
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -104.746
flat angles C4'-P-C4' energy: -104.386
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -144.795
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1717.396562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.396562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.396562 (E_RNA)
where:
Base-Base interactions energy: -1199.414
where: short stacking energy: -494.312
Base-Backbone interact. energy: -2.537
local terms energy: -515.445119
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -101.887
flat angles C4'-P-C4' energy: -105.160
flat angles P-C4'-P energy: -68.212
tors. eta vs tors. theta energy: -138.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1637.461142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.461142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.461142 (E_RNA)
where:
Base-Base interactions energy: -1138.907
where: short stacking energy: -480.183
Base-Backbone interact. energy: 1.292
local terms energy: -499.845604
where:
bonds (distance) C4'-P energy: -98.200
bonds (distance) P-C4' energy: -86.262
flat angles C4'-P-C4' energy: -105.718
flat angles P-C4'-P energy: -68.978
tors. eta vs tors. theta energy: -140.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1569.739453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.739453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.739453 (E_RNA)
where:
Base-Base interactions energy: -1077.421
where: short stacking energy: -473.293
Base-Backbone interact. energy: -0.954
local terms energy: -491.364724
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -96.397
flat angles C4'-P-C4' energy: -98.499
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -138.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1512.449692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.449692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.449692 (E_RNA)
where:
Base-Base interactions energy: -1062.243
where: short stacking energy: -450.208
Base-Backbone interact. energy: 3.151
local terms energy: -453.358131
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -93.890
flat angles P-C4'-P energy: -64.045
tors. eta vs tors. theta energy: -122.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1437.036558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.036558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.036558 (E_RNA)
where:
Base-Base interactions energy: -1014.273
where: short stacking energy: -420.812
Base-Backbone interact. energy: -1.625
local terms energy: -421.138939
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -87.325
flat angles C4'-P-C4' energy: -95.181
flat angles P-C4'-P energy: -51.580
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: 87
Temperature: 1.250000
Total energy: -1216.679483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.679483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.679483 (E_RNA)
where:
Base-Base interactions energy: -843.625
where: short stacking energy: -335.860
Base-Backbone interact. energy: -0.214
local terms energy: -372.840203
where:
bonds (distance) C4'-P energy: -81.777
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -87.624
flat angles P-C4'-P energy: -61.328
tors. eta vs tors. theta energy: -77.276
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: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1028.656893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.656893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.656893 (E_RNA)
where:
Base-Base interactions energy: -652.517
where: short stacking energy: -300.297
Base-Backbone interact. energy: -0.112
local terms energy: -376.028006
where:
bonds (distance) C4'-P energy: -74.074
bonds (distance) P-C4' energy: -89.937
flat angles C4'-P-C4' energy: -96.430
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -61.558
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -768.927949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.927949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.927949 (E_RNA)
where:
Base-Base interactions energy: -447.102
where: short stacking energy: -222.788
Base-Backbone interact. energy: 1.970
local terms energy: -323.796587
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -75.923
flat angles C4'-P-C4' energy: -91.373
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1818.117773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.117773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.117773 (E_RNA)
where:
Base-Base interactions energy: -1263.123
where: short stacking energy: -547.615
Base-Backbone interact. energy: -3.345
local terms energy: -551.649936
where:
bonds (distance) C4'-P energy: -91.221
bonds (distance) P-C4' energy: -102.734
flat angles C4'-P-C4' energy: -114.189
flat angles P-C4'-P energy: -85.755
tors. eta vs tors. theta energy: -157.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1788.707480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.707480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.707480 (E_RNA)
where:
Base-Base interactions energy: -1267.516
where: short stacking energy: -530.366
Base-Backbone interact. energy: 0.262
local terms energy: -521.453096
where:
bonds (distance) C4'-P energy: -90.289
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -110.729
flat angles P-C4'-P energy: -76.570
tors. eta vs tors. theta energy: -151.434
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1682.760752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.760752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.760752 (E_RNA)
where:
Base-Base interactions energy: -1213.139
where: short stacking energy: -498.536
Base-Backbone interact. energy: 0.017
local terms energy: -469.639089
where:
bonds (distance) C4'-P energy: -79.092
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -93.924
flat angles P-C4'-P energy: -68.836
tors. eta vs tors. theta energy: -132.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1649.863480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.863480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.863480 (E_RNA)
where:
Base-Base interactions energy: -1159.999
where: short stacking energy: -464.952
Base-Backbone interact. energy: -1.277
local terms energy: -488.587418
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -99.417
flat angles C4'-P-C4' energy: -99.664
flat angles P-C4'-P energy: -74.976
tors. eta vs tors. theta energy: -131.265
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1541.722099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.722099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.722099 (E_RNA)
where:
Base-Base interactions energy: -1064.821
where: short stacking energy: -447.325
Base-Backbone interact. energy: 0.886
local terms energy: -477.786448
where:
bonds (distance) C4'-P energy: -80.706
bonds (distance) P-C4' energy: -89.780
flat angles C4'-P-C4' energy: -99.437
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -124.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1455.852006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.852006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.852006 (E_RNA)
where:
Base-Base interactions energy: -1008.936
where: short stacking energy: -426.544
Base-Backbone interact. energy: 0.154
local terms energy: -447.069902
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -93.701
flat angles C4'-P-C4' energy: -89.751
flat angles P-C4'-P energy: -69.292
tors. eta vs tors. theta energy: -111.680
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: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1407.857612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.857612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.857612 (E_RNA)
where:
Base-Base interactions energy: -997.869
where: short stacking energy: -416.598
Base-Backbone interact. energy: -2.407
local terms energy: -407.580797
where:
bonds (distance) C4'-P energy: -60.827
bonds (distance) P-C4' energy: -91.599
flat angles C4'-P-C4' energy: -92.586
flat angles P-C4'-P energy: -60.841
tors. eta vs tors. theta energy: -101.729
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1179.738357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.738357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.738357 (E_RNA)
where:
Base-Base interactions energy: -785.244
where: short stacking energy: -328.966
Base-Backbone interact. energy: -0.262
local terms energy: -394.232373
where:
bonds (distance) C4'-P energy: -80.631
bonds (distance) P-C4' energy: -95.718
flat angles C4'-P-C4' energy: -88.653
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -74.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1060.670413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.670413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.670413 (E_RNA)
where:
Base-Base interactions energy: -708.384
where: short stacking energy: -284.795
Base-Backbone interact. energy: -0.787
local terms energy: -351.498919
where:
bonds (distance) C4'-P energy: -74.131
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -84.133
flat angles P-C4'-P energy: -62.517
tors. eta vs tors. theta energy: -50.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -824.068061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.068061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.068061 (E_RNA)
where:
Base-Base interactions energy: -517.632
where: short stacking energy: -252.268
Base-Backbone interact. energy: 4.154
local terms energy: -310.589731
where:
bonds (distance) C4'-P energy: -77.577
bonds (distance) P-C4' energy: -75.403
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1796.161645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.161645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.161645 (E_RNA)
where:
Base-Base interactions energy: -1264.030
where: short stacking energy: -548.813
Base-Backbone interact. energy: -1.504
local terms energy: -530.627349
where:
bonds (distance) C4'-P energy: -86.649
bonds (distance) P-C4' energy: -92.540
flat angles C4'-P-C4' energy: -116.646
flat angles P-C4'-P energy: -76.814
tors. eta vs tors. theta energy: -157.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1792.323404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.323404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.323404 (E_RNA)
where:
Base-Base interactions energy: -1252.474
where: short stacking energy: -508.089
Base-Backbone interact. energy: -0.563
local terms energy: -539.286702
where:
bonds (distance) C4'-P energy: -97.095
bonds (distance) P-C4' energy: -101.648
flat angles C4'-P-C4' energy: -113.013
flat angles P-C4'-P energy: -71.536
tors. eta vs tors. theta energy: -155.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1693.854796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.854796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.854796 (E_RNA)
where:
Base-Base interactions energy: -1188.477
where: short stacking energy: -492.917
Base-Backbone interact. energy: -2.216
local terms energy: -503.161956
where:
bonds (distance) C4'-P energy: -101.149
bonds (distance) P-C4' energy: -78.784
flat angles C4'-P-C4' energy: -113.751
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -145.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1635.895636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.895636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.895636 (E_RNA)
where:
Base-Base interactions energy: -1153.387
where: short stacking energy: -469.043
Base-Backbone interact. energy: -0.109
local terms energy: -482.399435
where:
bonds (distance) C4'-P energy: -93.586
bonds (distance) P-C4' energy: -87.057
flat angles C4'-P-C4' energy: -104.496
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -131.899
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1559.560741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.560741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.560741 (E_RNA)
where:
Base-Base interactions energy: -1101.134
where: short stacking energy: -484.130
Base-Backbone interact. energy: -2.545
local terms energy: -455.881288
where:
bonds (distance) C4'-P energy: -81.284
bonds (distance) P-C4' energy: -97.274
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -61.174
tors. eta vs tors. theta energy: -122.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1497.487115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.487115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.487115 (E_RNA)
where:
Base-Base interactions energy: -1063.852
where: short stacking energy: -417.796
Base-Backbone interact. energy: 2.464
local terms energy: -436.099727
where:
bonds (distance) C4'-P energy: -75.096
bonds (distance) P-C4' energy: -87.643
flat angles C4'-P-C4' energy: -100.878
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -122.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1426.300047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.300047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.300047 (E_RNA)
where:
Base-Base interactions energy: -964.517
where: short stacking energy: -416.761
Base-Backbone interact. energy: -1.421
local terms energy: -460.361619
where:
bonds (distance) C4'-P energy: -85.880
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -102.317
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -117.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1164.041653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.041653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.041653 (E_RNA)
where:
Base-Base interactions energy: -791.687
where: short stacking energy: -341.374
Base-Backbone interact. energy: -0.320
local terms energy: -372.035003
where:
bonds (distance) C4'-P energy: -85.259
bonds (distance) P-C4' energy: -73.008
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -65.637
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: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1060.015612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.015612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.015612 (E_RNA)
where:
Base-Base interactions energy: -718.539
where: short stacking energy: -288.183
Base-Backbone interact. energy: 1.253
local terms energy: -342.730097
where:
bonds (distance) C4'-P energy: -65.156
bonds (distance) P-C4' energy: -93.626
flat angles C4'-P-C4' energy: -83.609
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -51.691
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: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -796.425337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.425337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.425337 (E_RNA)
where:
Base-Base interactions energy: -494.981
where: short stacking energy: -214.934
Base-Backbone interact. energy: 2.244
local terms energy: -303.687822
where:
bonds (distance) C4'-P energy: -64.811
bonds (distance) P-C4' energy: -82.507
flat angles C4'-P-C4' energy: -83.772
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -32.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1831.026255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.026255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.026255 (E_RNA)
where:
Base-Base interactions energy: -1295.746
where: short stacking energy: -529.702
Base-Backbone interact. energy: -2.582
local terms energy: -532.698198
where:
bonds (distance) C4'-P energy: -88.156
bonds (distance) P-C4' energy: -102.757
flat angles C4'-P-C4' energy: -112.636
flat angles P-C4'-P energy: -72.129
tors. eta vs tors. theta energy: -157.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1803.104799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.104799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.104799 (E_RNA)
where:
Base-Base interactions energy: -1266.562
where: short stacking energy: -531.585
Base-Backbone interact. energy: -2.275
local terms energy: -534.267197
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -113.252
flat angles P-C4'-P energy: -72.012
tors. eta vs tors. theta energy: -151.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1731.032977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.032977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.032977 (E_RNA)
where:
Base-Base interactions energy: -1224.586
where: short stacking energy: -501.116
Base-Backbone interact. energy: 0.096
local terms energy: -506.543208
where:
bonds (distance) C4'-P energy: -79.319
bonds (distance) P-C4' energy: -89.790
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -140.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1634.800666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.800666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.800666 (E_RNA)
where:
Base-Base interactions energy: -1146.652
where: short stacking energy: -469.279
Base-Backbone interact. energy: -2.880
local terms energy: -485.268798
where:
bonds (distance) C4'-P energy: -84.494
bonds (distance) P-C4' energy: -89.585
flat angles C4'-P-C4' energy: -102.707
flat angles P-C4'-P energy: -71.763
tors. eta vs tors. theta energy: -136.720
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1543.891704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.891704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.891704 (E_RNA)
where:
Base-Base interactions energy: -1072.467
where: short stacking energy: -466.859
Base-Backbone interact. energy: -0.792
local terms energy: -470.633592
where:
bonds (distance) C4'-P energy: -82.427
bonds (distance) P-C4' energy: -96.780
flat angles C4'-P-C4' energy: -97.592
flat angles P-C4'-P energy: -69.622
tors. eta vs tors. theta energy: -124.212
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1475.359693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.359693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.359693 (E_RNA)
where:
Base-Base interactions energy: -1043.818
where: short stacking energy: -423.847
Base-Backbone interact. energy: -1.274
local terms energy: -430.267349
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -83.516
flat angles C4'-P-C4' energy: -94.609
flat angles P-C4'-P energy: -63.975
tors. eta vs tors. theta energy: -116.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1410.964459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.964459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.964459 (E_RNA)
where:
Base-Base interactions energy: -976.230
where: short stacking energy: -403.770
Base-Backbone interact. energy: -0.516
local terms energy: -434.217831
where:
bonds (distance) C4'-P energy: -97.046
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -92.691
flat angles P-C4'-P energy: -73.674
tors. eta vs tors. theta energy: -108.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1133.506099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.506099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.506099 (E_RNA)
where:
Base-Base interactions energy: -758.879
where: short stacking energy: -296.622
Base-Backbone interact. energy: -1.309
local terms energy: -373.318124
where:
bonds (distance) C4'-P energy: -75.930
bonds (distance) P-C4' energy: -76.723
flat angles C4'-P-C4' energy: -88.791
flat angles P-C4'-P energy: -61.818
tors. eta vs tors. theta energy: -70.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1076.137799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.137799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.137799 (E_RNA)
where:
Base-Base interactions energy: -686.679
where: short stacking energy: -293.756
Base-Backbone interact. energy: -1.304
local terms energy: -388.155087
where:
bonds (distance) C4'-P energy: -80.886
bonds (distance) P-C4' energy: -87.895
flat angles C4'-P-C4' energy: -88.072
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -73.846
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: 90
Temperature: 1.350000
Total energy: -780.607887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.607887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.607887 (E_RNA)
where:
Base-Base interactions energy: -464.769
where: short stacking energy: -212.630
Base-Backbone interact. energy: 0.940
local terms energy: -316.778468
where:
bonds (distance) C4'-P energy: -65.707
bonds (distance) P-C4' energy: -100.059
flat angles C4'-P-C4' energy: -79.173
flat angles P-C4'-P energy: -44.493
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1843.446805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.446805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.446805 (E_RNA)
where:
Base-Base interactions energy: -1290.237
where: short stacking energy: -527.571
Base-Backbone interact. energy: -2.534
local terms energy: -550.675201
where:
bonds (distance) C4'-P energy: -98.985
bonds (distance) P-C4' energy: -99.660
flat angles C4'-P-C4' energy: -116.906
flat angles P-C4'-P energy: -75.338
tors. eta vs tors. theta energy: -159.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1787.927812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.927812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.927812 (E_RNA)
where:
Base-Base interactions energy: -1244.093
where: short stacking energy: -514.352
Base-Backbone interact. energy: -1.421
local terms energy: -542.413780
where:
bonds (distance) C4'-P energy: -96.118
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -111.930
flat angles P-C4'-P energy: -73.281
tors. eta vs tors. theta energy: -152.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1705.732900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.732900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.732900 (E_RNA)
where:
Base-Base interactions energy: -1215.919
where: short stacking energy: -498.086
Base-Backbone interact. energy: -2.530
local terms energy: -487.283947
where:
bonds (distance) C4'-P energy: -74.013
bonds (distance) P-C4' energy: -93.275
flat angles C4'-P-C4' energy: -99.481
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -148.341
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: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1620.352414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.352414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.352414 (E_RNA)
where:
Base-Base interactions energy: -1142.760
where: short stacking energy: -470.580
Base-Backbone interact. energy: -0.264
local terms energy: -477.328340
where:
bonds (distance) C4'-P energy: -86.776
bonds (distance) P-C4' energy: -98.876
flat angles C4'-P-C4' energy: -100.520
flat angles P-C4'-P energy: -61.701
tors. eta vs tors. theta energy: -129.456
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: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1618.952334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.952334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.952334 (E_RNA)
where:
Base-Base interactions energy: -1124.287
where: short stacking energy: -470.700
Base-Backbone interact. energy: -1.012
local terms energy: -493.653495
where:
bonds (distance) C4'-P energy: -100.336
bonds (distance) P-C4' energy: -89.512
flat angles C4'-P-C4' energy: -93.557
flat angles P-C4'-P energy: -70.254
tors. eta vs tors. theta energy: -139.995
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: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1463.807913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.807913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.807913 (E_RNA)
where:
Base-Base interactions energy: -1048.477
where: short stacking energy: -439.062
Base-Backbone interact. energy: -1.415
local terms energy: -413.914986
where:
bonds (distance) C4'-P energy: -72.774
bonds (distance) P-C4' energy: -85.717
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -54.408
tors. eta vs tors. theta energy: -107.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1394.630205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.630205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.630205 (E_RNA)
where:
Base-Base interactions energy: -946.367
where: short stacking energy: -376.288
Base-Backbone interact. energy: -2.221
local terms energy: -446.042107
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -92.275
flat angles C4'-P-C4' energy: -93.710
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -112.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1278.962474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.962474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.962474 (E_RNA)
where:
Base-Base interactions energy: -889.570
where: short stacking energy: -349.184
Base-Backbone interact. energy: 2.557
local terms energy: -391.949588
where:
bonds (distance) C4'-P energy: -65.173
bonds (distance) P-C4' energy: -87.946
flat angles C4'-P-C4' energy: -80.325
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -94.276
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: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1073.678817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.678817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.678817 (E_RNA)
where:
Base-Base interactions energy: -702.377
where: short stacking energy: -309.740
Base-Backbone interact. energy: -0.443
local terms energy: -370.858076
where:
bonds (distance) C4'-P energy: -78.421
bonds (distance) P-C4' energy: -83.932
flat angles C4'-P-C4' energy: -83.605
flat angles P-C4'-P energy: -58.954
tors. eta vs tors. theta energy: -65.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -767.452325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.452325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.452325 (E_RNA)
where:
Base-Base interactions energy: -466.840
where: short stacking energy: -202.378
Base-Backbone interact. energy: 0.859
local terms energy: -301.471432
where:
bonds (distance) C4'-P energy: -73.464
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -78.028
flat angles P-C4'-P energy: -37.737
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1849.488526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.488526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.488526 (E_RNA)
where:
Base-Base interactions energy: -1318.240
where: short stacking energy: -570.934
Base-Backbone interact. energy: -2.616
local terms energy: -528.632806
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -93.021
flat angles C4'-P-C4' energy: -117.818
flat angles P-C4'-P energy: -73.201
tors. eta vs tors. theta energy: -156.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1761.559547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.559547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.559547 (E_RNA)
where:
Base-Base interactions energy: -1243.635
where: short stacking energy: -549.084
Base-Backbone interact. energy: -0.670
local terms energy: -517.255308
where:
bonds (distance) C4'-P energy: -89.629
bonds (distance) P-C4' energy: -93.593
flat angles C4'-P-C4' energy: -108.099
flat angles P-C4'-P energy: -75.422
tors. eta vs tors. theta energy: -150.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1700.066463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.066463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.066463 (E_RNA)
where:
Base-Base interactions energy: -1208.129
where: short stacking energy: -518.194
Base-Backbone interact. energy: -3.562
local terms energy: -488.374903
where:
bonds (distance) C4'-P energy: -77.498
bonds (distance) P-C4' energy: -85.568
flat angles C4'-P-C4' energy: -111.237
flat angles P-C4'-P energy: -69.272
tors. eta vs tors. theta energy: -144.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1651.226613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.226613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.226613 (E_RNA)
where:
Base-Base interactions energy: -1168.323
where: short stacking energy: -486.831
Base-Backbone interact. energy: -1.682
local terms energy: -481.222185
where:
bonds (distance) C4'-P energy: -84.209
bonds (distance) P-C4' energy: -86.242
flat angles C4'-P-C4' energy: -102.361
flat angles P-C4'-P energy: -74.872
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1573.293584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.293584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.293584 (E_RNA)
where:
Base-Base interactions energy: -1083.273
where: short stacking energy: -457.733
Base-Backbone interact. energy: -0.106
local terms energy: -489.914587
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -100.031
flat angles C4'-P-C4' energy: -104.621
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -130.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1491.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.623369 (E_RNA)
where:
Base-Base interactions energy: -1047.384
where: short stacking energy: -447.331
Base-Backbone interact. energy: -1.726
local terms energy: -442.513181
where:
bonds (distance) C4'-P energy: -83.587
bonds (distance) P-C4' energy: -82.697
flat angles C4'-P-C4' energy: -95.193
flat angles P-C4'-P energy: -53.380
tors. eta vs tors. theta energy: -127.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1406.127804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.127804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.127804 (E_RNA)
where:
Base-Base interactions energy: -960.998
where: short stacking energy: -397.581
Base-Backbone interact. energy: 2.029
local terms energy: -447.158742
where:
bonds (distance) C4'-P energy: -102.437
bonds (distance) P-C4' energy: -80.486
flat angles C4'-P-C4' energy: -98.770
flat angles P-C4'-P energy: -57.209
tors. eta vs tors. theta energy: -108.256
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1274.580241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.580241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.580241 (E_RNA)
where:
Base-Base interactions energy: -889.487
where: short stacking energy: -380.515
Base-Backbone interact. energy: 2.576
local terms energy: -387.669322
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -86.574
flat angles C4'-P-C4' energy: -85.461
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -94.902
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: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1035.310384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.310384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.310384 (E_RNA)
where:
Base-Base interactions energy: -682.765
where: short stacking energy: -294.361
Base-Backbone interact. energy: -0.866
local terms energy: -351.679662
where:
bonds (distance) C4'-P energy: -90.147
bonds (distance) P-C4' energy: -77.055
flat angles C4'-P-C4' energy: -96.101
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -51.558
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: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -845.799304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.799304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.799304 (E_RNA)
where:
Base-Base interactions energy: -521.265
where: short stacking energy: -233.879
Base-Backbone interact. energy: 1.939
local terms energy: -326.473880
where:
bonds (distance) C4'-P energy: -73.805
bonds (distance) P-C4' energy: -82.498
flat angles C4'-P-C4' energy: -82.027
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: -37.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1829.594672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.594672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.594672 (E_RNA)
where:
Base-Base interactions energy: -1291.693
where: short stacking energy: -544.314
Base-Backbone interact. energy: -1.599
local terms energy: -536.302215
where:
bonds (distance) C4'-P energy: -100.048
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -79.559
tors. eta vs tors. theta energy: -153.963
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1774.869723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.869723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.869723 (E_RNA)
where:
Base-Base interactions energy: -1233.419
where: short stacking energy: -527.147
Base-Backbone interact. energy: -1.833
local terms energy: -539.618086
where:
bonds (distance) C4'-P energy: -95.357
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -116.276
flat angles P-C4'-P energy: -75.049
tors. eta vs tors. theta energy: -150.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1698.997904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.997904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.997904 (E_RNA)
where:
Base-Base interactions energy: -1201.207
where: short stacking energy: -509.579
Base-Backbone interact. energy: -0.816
local terms energy: -496.974522
where:
bonds (distance) C4'-P energy: -96.476
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -104.584
flat angles P-C4'-P energy: -71.929
tors. eta vs tors. theta energy: -142.414
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: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1659.823601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.823601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.823601 (E_RNA)
where:
Base-Base interactions energy: -1137.144
where: short stacking energy: -474.978
Base-Backbone interact. energy: -3.050
local terms energy: -519.629607
where:
bonds (distance) C4'-P energy: -96.541
bonds (distance) P-C4' energy: -96.181
flat angles C4'-P-C4' energy: -109.315
flat angles P-C4'-P energy: -71.536
tors. eta vs tors. theta energy: -146.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1573.915987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.915987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.915987 (E_RNA)
where:
Base-Base interactions energy: -1119.870
where: short stacking energy: -468.103
Base-Backbone interact. energy: -1.037
local terms energy: -453.009725
where:
bonds (distance) C4'-P energy: -72.838
bonds (distance) P-C4' energy: -85.905
flat angles C4'-P-C4' energy: -97.007
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -125.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1455.678642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.678642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.678642 (E_RNA)
where:
Base-Base interactions energy: -1009.904
where: short stacking energy: -412.180
Base-Backbone interact. energy: -1.292
local terms energy: -444.482519
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -89.953
flat angles C4'-P-C4' energy: -103.726
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -112.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1437.787390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.787390 (E_RNA)
where:
Base-Base interactions energy: -1020.911
where: short stacking energy: -439.218
Base-Backbone interact. energy: -1.566
local terms energy: -415.310308
where:
bonds (distance) C4'-P energy: -66.656
bonds (distance) P-C4' energy: -71.825
flat angles C4'-P-C4' energy: -97.478
flat angles P-C4'-P energy: -57.754
tors. eta vs tors. theta energy: -121.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1212.880079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.880079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.880079 (E_RNA)
where:
Base-Base interactions energy: -823.589
where: short stacking energy: -348.084
Base-Backbone interact. energy: -1.971
local terms energy: -387.320130
where:
bonds (distance) C4'-P energy: -70.567
bonds (distance) P-C4' energy: -64.522
flat angles C4'-P-C4' energy: -96.619
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -92.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1023.114378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.114378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.114378 (E_RNA)
where:
Base-Base interactions energy: -672.138
where: short stacking energy: -290.891
Base-Backbone interact. energy: -1.998
local terms energy: -348.978683
where:
bonds (distance) C4'-P energy: -70.086
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -78.810
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: -55.321
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: 93
Temperature: 1.350000
Total energy: -815.570477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.570477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.570477 (E_RNA)
where:
Base-Base interactions energy: -504.730
where: short stacking energy: -228.044
Base-Backbone interact. energy: -1.830
local terms energy: -309.010299
where:
bonds (distance) C4'-P energy: -79.675
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1813.452791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.452791 (E_RNA)
where:
Base-Base interactions energy: -1270.185
where: short stacking energy: -522.378
Base-Backbone interact. energy: 0.099
local terms energy: -543.366599
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -105.649
flat angles P-C4'-P energy: -85.866
tors. eta vs tors. theta energy: -150.981
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: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1744.448497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.448497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.448497 (E_RNA)
where:
Base-Base interactions energy: -1221.292
where: short stacking energy: -511.588
Base-Backbone interact. energy: -0.312
local terms energy: -522.843804
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -100.676
flat angles C4'-P-C4' energy: -115.914
flat angles P-C4'-P energy: -76.043
tors. eta vs tors. theta energy: -147.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1726.098998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.098998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.098998 (E_RNA)
where:
Base-Base interactions energy: -1214.404
where: short stacking energy: -522.306
Base-Backbone interact. energy: 3.010
local terms energy: -514.704609
where:
bonds (distance) C4'-P energy: -92.950
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -104.181
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -145.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1661.141928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.141928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.141928 (E_RNA)
where:
Base-Base interactions energy: -1168.278
where: short stacking energy: -471.279
Base-Backbone interact. energy: -3.629
local terms energy: -489.234544
where:
bonds (distance) C4'-P energy: -86.511
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -103.584
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -126.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1568.307681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.307681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.307681 (E_RNA)
where:
Base-Base interactions energy: -1117.893
where: short stacking energy: -479.609
Base-Backbone interact. energy: 1.515
local terms energy: -451.929684
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -77.117
flat angles C4'-P-C4' energy: -99.223
flat angles P-C4'-P energy: -68.565
tors. eta vs tors. theta energy: -133.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1468.776079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.776079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.776079 (E_RNA)
where:
Base-Base interactions energy: -1040.736
where: short stacking energy: -411.581
Base-Backbone interact. energy: 3.843
local terms energy: -431.883548
where:
bonds (distance) C4'-P energy: -67.552
bonds (distance) P-C4' energy: -93.498
flat angles C4'-P-C4' energy: -105.599
flat angles P-C4'-P energy: -60.242
tors. eta vs tors. theta energy: -104.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1430.733107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.733107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.733107 (E_RNA)
where:
Base-Base interactions energy: -999.706
where: short stacking energy: -431.775
Base-Backbone interact. energy: -0.461
local terms energy: -430.566147
where:
bonds (distance) C4'-P energy: -79.835
bonds (distance) P-C4' energy: -66.338
flat angles C4'-P-C4' energy: -100.651
flat angles P-C4'-P energy: -67.396
tors. eta vs tors. theta energy: -116.346
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: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1231.241443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.241443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.241443 (E_RNA)
where:
Base-Base interactions energy: -831.399
where: short stacking energy: -350.437
Base-Backbone interact. energy: 2.727
local terms energy: -402.568788
where:
bonds (distance) C4'-P energy: -70.149
bonds (distance) P-C4' energy: -88.467
flat angles C4'-P-C4' energy: -94.467
flat angles P-C4'-P energy: -64.599
tors. eta vs tors. theta energy: -84.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1062.188030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.188030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.188030 (E_RNA)
where:
Base-Base interactions energy: -713.680
where: short stacking energy: -316.990
Base-Backbone interact. energy: 2.888
local terms energy: -351.395701
where:
bonds (distance) C4'-P energy: -64.765
bonds (distance) P-C4' energy: -70.736
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -64.042
tors. eta vs tors. theta energy: -77.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -839.932861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.932861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.932861 (E_RNA)
where:
Base-Base interactions energy: -511.956
where: short stacking energy: -223.417
Base-Backbone interact. energy: -0.372
local terms energy: -327.605383
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -81.137
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -43.188
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: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1829.490692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.490692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.490692 (E_RNA)
where:
Base-Base interactions energy: -1296.932
where: short stacking energy: -542.514
Base-Backbone interact. energy: 0.711
local terms energy: -533.269852
where:
bonds (distance) C4'-P energy: -96.696
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -116.902
flat angles P-C4'-P energy: -73.437
tors. eta vs tors. theta energy: -149.908
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: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1790.936719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.936719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.936719 (E_RNA)
where:
Base-Base interactions energy: -1248.902
where: short stacking energy: -538.325
Base-Backbone interact. energy: -3.311
local terms energy: -538.724181
where:
bonds (distance) C4'-P energy: -89.661
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -116.155
flat angles P-C4'-P energy: -80.134
tors. eta vs tors. theta energy: -155.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1712.534688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.534688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.534688 (E_RNA)
where:
Base-Base interactions energy: -1210.988
where: short stacking energy: -501.343
Base-Backbone interact. energy: -0.034
local terms energy: -501.512589
where:
bonds (distance) C4'-P energy: -90.524
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -107.463
flat angles P-C4'-P energy: -64.801
tors. eta vs tors. theta energy: -150.652
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1659.431992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.431992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.431992 (E_RNA)
where:
Base-Base interactions energy: -1161.930
where: short stacking energy: -463.317
Base-Backbone interact. energy: 2.102
local terms energy: -499.603963
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -93.961
flat angles C4'-P-C4' energy: -102.577
flat angles P-C4'-P energy: -69.216
tors. eta vs tors. theta energy: -134.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1560.012676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.012676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.012676 (E_RNA)
where:
Base-Base interactions energy: -1079.413
where: short stacking energy: -455.624
Base-Backbone interact. energy: -1.857
local terms energy: -478.742416
where:
bonds (distance) C4'-P energy: -97.363
bonds (distance) P-C4' energy: -97.844
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: -120.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1469.482861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.482861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.482861 (E_RNA)
where:
Base-Base interactions energy: -1030.989
where: short stacking energy: -416.879
Base-Backbone interact. energy: 0.049
local terms energy: -438.543356
where:
bonds (distance) C4'-P energy: -88.344
bonds (distance) P-C4' energy: -74.953
flat angles C4'-P-C4' energy: -97.188
flat angles P-C4'-P energy: -68.211
tors. eta vs tors. theta energy: -109.848
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: 95
Temperature: 1.200000
Total energy: -1424.391317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.391317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.391317 (E_RNA)
where:
Base-Base interactions energy: -983.309
where: short stacking energy: -407.079
Base-Backbone interact. energy: 0.826
local terms energy: -441.907558
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -85.406
flat angles C4'-P-C4' energy: -103.765
flat angles P-C4'-P energy: -73.601
tors. eta vs tors. theta energy: -102.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1213.467599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.467599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.467599 (E_RNA)
where:
Base-Base interactions energy: -824.184
where: short stacking energy: -348.723
Base-Backbone interact. energy: -1.549
local terms energy: -387.733911
where:
bonds (distance) C4'-P energy: -88.535
bonds (distance) P-C4' energy: -80.284
flat angles C4'-P-C4' energy: -90.201
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -86.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1032.779294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.779294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.779294 (E_RNA)
where:
Base-Base interactions energy: -669.747
where: short stacking energy: -271.934
Base-Backbone interact. energy: 1.029
local terms energy: -364.060912
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -89.959
flat angles C4'-P-C4' energy: -90.808
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: -43.122
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: 95
Temperature: 1.350000
Total energy: -816.406215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.406215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.406215 (E_RNA)
where:
Base-Base interactions energy: -504.503
where: short stacking energy: -243.960
Base-Backbone interact. energy: 0.714
local terms energy: -312.616911
where:
bonds (distance) C4'-P energy: -74.640
bonds (distance) P-C4' energy: -81.153
flat angles C4'-P-C4' energy: -67.518
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -37.857
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: 96
Temperature: 0.900000
Total energy: -1836.350454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.350454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.350454 (E_RNA)
where:
Base-Base interactions energy: -1290.172
where: short stacking energy: -535.967
Base-Backbone interact. energy: -1.238
local terms energy: -544.940577
where:
bonds (distance) C4'-P energy: -99.749
bonds (distance) P-C4' energy: -89.716
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -81.709
tors. eta vs tors. theta energy: -157.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1784.780574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.780574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.780574 (E_RNA)
where:
Base-Base interactions energy: -1253.784
where: short stacking energy: -532.893
Base-Backbone interact. energy: -1.308
local terms energy: -529.688793
where:
bonds (distance) C4'-P energy: -77.362
bonds (distance) P-C4' energy: -110.914
flat angles C4'-P-C4' energy: -110.039
flat angles P-C4'-P energy: -79.481
tors. eta vs tors. theta energy: -151.893
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: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1686.368255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.368255 (E_RNA)
where:
Base-Base interactions energy: -1175.737
where: short stacking energy: -496.822
Base-Backbone interact. energy: -1.331
local terms energy: -509.299732
where:
bonds (distance) C4'-P energy: -91.465
bonds (distance) P-C4' energy: -97.227
flat angles C4'-P-C4' energy: -107.614
flat angles P-C4'-P energy: -75.349
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: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1702.580174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.580174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.580174 (E_RNA)
where:
Base-Base interactions energy: -1212.829
where: short stacking energy: -495.148
Base-Backbone interact. energy: 2.405
local terms energy: -492.156278
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -98.272
flat angles P-C4'-P energy: -74.513
tors. eta vs tors. theta energy: -135.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1549.652180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.652180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.652180 (E_RNA)
where:
Base-Base interactions energy: -1058.325
where: short stacking energy: -459.147
Base-Backbone interact. energy: -0.530
local terms energy: -490.797809
where:
bonds (distance) C4'-P energy: -96.719
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -104.314
flat angles P-C4'-P energy: -74.109
tors. eta vs tors. theta energy: -134.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1476.866566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.866566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.866566 (E_RNA)
where:
Base-Base interactions energy: -1050.383
where: short stacking energy: -436.035
Base-Backbone interact. energy: -0.101
local terms energy: -426.382585
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -71.955
flat angles C4'-P-C4' energy: -83.806
flat angles P-C4'-P energy: -64.237
tors. eta vs tors. theta energy: -119.218
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1409.696880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.696880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.696880 (E_RNA)
where:
Base-Base interactions energy: -975.754
where: short stacking energy: -429.556
Base-Backbone interact. energy: -1.649
local terms energy: -432.292979
where:
bonds (distance) C4'-P energy: -56.568
bonds (distance) P-C4' energy: -89.004
flat angles C4'-P-C4' energy: -105.393
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -121.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1136.401438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.401438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.401438 (E_RNA)
where:
Base-Base interactions energy: -751.430
where: short stacking energy: -303.745
Base-Backbone interact. energy: -2.329
local terms energy: -382.642375
where:
bonds (distance) C4'-P energy: -88.432
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -81.886
flat angles P-C4'-P energy: -62.888
tors. eta vs tors. theta energy: -67.978
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: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1107.089701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.089701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.089701 (E_RNA)
where:
Base-Base interactions energy: -729.077
where: short stacking energy: -307.458
Base-Backbone interact. energy: 0.278
local terms energy: -378.290807
where:
bonds (distance) C4'-P energy: -83.833
bonds (distance) P-C4' energy: -79.407
flat angles C4'-P-C4' energy: -80.283
flat angles P-C4'-P energy: -60.258
tors. eta vs tors. theta energy: -74.510
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: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -816.374052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.374052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.374052 (E_RNA)
where:
Base-Base interactions energy: -484.898
where: short stacking energy: -210.878
Base-Backbone interact. energy: -0.030
local terms energy: -331.445915
where:
bonds (distance) C4'-P energy: -75.724
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -27.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1847.198503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.198503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.198503 (E_RNA)
where:
Base-Base interactions energy: -1293.315
where: short stacking energy: -542.260
Base-Backbone interact. energy: -0.068
local terms energy: -553.814858
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -116.750
flat angles P-C4'-P energy: -74.865
tors. eta vs tors. theta energy: -155.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1795.652223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.652223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.652223 (E_RNA)
where:
Base-Base interactions energy: -1244.459
where: short stacking energy: -541.822
Base-Backbone interact. energy: 0.996
local terms energy: -552.188996
where:
bonds (distance) C4'-P energy: -101.062
bonds (distance) P-C4' energy: -111.592
flat angles C4'-P-C4' energy: -110.992
flat angles P-C4'-P energy: -71.400
tors. eta vs tors. theta energy: -157.143
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1714.406089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.406089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.406089 (E_RNA)
where:
Base-Base interactions energy: -1197.110
where: short stacking energy: -514.094
Base-Backbone interact. energy: -0.824
local terms energy: -516.472208
where:
bonds (distance) C4'-P energy: -92.797
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -108.901
flat angles P-C4'-P energy: -74.812
tors. eta vs tors. theta energy: -142.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1661.535397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.535397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.535397 (E_RNA)
where:
Base-Base interactions energy: -1162.549
where: short stacking energy: -477.605
Base-Backbone interact. energy: -4.167
local terms energy: -494.819201
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -88.877
flat angles C4'-P-C4' energy: -112.540
flat angles P-C4'-P energy: -72.815
tors. eta vs tors. theta energy: -132.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1531.046543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.046543 (E_RNA)
where:
Base-Base interactions energy: -1056.598
where: short stacking energy: -466.715
Base-Backbone interact. energy: 0.686
local terms energy: -475.133842
where:
bonds (distance) C4'-P energy: -85.513
bonds (distance) P-C4' energy: -86.127
flat angles C4'-P-C4' energy: -102.450
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -132.613
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: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1502.543041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.543041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.543041 (E_RNA)
where:
Base-Base interactions energy: -1048.273
where: short stacking energy: -441.897
Base-Backbone interact. energy: 2.907
local terms energy: -457.177051
where:
bonds (distance) C4'-P energy: -80.666
bonds (distance) P-C4' energy: -82.126
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -130.158
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: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1525.173164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.173164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.173164 (E_RNA)
where:
Base-Base interactions energy: -1070.189
where: short stacking energy: -437.709
Base-Backbone interact. energy: 0.520
local terms energy: -455.504126
where:
bonds (distance) C4'-P energy: -79.868
bonds (distance) P-C4' energy: -81.974
flat angles C4'-P-C4' energy: -94.538
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -135.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1208.943407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.943407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.943407 (E_RNA)
where:
Base-Base interactions energy: -827.810
where: short stacking energy: -365.213
Base-Backbone interact. energy: 0.137
local terms energy: -381.270375
where:
bonds (distance) C4'-P energy: -61.254
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -93.815
flat angles P-C4'-P energy: -64.558
tors. eta vs tors. theta energy: -96.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1078.038504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.038504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.038504 (E_RNA)
where:
Base-Base interactions energy: -727.416
where: short stacking energy: -296.484
Base-Backbone interact. energy: 2.570
local terms energy: -353.192616
where:
bonds (distance) C4'-P energy: -72.946
bonds (distance) P-C4' energy: -92.988
flat angles C4'-P-C4' energy: -77.112
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -60.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -836.871484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.871484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.871484 (E_RNA)
where:
Base-Base interactions energy: -543.835
where: short stacking energy: -238.370
Base-Backbone interact. energy: -1.664
local terms energy: -291.372588
where:
bonds (distance) C4'-P energy: -79.318
bonds (distance) P-C4' energy: -79.072
flat angles C4'-P-C4' energy: -57.848
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -32.054
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1831.909496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.909496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.909496 (E_RNA)
where:
Base-Base interactions energy: -1293.253
where: short stacking energy: -532.719
Base-Backbone interact. energy: -0.903
local terms energy: -537.752800
where:
bonds (distance) C4'-P energy: -97.826
bonds (distance) P-C4' energy: -100.191
flat angles C4'-P-C4' energy: -107.073
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -154.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1800.846413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.846413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.846413 (E_RNA)
where:
Base-Base interactions energy: -1263.109
where: short stacking energy: -527.938
Base-Backbone interact. energy: -3.656
local terms energy: -534.080803
where:
bonds (distance) C4'-P energy: -96.245
bonds (distance) P-C4' energy: -91.090
flat angles C4'-P-C4' energy: -106.935
flat angles P-C4'-P energy: -83.388
tors. eta vs tors. theta energy: -156.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1708.949509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.949509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.949509 (E_RNA)
where:
Base-Base interactions energy: -1188.619
where: short stacking energy: -492.255
Base-Backbone interact. energy: -1.271
local terms energy: -519.059622
where:
bonds (distance) C4'-P energy: -90.322
bonds (distance) P-C4' energy: -92.546
flat angles C4'-P-C4' energy: -111.357
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -143.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1653.676667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.676667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.676667 (E_RNA)
where:
Base-Base interactions energy: -1164.299
where: short stacking energy: -478.338
Base-Backbone interact. energy: 1.461
local terms energy: -490.838331
where:
bonds (distance) C4'-P energy: -88.972
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -104.962
flat angles P-C4'-P energy: -68.195
tors. eta vs tors. theta energy: -139.520
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: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1524.486957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.486957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.486957 (E_RNA)
where:
Base-Base interactions energy: -1057.543
where: short stacking energy: -444.438
Base-Backbone interact. energy: 0.628
local terms energy: -467.571322
where:
bonds (distance) C4'-P energy: -65.225
bonds (distance) P-C4' energy: -94.638
flat angles C4'-P-C4' energy: -105.447
flat angles P-C4'-P energy: -70.291
tors. eta vs tors. theta energy: -131.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1499.325758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.325758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.325758 (E_RNA)
where:
Base-Base interactions energy: -1049.994
where: short stacking energy: -454.170
Base-Backbone interact. energy: 0.849
local terms energy: -450.179790
where:
bonds (distance) C4'-P energy: -80.776
bonds (distance) P-C4' energy: -81.360
flat angles C4'-P-C4' energy: -95.804
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -123.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1516.708695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.708695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.708695 (E_RNA)
where:
Base-Base interactions energy: -1081.521
where: short stacking energy: -453.693
Base-Backbone interact. energy: -0.281
local terms energy: -434.906306
where:
bonds (distance) C4'-P energy: -76.207
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -56.666
tors. eta vs tors. theta energy: -129.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1286.126852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.126852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.126852 (E_RNA)
where:
Base-Base interactions energy: -894.822
where: short stacking energy: -389.381
Base-Backbone interact. energy: 0.901
local terms energy: -392.206309
where:
bonds (distance) C4'-P energy: -81.939
bonds (distance) P-C4' energy: -68.563
flat angles C4'-P-C4' energy: -93.372
flat angles P-C4'-P energy: -60.513
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: 98
Temperature: 1.300000
Total energy: -1049.061700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.061700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.061700 (E_RNA)
where:
Base-Base interactions energy: -710.724
where: short stacking energy: -293.586
Base-Backbone interact. energy: -1.122
local terms energy: -337.215214
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -72.746
flat angles C4'-P-C4' energy: -83.159
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -53.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -881.676189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.676189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.676189 (E_RNA)
where:
Base-Base interactions energy: -552.043
where: short stacking energy: -249.059
Base-Backbone interact. energy: 0.218
local terms energy: -329.851773
where:
bonds (distance) C4'-P energy: -77.791
bonds (distance) P-C4' energy: -70.342
flat angles C4'-P-C4' energy: -83.948
flat angles P-C4'-P energy: -55.942
tors. eta vs tors. theta energy: -41.828
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: 99
Temperature: 0.900000
Total energy: -1845.158073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.158073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.158073 (E_RNA)
where:
Base-Base interactions energy: -1292.128
where: short stacking energy: -534.529
Base-Backbone interact. energy: -3.180
local terms energy: -549.849970
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -102.859
flat angles C4'-P-C4' energy: -117.044
flat angles P-C4'-P energy: -76.242
tors. eta vs tors. theta energy: -164.043
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1782.074377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.074377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.074377 (E_RNA)
where:
Base-Base interactions energy: -1241.075
where: short stacking energy: -510.500
Base-Backbone interact. energy: -2.842
local terms energy: -538.157703
where:
bonds (distance) C4'-P energy: -99.490
bonds (distance) P-C4' energy: -93.336
flat angles C4'-P-C4' energy: -108.657
flat angles P-C4'-P energy: -85.823
tors. eta vs tors. theta energy: -150.852
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1734.392740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.392740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.392740 (E_RNA)
where:
Base-Base interactions energy: -1216.731
where: short stacking energy: -504.945
Base-Backbone interact. energy: -0.778
local terms energy: -516.883718
where:
bonds (distance) C4'-P energy: -89.088
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -106.359
flat angles P-C4'-P energy: -75.792
tors. eta vs tors. theta energy: -147.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1650.638817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.638817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.638817 (E_RNA)
where:
Base-Base interactions energy: -1166.074
where: short stacking energy: -485.554
Base-Backbone interact. energy: -2.990
local terms energy: -481.575148
where:
bonds (distance) C4'-P energy: -97.981
bonds (distance) P-C4' energy: -77.027
flat angles C4'-P-C4' energy: -101.333
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -133.419
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: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1488.615737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.615737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.615737 (E_RNA)
where:
Base-Base interactions energy: -1015.693
where: short stacking energy: -431.876
Base-Backbone interact. energy: -0.902
local terms energy: -472.020564
where:
bonds (distance) C4'-P energy: -89.447
bonds (distance) P-C4' energy: -87.725
flat angles C4'-P-C4' energy: -102.489
flat angles P-C4'-P energy: -65.756
tors. eta vs tors. theta energy: -126.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1507.993358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.993358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.993358 (E_RNA)
where:
Base-Base interactions energy: -1065.629
where: short stacking energy: -439.877
Base-Backbone interact. energy: 0.965
local terms energy: -443.329179
where:
bonds (distance) C4'-P energy: -87.953
bonds (distance) P-C4' energy: -89.409
flat angles C4'-P-C4' energy: -84.703
flat angles P-C4'-P energy: -64.636
tors. eta vs tors. theta energy: -116.629
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: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1498.852034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.852034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.852034 (E_RNA)
where:
Base-Base interactions energy: -1083.143
where: short stacking energy: -444.391
Base-Backbone interact. energy: 1.578
local terms energy: -417.287652
where:
bonds (distance) C4'-P energy: -85.656
bonds (distance) P-C4' energy: -78.284
flat angles C4'-P-C4' energy: -80.418
flat angles P-C4'-P energy: -52.605
tors. eta vs tors. theta energy: -120.325
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1280.672995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.672995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.672995 (E_RNA)
where:
Base-Base interactions energy: -865.042
where: short stacking energy: -362.235
Base-Backbone interact. energy: 0.125
local terms energy: -415.755501
where:
bonds (distance) C4'-P energy: -76.440
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -93.751
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: -106.119
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: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1048.432557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.432557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.432557 (E_RNA)
where:
Base-Base interactions energy: -686.422
where: short stacking energy: -291.648
Base-Backbone interact. energy: -1.344
local terms energy: -360.665854
where:
bonds (distance) C4'-P energy: -79.490
bonds (distance) P-C4' energy: -81.246
flat angles C4'-P-C4' energy: -92.531
flat angles P-C4'-P energy: -50.816
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: 99
Temperature: 1.350000
Total energy: -868.640648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.640648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.640648 (E_RNA)
where:
Base-Base interactions energy: -552.919
where: short stacking energy: -255.082
Base-Backbone interact. energy: 2.587
local terms energy: -318.309350
where:
bonds (distance) C4'-P energy: -58.103
bonds (distance) P-C4' energy: -90.752
flat angles C4'-P-C4' energy: -85.669
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1855.713546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.713546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.713546 (E_RNA)
where:
Base-Base interactions energy: -1292.726
where: short stacking energy: -550.404
Base-Backbone interact. energy: -2.519
local terms energy: -560.468956
where:
bonds (distance) C4'-P energy: -101.797
bonds (distance) P-C4' energy: -97.330
flat angles C4'-P-C4' energy: -113.737
flat angles P-C4'-P energy: -88.236
tors. eta vs tors. theta energy: -159.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1797.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.699132 (E_RNA)
where:
Base-Base interactions energy: -1274.427
where: short stacking energy: -551.632
Base-Backbone interact. energy: -1.902
local terms energy: -521.370381
where:
bonds (distance) C4'-P energy: -72.833
bonds (distance) P-C4' energy: -97.996
flat angles C4'-P-C4' energy: -109.781
flat angles P-C4'-P energy: -78.735
tors. eta vs tors. theta energy: -162.025
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1697.324046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.324046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.324046 (E_RNA)
where:
Base-Base interactions energy: -1198.161
where: short stacking energy: -487.290
Base-Backbone interact. energy: -1.819
local terms energy: -497.343624
where:
bonds (distance) C4'-P energy: -85.774
bonds (distance) P-C4' energy: -102.464
flat angles C4'-P-C4' energy: -98.352
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -132.966
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: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1667.420304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.420304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.420304 (E_RNA)
where:
Base-Base interactions energy: -1152.914
where: short stacking energy: -484.635
Base-Backbone interact. energy: -2.149
local terms energy: -512.358231
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -97.273
flat angles C4'-P-C4' energy: -111.197
flat angles P-C4'-P energy: -71.222
tors. eta vs tors. theta energy: -141.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1540.852182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.852182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.852182 (E_RNA)
where:
Base-Base interactions energy: -1076.838
where: short stacking energy: -469.173
Base-Backbone interact. energy: 2.712
local terms energy: -466.725829
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -95.509
flat angles C4'-P-C4' energy: -99.192
flat angles P-C4'-P energy: -58.541
tors. eta vs tors. theta energy: -129.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1467.058603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.058603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.058603 (E_RNA)
where:
Base-Base interactions energy: -1033.261
where: short stacking energy: -436.925
Base-Backbone interact. energy: 0.028
local terms energy: -433.825495
where:
bonds (distance) C4'-P energy: -78.565
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -94.739
flat angles P-C4'-P energy: -67.679
tors. eta vs tors. theta energy: -120.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1475.267765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.267765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.267765 (E_RNA)
where:
Base-Base interactions energy: -1037.065
where: short stacking energy: -429.847
Base-Backbone interact. energy: -3.520
local terms energy: -434.682279
where:
bonds (distance) C4'-P energy: -88.321
bonds (distance) P-C4' energy: -75.690
flat angles C4'-P-C4' energy: -96.936
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -121.091
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: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1235.994445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.994445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.994445 (E_RNA)
where:
Base-Base interactions energy: -867.700
where: short stacking energy: -342.316
Base-Backbone interact. energy: 0.712
local terms energy: -369.006674
where:
bonds (distance) C4'-P energy: -74.287
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -100.167
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -78.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1126.604113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.604113 (E_RNA)
where:
Base-Base interactions energy: -764.730
where: short stacking energy: -319.490
Base-Backbone interact. energy: -2.427
local terms energy: -359.446509
where:
bonds (distance) C4'-P energy: -67.417
bonds (distance) P-C4' energy: -77.798
flat angles C4'-P-C4' energy: -83.939
flat angles P-C4'-P energy: -61.861
tors. eta vs tors. theta energy: -68.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -860.570980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.570980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.570980 (E_RNA)
where:
Base-Base interactions energy: -541.767
where: short stacking energy: -226.078
Base-Backbone interact. energy: -2.225
local terms energy: -316.579206
where:
bonds (distance) C4'-P energy: -70.869
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -87.080
flat angles P-C4'-P energy: -47.864
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1849.494241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.494241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.494241 (E_RNA)
where:
Base-Base interactions energy: -1305.021
where: short stacking energy: -549.870
Base-Backbone interact. energy: -1.553
local terms energy: -542.920141
where:
bonds (distance) C4'-P energy: -87.963
bonds (distance) P-C4' energy: -105.682
flat angles C4'-P-C4' energy: -112.723
flat angles P-C4'-P energy: -75.691
tors. eta vs tors. theta energy: -160.861
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: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1794.276833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.276833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.276833 (E_RNA)
where:
Base-Base interactions energy: -1256.947
where: short stacking energy: -510.681
Base-Backbone interact. energy: -1.076
local terms energy: -536.253604
where:
bonds (distance) C4'-P energy: -90.021
bonds (distance) P-C4' energy: -104.475
flat angles C4'-P-C4' energy: -108.294
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -153.761
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: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1703.362660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.362660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.362660 (E_RNA)
where:
Base-Base interactions energy: -1202.524
where: short stacking energy: -495.819
Base-Backbone interact. energy: -1.267
local terms energy: -499.571286
where:
bonds (distance) C4'-P energy: -77.899
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -112.236
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -140.751
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: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1640.160272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.160272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.160272 (E_RNA)
where:
Base-Base interactions energy: -1161.224
where: short stacking energy: -473.299
Base-Backbone interact. energy: -0.636
local terms energy: -478.300143
where:
bonds (distance) C4'-P energy: -80.388
bonds (distance) P-C4' energy: -99.875
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -57.598
tors. eta vs tors. theta energy: -138.894
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1574.323962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.323962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.323962 (E_RNA)
where:
Base-Base interactions energy: -1104.921
where: short stacking energy: -457.715
Base-Backbone interact. energy: -1.460
local terms energy: -467.942814
where:
bonds (distance) C4'-P energy: -88.068
bonds (distance) P-C4' energy: -88.778
flat angles C4'-P-C4' energy: -93.903
flat angles P-C4'-P energy: -69.435
tors. eta vs tors. theta energy: -127.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1527.096437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.096437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.096437 (E_RNA)
where:
Base-Base interactions energy: -1088.725
where: short stacking energy: -435.725
Base-Backbone interact. energy: 2.989
local terms energy: -441.360272
where:
bonds (distance) C4'-P energy: -78.421
bonds (distance) P-C4' energy: -81.835
flat angles C4'-P-C4' energy: -91.565
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -112.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1479.191685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.191685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.191685 (E_RNA)
where:
Base-Base interactions energy: -1052.957
where: short stacking energy: -409.728
Base-Backbone interact. energy: 1.800
local terms energy: -428.034933
where:
bonds (distance) C4'-P energy: -81.465
bonds (distance) P-C4' energy: -85.263
flat angles C4'-P-C4' energy: -85.110
flat angles P-C4'-P energy: -64.061
tors. eta vs tors. theta energy: -112.136
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: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1186.258046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.258046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.258046 (E_RNA)
where:
Base-Base interactions energy: -806.093
where: short stacking energy: -348.500
Base-Backbone interact. energy: -2.018
local terms energy: -378.146931
where:
bonds (distance) C4'-P energy: -79.979
bonds (distance) P-C4' energy: -71.185
flat angles C4'-P-C4' energy: -93.418
flat angles P-C4'-P energy: -48.253
tors. eta vs tors. theta energy: -85.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1165.281042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.281042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.281042 (E_RNA)
where:
Base-Base interactions energy: -797.203
where: short stacking energy: -341.376
Base-Backbone interact. energy: -0.436
local terms energy: -367.641348
where:
bonds (distance) C4'-P energy: -78.993
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -79.521
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -82.138
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: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -852.348918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.348918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.348918 (E_RNA)
where:
Base-Base interactions energy: -537.044
where: short stacking energy: -235.955
Base-Backbone interact. energy: -0.939
local terms energy: -314.365304
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -38.174
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1841.454494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.454494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.454494 (E_RNA)
where:
Base-Base interactions energy: -1305.296
where: short stacking energy: -542.259
Base-Backbone interact. energy: -0.291
local terms energy: -535.867808
where:
bonds (distance) C4'-P energy: -98.920
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -118.108
flat angles P-C4'-P energy: -71.269
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: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1775.971386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.971386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.971386 (E_RNA)
where:
Base-Base interactions energy: -1254.088
where: short stacking energy: -531.338
Base-Backbone interact. energy: 6.092
local terms energy: -527.975743
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -100.847
flat angles C4'-P-C4' energy: -108.742
flat angles P-C4'-P energy: -80.634
tors. eta vs tors. theta energy: -155.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1724.796080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.796080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.796080 (E_RNA)
where:
Base-Base interactions energy: -1225.296
where: short stacking energy: -521.001
Base-Backbone interact. energy: -1.205
local terms energy: -498.294948
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -110.134
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -144.647
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: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1671.494897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.494897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.494897 (E_RNA)
where:
Base-Base interactions energy: -1189.316
where: short stacking energy: -496.246
Base-Backbone interact. energy: -0.799
local terms energy: -481.380298
where:
bonds (distance) C4'-P energy: -95.214
bonds (distance) P-C4' energy: -77.708
flat angles C4'-P-C4' energy: -99.138
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -141.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1555.743573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.743573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.743573 (E_RNA)
where:
Base-Base interactions energy: -1110.941
where: short stacking energy: -468.173
Base-Backbone interact. energy: 1.022
local terms energy: -445.825115
where:
bonds (distance) C4'-P energy: -78.039
bonds (distance) P-C4' energy: -95.583
flat angles C4'-P-C4' energy: -94.583
flat angles P-C4'-P energy: -48.067
tors. eta vs tors. theta energy: -129.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1572.130188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.130188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.130188 (E_RNA)
where:
Base-Base interactions energy: -1106.779
where: short stacking energy: -466.819
Base-Backbone interact. energy: 0.705
local terms energy: -466.055343
where:
bonds (distance) C4'-P energy: -77.451
bonds (distance) P-C4' energy: -86.848
flat angles C4'-P-C4' energy: -105.754
flat angles P-C4'-P energy: -69.373
tors. eta vs tors. theta energy: -126.630
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: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1489.876208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.876208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.876208 (E_RNA)
where:
Base-Base interactions energy: -1016.694
where: short stacking energy: -409.527
Base-Backbone interact. energy: -1.883
local terms energy: -471.299848
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -101.867
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -114.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1243.144115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.144115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.144115 (E_RNA)
where:
Base-Base interactions energy: -834.907
where: short stacking energy: -367.073
Base-Backbone interact. energy: -1.742
local terms energy: -406.495217
where:
bonds (distance) C4'-P energy: -88.806
bonds (distance) P-C4' energy: -91.210
flat angles C4'-P-C4' energy: -80.431
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -102.805
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: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1158.567264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.567264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.567264 (E_RNA)
where:
Base-Base interactions energy: -813.381
where: short stacking energy: -359.896
Base-Backbone interact. energy: 0.932
local terms energy: -346.117624
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -76.641
flat angles C4'-P-C4' energy: -81.896
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -82.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -832.409590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.409590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.409590 (E_RNA)
where:
Base-Base interactions energy: -539.239
where: short stacking energy: -239.834
Base-Backbone interact. energy: -1.930
local terms energy: -291.240337
where:
bonds (distance) C4'-P energy: -81.115
bonds (distance) P-C4' energy: -69.841
flat angles C4'-P-C4' energy: -67.928
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1834.844453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.844453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.844453 (E_RNA)
where:
Base-Base interactions energy: -1290.044
where: short stacking energy: -530.847
Base-Backbone interact. energy: -1.681
local terms energy: -543.120130
where:
bonds (distance) C4'-P energy: -89.316
bonds (distance) P-C4' energy: -99.439
flat angles C4'-P-C4' energy: -111.845
flat angles P-C4'-P energy: -81.560
tors. eta vs tors. theta energy: -160.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1778.452379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.452379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.452379 (E_RNA)
where:
Base-Base interactions energy: -1242.435
where: short stacking energy: -532.725
Base-Backbone interact. energy: -1.164
local terms energy: -534.853518
where:
bonds (distance) C4'-P energy: -98.650
bonds (distance) P-C4' energy: -92.406
flat angles C4'-P-C4' energy: -112.748
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -155.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1740.219096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.219096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.219096 (E_RNA)
where:
Base-Base interactions energy: -1221.393
where: short stacking energy: -517.059
Base-Backbone interact. energy: -4.327
local terms energy: -514.499425
where:
bonds (distance) C4'-P energy: -89.544
bonds (distance) P-C4' energy: -97.648
flat angles C4'-P-C4' energy: -105.829
flat angles P-C4'-P energy: -68.183
tors. eta vs tors. theta energy: -153.295
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: 103
Temperature: 1.050000
Total energy: -1684.138980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.138980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.138980 (E_RNA)
where:
Base-Base interactions energy: -1190.552
where: short stacking energy: -505.489
Base-Backbone interact. energy: -2.570
local terms energy: -491.016787
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -96.851
flat angles C4'-P-C4' energy: -105.649
flat angles P-C4'-P energy: -76.632
tors. eta vs tors. theta energy: -138.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1541.608570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.608570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.608570 (E_RNA)
where:
Base-Base interactions energy: -1058.853
where: short stacking energy: -446.427
Base-Backbone interact. energy: -1.039
local terms energy: -481.716443
where:
bonds (distance) C4'-P energy: -80.255
bonds (distance) P-C4' energy: -95.225
flat angles C4'-P-C4' energy: -109.017
flat angles P-C4'-P energy: -75.545
tors. eta vs tors. theta energy: -121.674
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: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1587.442740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.442740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.442740 (E_RNA)
where:
Base-Base interactions energy: -1130.800
where: short stacking energy: -459.457
Base-Backbone interact. energy: -0.030
local terms energy: -456.612494
where:
bonds (distance) C4'-P energy: -84.384
bonds (distance) P-C4' energy: -92.252
flat angles C4'-P-C4' energy: -93.852
flat angles P-C4'-P energy: -64.295
tors. eta vs tors. theta energy: -121.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1521.891227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.891227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.891227 (E_RNA)
where:
Base-Base interactions energy: -1053.326
where: short stacking energy: -433.671
Base-Backbone interact. energy: 0.579
local terms energy: -469.144171
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -89.952
flat angles C4'-P-C4' energy: -102.271
flat angles P-C4'-P energy: -62.919
tors. eta vs tors. theta energy: -122.266
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: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1229.618130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.618130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.618130 (E_RNA)
where:
Base-Base interactions energy: -839.862
where: short stacking energy: -356.322
Base-Backbone interact. energy: -1.391
local terms energy: -388.364395
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -83.470
flat angles C4'-P-C4' energy: -76.003
flat angles P-C4'-P energy: -53.357
tors. eta vs tors. theta energy: -88.648
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: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1038.544570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.544570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.544570 (E_RNA)
where:
Base-Base interactions energy: -709.099
where: short stacking energy: -281.576
Base-Backbone interact. energy: -2.180
local terms energy: -327.265990
where:
bonds (distance) C4'-P energy: -72.374
bonds (distance) P-C4' energy: -77.129
flat angles C4'-P-C4' energy: -65.460
flat angles P-C4'-P energy: -62.367
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -798.864453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.864453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.864453 (E_RNA)
where:
Base-Base interactions energy: -490.726
where: short stacking energy: -217.203
Base-Backbone interact. energy: -2.139
local terms energy: -306.000184
where:
bonds (distance) C4'-P energy: -66.158
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -74.514
flat angles P-C4'-P energy: -49.755
tors. eta vs tors. theta energy: -33.741
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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1848.123366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.123366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.123366 (E_RNA)
where:
Base-Base interactions energy: -1310.788
where: short stacking energy: -546.052
Base-Backbone interact. energy: -1.265
local terms energy: -536.070002
where:
bonds (distance) C4'-P energy: -92.853
bonds (distance) P-C4' energy: -88.740
flat angles C4'-P-C4' energy: -123.920
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -157.237
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1804.834679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.834679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.834679 (E_RNA)
where:
Base-Base interactions energy: -1248.057
where: short stacking energy: -549.280
Base-Backbone interact. energy: -1.337
local terms energy: -555.440094
where:
bonds (distance) C4'-P energy: -95.140
bonds (distance) P-C4' energy: -114.403
flat angles C4'-P-C4' energy: -112.011
flat angles P-C4'-P energy: -69.235
tors. eta vs tors. theta energy: -164.652
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1764.093692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.093692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.093692 (E_RNA)
where:
Base-Base interactions energy: -1260.518
where: short stacking energy: -509.349
Base-Backbone interact. energy: -0.664
local terms energy: -502.911499
where:
bonds (distance) C4'-P energy: -82.696
bonds (distance) P-C4' energy: -93.737
flat angles C4'-P-C4' energy: -107.368
flat angles P-C4'-P energy: -77.932
tors. eta vs tors. theta energy: -141.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1678.915223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.915223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.915223 (E_RNA)
where:
Base-Base interactions energy: -1166.808
where: short stacking energy: -497.143
Base-Backbone interact. energy: -2.362
local terms energy: -509.745525
where:
bonds (distance) C4'-P energy: -88.326
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -112.540
flat angles P-C4'-P energy: -70.659
tors. eta vs tors. theta energy: -144.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1612.891887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.891887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.891887 (E_RNA)
where:
Base-Base interactions energy: -1132.033
where: short stacking energy: -460.995
Base-Backbone interact. energy: -3.511
local terms energy: -477.347678
where:
bonds (distance) C4'-P energy: -75.440
bonds (distance) P-C4' energy: -94.799
flat angles C4'-P-C4' energy: -107.109
flat angles P-C4'-P energy: -66.255
tors. eta vs tors. theta energy: -133.744
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: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1522.882997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.882997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.882997 (E_RNA)
where:
Base-Base interactions energy: -1064.077
where: short stacking energy: -472.427
Base-Backbone interact. energy: -1.033
local terms energy: -457.773555
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -83.936
flat angles C4'-P-C4' energy: -95.715
flat angles P-C4'-P energy: -73.094
tors. eta vs tors. theta energy: -134.229
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: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1458.272612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.272612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.272612 (E_RNA)
where:
Base-Base interactions energy: -1022.235
where: short stacking energy: -439.057
Base-Backbone interact. energy: -2.230
local terms energy: -433.807948
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -71.200
flat angles C4'-P-C4' energy: -89.158
flat angles P-C4'-P energy: -58.980
tors. eta vs tors. theta energy: -128.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1235.968541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.968541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.968541 (E_RNA)
where:
Base-Base interactions energy: -865.877
where: short stacking energy: -380.222
Base-Backbone interact. energy: -2.102
local terms energy: -367.989526
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -80.864
flat angles C4'-P-C4' energy: -94.399
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -86.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -994.976499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.976499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.976499 (E_RNA)
where:
Base-Base interactions energy: -639.445
where: short stacking energy: -270.897
Base-Backbone interact. energy: -0.890
local terms energy: -354.641403
where:
bonds (distance) C4'-P energy: -77.466
bonds (distance) P-C4' energy: -84.632
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -53.658
tors. eta vs tors. theta energy: -66.955
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: 104
Temperature: 1.350000
Total energy: -831.215096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.215096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.215096 (E_RNA)
where:
Base-Base interactions energy: -522.560
where: short stacking energy: -229.291
Base-Backbone interact. energy: 1.807
local terms energy: -310.461995
where:
bonds (distance) C4'-P energy: -67.036
bonds (distance) P-C4' energy: -91.470
flat angles C4'-P-C4' energy: -67.524
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -34.415
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: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1835.667852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.667852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.667852 (E_RNA)
where:
Base-Base interactions energy: -1304.102
where: short stacking energy: -546.482
Base-Backbone interact. energy: -0.871
local terms energy: -530.694714
where:
bonds (distance) C4'-P energy: -85.725
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -116.933
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -155.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1771.659060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.659060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.659060 (E_RNA)
where:
Base-Base interactions energy: -1244.515
where: short stacking energy: -525.347
Base-Backbone interact. energy: -3.293
local terms energy: -523.851656
where:
bonds (distance) C4'-P energy: -84.228
bonds (distance) P-C4' energy: -100.105
flat angles C4'-P-C4' energy: -111.783
flat angles P-C4'-P energy: -83.018
tors. eta vs tors. theta energy: -144.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1753.809413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.809413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.809413 (E_RNA)
where:
Base-Base interactions energy: -1217.846
where: short stacking energy: -505.882
Base-Backbone interact. energy: -1.861
local terms energy: -534.103021
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -101.097
flat angles C4'-P-C4' energy: -113.187
flat angles P-C4'-P energy: -85.402
tors. eta vs tors. theta energy: -147.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1627.346564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.346564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.346564 (E_RNA)
where:
Base-Base interactions energy: -1157.977
where: short stacking energy: -458.343
Base-Backbone interact. energy: 0.895
local terms energy: -470.265211
where:
bonds (distance) C4'-P energy: -84.348
bonds (distance) P-C4' energy: -95.799
flat angles C4'-P-C4' energy: -100.232
flat angles P-C4'-P energy: -67.894
tors. eta vs tors. theta energy: -121.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1593.420076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.420076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.420076 (E_RNA)
where:
Base-Base interactions energy: -1119.436
where: short stacking energy: -476.582
Base-Backbone interact. energy: -2.391
local terms energy: -471.593152
where:
bonds (distance) C4'-P energy: -87.829
bonds (distance) P-C4' energy: -75.106
flat angles C4'-P-C4' energy: -106.382
flat angles P-C4'-P energy: -64.186
tors. eta vs tors. theta energy: -138.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1462.178436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.178436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.178436 (E_RNA)
where:
Base-Base interactions energy: -1004.288
where: short stacking energy: -440.755
Base-Backbone interact. energy: -1.801
local terms energy: -456.089255
where:
bonds (distance) C4'-P energy: -84.479
bonds (distance) P-C4' energy: -86.327
flat angles C4'-P-C4' energy: -92.681
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -126.984
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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1428.387962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.387962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.387962 (E_RNA)
where:
Base-Base interactions energy: -989.114
where: short stacking energy: -405.247
Base-Backbone interact. energy: 0.380
local terms energy: -439.654151
where:
bonds (distance) C4'-P energy: -85.202
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -83.070
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -114.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1236.533734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.533734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.533734 (E_RNA)
where:
Base-Base interactions energy: -837.569
where: short stacking energy: -335.212
Base-Backbone interact. energy: 2.422
local terms energy: -401.387210
where:
bonds (distance) C4'-P energy: -79.042
bonds (distance) P-C4' energy: -80.422
flat angles C4'-P-C4' energy: -92.604
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -89.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -990.926283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.926283 (E_RNA)
where:
Base-Base interactions energy: -679.158
where: short stacking energy: -291.428
Base-Backbone interact. energy: -0.181
local terms energy: -311.586904
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -74.058
flat angles C4'-P-C4' energy: -84.512
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -52.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -804.218754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.218754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.218754 (E_RNA)
where:
Base-Base interactions energy: -479.172
where: short stacking energy: -235.003
Base-Backbone interact. energy: 0.099
local terms energy: -325.145675
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: -49.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1832.231684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.231684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.231684 (E_RNA)
where:
Base-Base interactions energy: -1268.488
where: short stacking energy: -518.407
Base-Backbone interact. energy: -1.299
local terms energy: -562.444787
where:
bonds (distance) C4'-P energy: -101.412
bonds (distance) P-C4' energy: -109.054
flat angles C4'-P-C4' energy: -116.790
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -153.013
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: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1762.696338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.696338 (E_RNA)
where:
Base-Base interactions energy: -1244.409
where: short stacking energy: -507.126
Base-Backbone interact. energy: -2.109
local terms energy: -516.178674
where:
bonds (distance) C4'-P energy: -76.912
bonds (distance) P-C4' energy: -103.373
flat angles C4'-P-C4' energy: -115.041
flat angles P-C4'-P energy: -66.948
tors. eta vs tors. theta energy: -153.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1669.462735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.462735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.462735 (E_RNA)
where:
Base-Base interactions energy: -1169.676
where: short stacking energy: -472.903
Base-Backbone interact. energy: -1.724
local terms energy: -498.063259
where:
bonds (distance) C4'-P energy: -90.651
bonds (distance) P-C4' energy: -102.817
flat angles C4'-P-C4' energy: -103.383
flat angles P-C4'-P energy: -68.534
tors. eta vs tors. theta energy: -132.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1663.492587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.492587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.492587 (E_RNA)
where:
Base-Base interactions energy: -1173.352
where: short stacking energy: -510.908
Base-Backbone interact. energy: -1.097
local terms energy: -489.044230
where:
bonds (distance) C4'-P energy: -85.726
bonds (distance) P-C4' energy: -87.542
flat angles C4'-P-C4' energy: -110.133
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -142.121
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: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1529.034671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.034671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.034671 (E_RNA)
where:
Base-Base interactions energy: -1075.505
where: short stacking energy: -430.486
Base-Backbone interact. energy: 0.603
local terms energy: -454.133181
where:
bonds (distance) C4'-P energy: -84.521
bonds (distance) P-C4' energy: -86.317
flat angles C4'-P-C4' energy: -96.831
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -126.576
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1478.369022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.369022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.369022 (E_RNA)
where:
Base-Base interactions energy: -1001.159
where: short stacking energy: -413.285
Base-Backbone interact. energy: -0.430
local terms energy: -476.779729
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -107.735
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -121.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1448.941897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.941897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.941897 (E_RNA)
where:
Base-Base interactions energy: -1004.171
where: short stacking energy: -400.460
Base-Backbone interact. energy: 1.609
local terms energy: -446.380558
where:
bonds (distance) C4'-P energy: -81.945
bonds (distance) P-C4' energy: -89.188
flat angles C4'-P-C4' energy: -95.905
flat angles P-C4'-P energy: -59.998
tors. eta vs tors. theta energy: -119.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1227.372749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.372749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.372749 (E_RNA)
where:
Base-Base interactions energy: -841.030
where: short stacking energy: -342.777
Base-Backbone interact. energy: -0.951
local terms energy: -385.391273
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -86.855
flat angles C4'-P-C4' energy: -92.383
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -75.140
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: 106
Temperature: 1.300000
Total energy: -1066.528802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.528802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.528802 (E_RNA)
where:
Base-Base interactions energy: -691.709
where: short stacking energy: -304.269
Base-Backbone interact. energy: -2.805
local terms energy: -372.015235
where:
bonds (distance) C4'-P energy: -80.579
bonds (distance) P-C4' energy: -77.504
flat angles C4'-P-C4' energy: -89.862
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -76.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -805.273639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.273639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.273639 (E_RNA)
where:
Base-Base interactions energy: -503.612
where: short stacking energy: -250.252
Base-Backbone interact. energy: 2.616
local terms energy: -304.277901
where:
bonds (distance) C4'-P energy: -67.673
bonds (distance) P-C4' energy: -76.056
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -44.462
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: 107
Temperature: 0.900000
Total energy: -1855.860867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.860867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.860867 (E_RNA)
where:
Base-Base interactions energy: -1296.741
where: short stacking energy: -536.158
Base-Backbone interact. energy: 0.454
local terms energy: -559.574311
where:
bonds (distance) C4'-P energy: -106.686
bonds (distance) P-C4' energy: -101.741
flat angles C4'-P-C4' energy: -112.000
flat angles P-C4'-P energy: -87.992
tors. eta vs tors. theta energy: -151.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1763.329182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.329182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.329182 (E_RNA)
where:
Base-Base interactions energy: -1260.891
where: short stacking energy: -526.965
Base-Backbone interact. energy: -0.276
local terms energy: -502.161626
where:
bonds (distance) C4'-P energy: -71.315
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -108.058
flat angles P-C4'-P energy: -75.369
tors. eta vs tors. theta energy: -150.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1658.540492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.540492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.540492 (E_RNA)
where:
Base-Base interactions energy: -1163.041
where: short stacking energy: -471.959
Base-Backbone interact. energy: -2.157
local terms energy: -493.342953
where:
bonds (distance) C4'-P energy: -97.471
bonds (distance) P-C4' energy: -90.249
flat angles C4'-P-C4' energy: -106.514
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -128.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1663.622371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.622371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.622371 (E_RNA)
where:
Base-Base interactions energy: -1123.811
where: short stacking energy: -501.162
Base-Backbone interact. energy: -1.492
local terms energy: -538.319084
where:
bonds (distance) C4'-P energy: -106.239
bonds (distance) P-C4' energy: -98.596
flat angles C4'-P-C4' energy: -110.007
flat angles P-C4'-P energy: -72.544
tors. eta vs tors. theta energy: -150.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1568.231589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.231589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.231589 (E_RNA)
where:
Base-Base interactions energy: -1101.445
where: short stacking energy: -454.511
Base-Backbone interact. energy: -1.952
local terms energy: -464.834423
where:
bonds (distance) C4'-P energy: -78.044
bonds (distance) P-C4' energy: -94.710
flat angles C4'-P-C4' energy: -97.258
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -134.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1507.495353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.495353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.495353 (E_RNA)
where:
Base-Base interactions energy: -1053.238
where: short stacking energy: -446.127
Base-Backbone interact. energy: 1.151
local terms energy: -455.408095
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -86.483
flat angles C4'-P-C4' energy: -97.940
flat angles P-C4'-P energy: -62.317
tors. eta vs tors. theta energy: -124.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1425.611294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.611294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.611294 (E_RNA)
where:
Base-Base interactions energy: -978.373
where: short stacking energy: -418.706
Base-Backbone interact. energy: -0.517
local terms energy: -446.720971
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -98.687
flat angles C4'-P-C4' energy: -88.175
flat angles P-C4'-P energy: -62.865
tors. eta vs tors. theta energy: -118.762
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: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1140.838344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.838344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.838344 (E_RNA)
where:
Base-Base interactions energy: -772.758
where: short stacking energy: -327.763
Base-Backbone interact. energy: 1.797
local terms energy: -369.877996
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -80.636
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -70.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1056.819539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.819539 (E_RNA)
where:
Base-Base interactions energy: -695.141
where: short stacking energy: -286.721
Base-Backbone interact. energy: 2.363
local terms energy: -364.041464
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -92.115
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -56.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -824.368410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.368410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.368410 (E_RNA)
where:
Base-Base interactions energy: -498.431
where: short stacking energy: -246.173
Base-Backbone interact. energy: 1.333
local terms energy: -327.270872
where:
bonds (distance) C4'-P energy: -63.294
bonds (distance) P-C4' energy: -74.481
flat angles C4'-P-C4' energy: -86.626
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -49.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1809.868921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.868921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.868921 (E_RNA)
where:
Base-Base interactions energy: -1262.924
where: short stacking energy: -516.764
Base-Backbone interact. energy: -0.772
local terms energy: -546.173208
where:
bonds (distance) C4'-P energy: -97.359
bonds (distance) P-C4' energy: -107.930
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -80.892
tors. eta vs tors. theta energy: -150.625
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: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1768.466665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.466665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.466665 (E_RNA)
where:
Base-Base interactions energy: -1251.489
where: short stacking energy: -516.915
Base-Backbone interact. energy: -1.437
local terms energy: -515.540138
where:
bonds (distance) C4'-P energy: -91.966
bonds (distance) P-C4' energy: -87.002
flat angles C4'-P-C4' energy: -111.967
flat angles P-C4'-P energy: -76.797
tors. eta vs tors. theta energy: -147.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1669.602543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.602543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.602543 (E_RNA)
where:
Base-Base interactions energy: -1171.059
where: short stacking energy: -469.299
Base-Backbone interact. energy: -1.686
local terms energy: -496.857070
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -98.891
flat angles C4'-P-C4' energy: -114.591
flat angles P-C4'-P energy: -68.424
tors. eta vs tors. theta energy: -123.860
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: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1681.289548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.289548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.289548 (E_RNA)
where:
Base-Base interactions energy: -1180.830
where: short stacking energy: -501.432
Base-Backbone interact. energy: -4.301
local terms energy: -496.158436
where:
bonds (distance) C4'-P energy: -89.873
bonds (distance) P-C4' energy: -84.663
flat angles C4'-P-C4' energy: -95.927
flat angles P-C4'-P energy: -80.321
tors. eta vs tors. theta energy: -145.374
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: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1584.916445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.916445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.916445 (E_RNA)
where:
Base-Base interactions energy: -1114.396
where: short stacking energy: -457.249
Base-Backbone interact. energy: 0.933
local terms energy: -471.454009
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -81.900
flat angles C4'-P-C4' energy: -111.606
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -128.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1523.326971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.326971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.326971 (E_RNA)
where:
Base-Base interactions energy: -1050.020
where: short stacking energy: -432.048
Base-Backbone interact. energy: -2.431
local terms energy: -470.875416
where:
bonds (distance) C4'-P energy: -90.182
bonds (distance) P-C4' energy: -91.921
flat angles C4'-P-C4' energy: -105.341
flat angles P-C4'-P energy: -63.893
tors. eta vs tors. theta energy: -119.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1427.534403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.534403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.534403 (E_RNA)
where:
Base-Base interactions energy: -1005.565
where: short stacking energy: -428.625
Base-Backbone interact. energy: -1.286
local terms energy: -420.683456
where:
bonds (distance) C4'-P energy: -67.830
bonds (distance) P-C4' energy: -82.143
flat angles C4'-P-C4' energy: -87.253
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -120.415
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: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1173.296067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.296067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.296067 (E_RNA)
where:
Base-Base interactions energy: -797.670
where: short stacking energy: -318.205
Base-Backbone interact. energy: -0.792
local terms energy: -374.833857
where:
bonds (distance) C4'-P energy: -93.684
bonds (distance) P-C4' energy: -76.925
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -52.932
tors. eta vs tors. theta energy: -66.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1106.488712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.488712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.488712 (E_RNA)
where:
Base-Base interactions energy: -736.876
where: short stacking energy: -325.472
Base-Backbone interact. energy: -0.294
local terms energy: -369.318075
where:
bonds (distance) C4'-P energy: -88.906
bonds (distance) P-C4' energy: -80.784
flat angles C4'-P-C4' energy: -86.290
flat angles P-C4'-P energy: -49.413
tors. eta vs tors. theta energy: -63.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -805.716427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.716427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.716427 (E_RNA)
where:
Base-Base interactions energy: -500.082
where: short stacking energy: -243.522
Base-Backbone interact. energy: 0.187
local terms energy: -305.821328
where:
bonds (distance) C4'-P energy: -62.579
bonds (distance) P-C4' energy: -83.153
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -49.391
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1830.859258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.859258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.859258 (E_RNA)
where:
Base-Base interactions energy: -1279.793
where: short stacking energy: -524.902
Base-Backbone interact. energy: -1.209
local terms energy: -549.857702
where:
bonds (distance) C4'-P energy: -98.008
bonds (distance) P-C4' energy: -101.394
flat angles C4'-P-C4' energy: -115.680
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -150.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1808.122014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.122014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.122014 (E_RNA)
where:
Base-Base interactions energy: -1263.059
where: short stacking energy: -531.391
Base-Backbone interact. energy: -4.567
local terms energy: -540.496043
where:
bonds (distance) C4'-P energy: -93.244
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -112.276
flat angles P-C4'-P energy: -84.421
tors. eta vs tors. theta energy: -153.366
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: 109
Temperature: 1.000000
Total energy: -1674.496142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.496142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.496142 (E_RNA)
where:
Base-Base interactions energy: -1176.973
where: short stacking energy: -471.448
Base-Backbone interact. energy: -1.521
local terms energy: -496.002633
where:
bonds (distance) C4'-P energy: -101.583
bonds (distance) P-C4' energy: -88.533
flat angles C4'-P-C4' energy: -97.944
flat angles P-C4'-P energy: -75.740
tors. eta vs tors. theta energy: -132.202
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: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1675.301964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.301964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.301964 (E_RNA)
where:
Base-Base interactions energy: -1178.135
where: short stacking energy: -480.357
Base-Backbone interact. energy: 0.895
local terms energy: -498.061827
where:
bonds (distance) C4'-P energy: -78.085
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -101.627
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -144.083
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1610.151455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.151455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.151455 (E_RNA)
where:
Base-Base interactions energy: -1102.796
where: short stacking energy: -482.317
Base-Backbone interact. energy: 0.994
local terms energy: -508.348931
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -101.785
flat angles C4'-P-C4' energy: -103.627
flat angles P-C4'-P energy: -72.055
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: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1528.661597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.661597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.661597 (E_RNA)
where:
Base-Base interactions energy: -1052.725
where: short stacking energy: -457.249
Base-Backbone interact. energy: -0.743
local terms energy: -475.194255
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -78.147
flat angles C4'-P-C4' energy: -104.527
flat angles P-C4'-P energy: -73.750
tors. eta vs tors. theta energy: -134.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1453.326119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.326119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.326119 (E_RNA)
where:
Base-Base interactions energy: -1022.165
where: short stacking energy: -432.146
Base-Backbone interact. energy: -3.912
local terms energy: -427.249907
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -74.963
flat angles C4'-P-C4' energy: -100.295
flat angles P-C4'-P energy: -53.339
tors. eta vs tors. theta energy: -128.348
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: 109
Temperature: 1.250000
Total energy: -1132.705514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.705514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.705514 (E_RNA)
where:
Base-Base interactions energy: -752.137
where: short stacking energy: -328.483
Base-Backbone interact. energy: 3.594
local terms energy: -384.162336
where:
bonds (distance) C4'-P energy: -80.716
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -80.500
flat angles P-C4'-P energy: -55.658
tors. eta vs tors. theta energy: -92.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1113.117494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.117494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.117494 (E_RNA)
where:
Base-Base interactions energy: -760.562
where: short stacking energy: -317.315
Base-Backbone interact. energy: 9.833
local terms energy: -362.388177
where:
bonds (distance) C4'-P energy: -77.171
bonds (distance) P-C4' energy: -88.205
flat angles C4'-P-C4' energy: -77.782
flat angles P-C4'-P energy: -52.080
tors. eta vs tors. theta energy: -67.150
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: 109
Temperature: 1.350000
Total energy: -814.290165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.290165 (E_RNA)
where:
Base-Base interactions energy: -478.687
where: short stacking energy: -226.922
Base-Backbone interact. energy: -3.495
local terms energy: -332.108283
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -79.837
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -47.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1841.870692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.870692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.870692 (E_RNA)
where:
Base-Base interactions energy: -1294.403
where: short stacking energy: -542.101
Base-Backbone interact. energy: -0.831
local terms energy: -546.636950
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -98.244
flat angles C4'-P-C4' energy: -117.958
flat angles P-C4'-P energy: -75.965
tors. eta vs tors. theta energy: -162.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1797.575420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.575420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.575420 (E_RNA)
where:
Base-Base interactions energy: -1269.582
where: short stacking energy: -532.390
Base-Backbone interact. energy: -1.845
local terms energy: -526.148997
where:
bonds (distance) C4'-P energy: -105.389
bonds (distance) P-C4' energy: -95.107
flat angles C4'-P-C4' energy: -114.557
flat angles P-C4'-P energy: -67.536
tors. eta vs tors. theta energy: -143.559
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1700.988373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.988373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.988373 (E_RNA)
where:
Base-Base interactions energy: -1184.603
where: short stacking energy: -509.118
Base-Backbone interact. energy: -1.973
local terms energy: -514.412424
where:
bonds (distance) C4'-P energy: -94.180
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -105.425
flat angles P-C4'-P energy: -78.270
tors. eta vs tors. theta energy: -145.996
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: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1657.425529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.425529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.425529 (E_RNA)
where:
Base-Base interactions energy: -1192.619
where: short stacking energy: -494.023
Base-Backbone interact. energy: -2.974
local terms energy: -461.832089
where:
bonds (distance) C4'-P energy: -81.589
bonds (distance) P-C4' energy: -81.291
flat angles C4'-P-C4' energy: -100.374
flat angles P-C4'-P energy: -69.122
tors. eta vs tors. theta energy: -129.456
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1591.859867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.859867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.859867 (E_RNA)
where:
Base-Base interactions energy: -1115.837
where: short stacking energy: -469.105
Base-Backbone interact. energy: -0.921
local terms energy: -475.102200
where:
bonds (distance) C4'-P energy: -86.530
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -103.819
flat angles P-C4'-P energy: -64.994
tors. eta vs tors. theta energy: -131.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1492.903276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.903276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.903276 (E_RNA)
where:
Base-Base interactions energy: -1036.116
where: short stacking energy: -450.400
Base-Backbone interact. energy: 3.615
local terms energy: -460.401960
where:
bonds (distance) C4'-P energy: -86.957
bonds (distance) P-C4' energy: -87.673
flat angles C4'-P-C4' energy: -97.859
flat angles P-C4'-P energy: -68.717
tors. eta vs tors. theta energy: -119.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1493.309484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.309484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.309484 (E_RNA)
where:
Base-Base interactions energy: -1018.472
where: short stacking energy: -441.653
Base-Backbone interact. energy: 0.911
local terms energy: -475.749140
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -86.627
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -60.284
tors. eta vs tors. theta energy: -129.945
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: 110
Temperature: 1.250000
Total energy: -1143.767375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.767375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.767375 (E_RNA)
where:
Base-Base interactions energy: -779.283
where: short stacking energy: -325.067
Base-Backbone interact. energy: -0.488
local terms energy: -363.996094
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -85.896
flat angles C4'-P-C4' energy: -85.416
flat angles P-C4'-P energy: -60.659
tors. eta vs tors. theta energy: -66.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1181.116881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.116881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.116881 (E_RNA)
where:
Base-Base interactions energy: -802.186
where: short stacking energy: -325.916
Base-Backbone interact. energy: -3.404
local terms energy: -375.526942
where:
bonds (distance) C4'-P energy: -80.739
bonds (distance) P-C4' energy: -80.723
flat angles C4'-P-C4' energy: -84.649
flat angles P-C4'-P energy: -48.670
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -763.810653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.810653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.810653 (E_RNA)
where:
Base-Base interactions energy: -459.237
where: short stacking energy: -225.006
Base-Backbone interact. energy: 0.956
local terms energy: -305.530203
where:
bonds (distance) C4'-P energy: -73.937
bonds (distance) P-C4' energy: -85.940
flat angles C4'-P-C4' energy: -65.997
flat angles P-C4'-P energy: -55.104
tors. eta vs tors. theta energy: -24.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1837.766759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.766759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.766759 (E_RNA)
where:
Base-Base interactions energy: -1289.434
where: short stacking energy: -519.642
Base-Backbone interact. energy: -2.148
local terms energy: -546.184101
where:
bonds (distance) C4'-P energy: -95.985
bonds (distance) P-C4' energy: -100.462
flat angles C4'-P-C4' energy: -118.220
flat angles P-C4'-P energy: -73.655
tors. eta vs tors. theta energy: -157.861
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: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1780.574527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.574527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.574527 (E_RNA)
where:
Base-Base interactions energy: -1267.372
where: short stacking energy: -525.317
Base-Backbone interact. energy: -3.567
local terms energy: -509.636268
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -87.984
flat angles C4'-P-C4' energy: -121.198
flat angles P-C4'-P energy: -80.219
tors. eta vs tors. theta energy: -150.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1717.182990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.182990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.182990 (E_RNA)
where:
Base-Base interactions energy: -1197.947
where: short stacking energy: -530.199
Base-Backbone interact. energy: -1.108
local terms energy: -518.128402
where:
bonds (distance) C4'-P energy: -86.239
bonds (distance) P-C4' energy: -88.464
flat angles C4'-P-C4' energy: -110.501
flat angles P-C4'-P energy: -75.594
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: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1680.848770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.848770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.848770 (E_RNA)
where:
Base-Base interactions energy: -1202.398
where: short stacking energy: -492.889
Base-Backbone interact. energy: -2.967
local terms energy: -475.483445
where:
bonds (distance) C4'-P energy: -79.193
bonds (distance) P-C4' energy: -90.626
flat angles C4'-P-C4' energy: -99.405
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -127.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1577.099442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.099442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.099442 (E_RNA)
where:
Base-Base interactions energy: -1127.846
where: short stacking energy: -488.740
Base-Backbone interact. energy: -1.212
local terms energy: -448.041410
where:
bonds (distance) C4'-P energy: -71.150
bonds (distance) P-C4' energy: -68.280
flat angles C4'-P-C4' energy: -100.408
flat angles P-C4'-P energy: -68.182
tors. eta vs tors. theta energy: -140.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1513.803749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.803749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.803749 (E_RNA)
where:
Base-Base interactions energy: -1059.486
where: short stacking energy: -432.134
Base-Backbone interact. energy: -0.026
local terms energy: -454.291710
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -88.881
flat angles C4'-P-C4' energy: -96.960
flat angles P-C4'-P energy: -59.465
tors. eta vs tors. theta energy: -118.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1439.899828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.899828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.899828 (E_RNA)
where:
Base-Base interactions energy: -987.986
where: short stacking energy: -431.273
Base-Backbone interact. energy: -2.165
local terms energy: -449.748476
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -126.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1197.358821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.358821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.358821 (E_RNA)
where:
Base-Base interactions energy: -833.748
where: short stacking energy: -335.872
Base-Backbone interact. energy: -2.101
local terms energy: -361.510027
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -82.376
flat angles C4'-P-C4' energy: -87.993
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: -82.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1082.334141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.334141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.334141 (E_RNA)
where:
Base-Base interactions energy: -745.758
where: short stacking energy: -334.997
Base-Backbone interact. energy: 0.973
local terms energy: -337.548926
where:
bonds (distance) C4'-P energy: -80.558
bonds (distance) P-C4' energy: -84.823
flat angles C4'-P-C4' energy: -65.625
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -869.246101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.246101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.246101 (E_RNA)
where:
Base-Base interactions energy: -563.245
where: short stacking energy: -254.153
Base-Backbone interact. energy: -0.253
local terms energy: -305.748227
where:
bonds (distance) C4'-P energy: -59.136
bonds (distance) P-C4' energy: -79.933
flat angles C4'-P-C4' energy: -73.577
flat angles P-C4'-P energy: -52.771
tors. eta vs tors. theta energy: -40.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1822.999352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.999352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.999352 (E_RNA)
where:
Base-Base interactions energy: -1270.578
where: short stacking energy: -534.477
Base-Backbone interact. energy: -1.430
local terms energy: -550.990839
where:
bonds (distance) C4'-P energy: -97.395
bonds (distance) P-C4' energy: -103.099
flat angles C4'-P-C4' energy: -112.634
flat angles P-C4'-P energy: -82.242
tors. eta vs tors. theta energy: -155.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1783.539728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.539728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.539728 (E_RNA)
where:
Base-Base interactions energy: -1250.687
where: short stacking energy: -515.451
Base-Backbone interact. energy: -1.902
local terms energy: -530.951485
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -96.985
flat angles C4'-P-C4' energy: -114.552
flat angles P-C4'-P energy: -64.675
tors. eta vs tors. theta energy: -150.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1703.546216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.546216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.546216 (E_RNA)
where:
Base-Base interactions energy: -1193.354
where: short stacking energy: -508.215
Base-Backbone interact. energy: -1.430
local terms energy: -508.761608
where:
bonds (distance) C4'-P energy: -91.026
bonds (distance) P-C4' energy: -87.812
flat angles C4'-P-C4' energy: -114.090
flat angles P-C4'-P energy: -70.433
tors. eta vs tors. theta energy: -145.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1650.572325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.572325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.572325 (E_RNA)
where:
Base-Base interactions energy: -1163.735
where: short stacking energy: -466.508
Base-Backbone interact. energy: -3.097
local terms energy: -483.740511
where:
bonds (distance) C4'-P energy: -92.405
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -94.311
flat angles P-C4'-P energy: -67.079
tors. eta vs tors. theta energy: -129.627
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: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1584.144524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.144524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.144524 (E_RNA)
where:
Base-Base interactions energy: -1108.300
where: short stacking energy: -450.831
Base-Backbone interact. energy: 0.086
local terms energy: -475.930989
where:
bonds (distance) C4'-P energy: -73.122
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -80.596
tors. eta vs tors. theta energy: -131.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1531.650779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.650779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.650779 (E_RNA)
where:
Base-Base interactions energy: -1067.809
where: short stacking energy: -463.736
Base-Backbone interact. energy: 0.212
local terms energy: -464.054110
where:
bonds (distance) C4'-P energy: -90.454
bonds (distance) P-C4' energy: -79.525
flat angles C4'-P-C4' energy: -98.926
flat angles P-C4'-P energy: -62.893
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: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1418.512413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.512413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.512413 (E_RNA)
where:
Base-Base interactions energy: -979.423
where: short stacking energy: -410.475
Base-Backbone interact. energy: -2.122
local terms energy: -436.967582
where:
bonds (distance) C4'-P energy: -81.116
bonds (distance) P-C4' energy: -100.711
flat angles C4'-P-C4' energy: -84.528
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -107.322
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: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1192.769552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.769552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.769552 (E_RNA)
where:
Base-Base interactions energy: -790.163
where: short stacking energy: -331.548
Base-Backbone interact. energy: -1.130
local terms energy: -401.476125
where:
bonds (distance) C4'-P energy: -82.089
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -103.016
flat angles P-C4'-P energy: -58.773
tors. eta vs tors. theta energy: -67.799
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: 112
Temperature: 1.300000
Total energy: -1059.905567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.905567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.905567 (E_RNA)
where:
Base-Base interactions energy: -737.943
where: short stacking energy: -317.061
Base-Backbone interact. energy: -0.573
local terms energy: -321.389552
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -76.178
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -60.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -877.051080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.051080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.051080 (E_RNA)
where:
Base-Base interactions energy: -532.386
where: short stacking energy: -252.685
Base-Backbone interact. energy: -2.190
local terms energy: -342.475128
where:
bonds (distance) C4'-P energy: -85.286
bonds (distance) P-C4' energy: -97.007
flat angles C4'-P-C4' energy: -87.420
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -38.041
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: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1842.002549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.002549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.002549 (E_RNA)
where:
Base-Base interactions energy: -1299.733
where: short stacking energy: -544.974
Base-Backbone interact. energy: -0.975
local terms energy: -541.294931
where:
bonds (distance) C4'-P energy: -95.458
bonds (distance) P-C4' energy: -99.864
flat angles C4'-P-C4' energy: -110.098
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -156.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1764.495770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.495770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.495770 (E_RNA)
where:
Base-Base interactions energy: -1266.129
where: short stacking energy: -511.719
Base-Backbone interact. energy: 5.943
local terms energy: -504.309211
where:
bonds (distance) C4'-P energy: -103.542
bonds (distance) P-C4' energy: -91.703
flat angles C4'-P-C4' energy: -107.928
flat angles P-C4'-P energy: -55.960
tors. eta vs tors. theta energy: -145.177
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: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1728.743582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.743582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.743582 (E_RNA)
where:
Base-Base interactions energy: -1212.724
where: short stacking energy: -520.376
Base-Backbone interact. energy: -0.282
local terms energy: -515.737207
where:
bonds (distance) C4'-P energy: -83.635
bonds (distance) P-C4' energy: -89.814
flat angles C4'-P-C4' energy: -108.909
flat angles P-C4'-P energy: -79.754
tors. eta vs tors. theta energy: -153.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1654.460607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.460607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.460607 (E_RNA)
where:
Base-Base interactions energy: -1166.592
where: short stacking energy: -464.651
Base-Backbone interact. energy: -2.457
local terms energy: -485.410996
where:
bonds (distance) C4'-P energy: -85.177
bonds (distance) P-C4' energy: -83.250
flat angles C4'-P-C4' energy: -102.546
flat angles P-C4'-P energy: -79.659
tors. eta vs tors. theta energy: -134.780
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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1603.435699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.435699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.435699 (E_RNA)
where:
Base-Base interactions energy: -1136.179
where: short stacking energy: -466.690
Base-Backbone interact. energy: -1.546
local terms energy: -465.710734
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -97.397
flat angles P-C4'-P energy: -65.974
tors. eta vs tors. theta energy: -134.073
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: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1545.358804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.358804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.358804 (E_RNA)
where:
Base-Base interactions energy: -1066.697
where: short stacking energy: -461.499
Base-Backbone interact. energy: 1.168
local terms energy: -479.829919
where:
bonds (distance) C4'-P energy: -75.802
bonds (distance) P-C4' energy: -89.801
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -139.733
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: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1426.514987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.514987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.514987 (E_RNA)
where:
Base-Base interactions energy: -1012.804
where: short stacking energy: -400.536
Base-Backbone interact. energy: -0.904
local terms energy: -412.806650
where:
bonds (distance) C4'-P energy: -71.501
bonds (distance) P-C4' energy: -80.680
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -109.995
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: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1206.548586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.548586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.548586 (E_RNA)
where:
Base-Base interactions energy: -817.382
where: short stacking energy: -346.264
Base-Backbone interact. energy: -0.687
local terms energy: -388.479033
where:
bonds (distance) C4'-P energy: -83.070
bonds (distance) P-C4' energy: -95.985
flat angles C4'-P-C4' energy: -75.566
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -88.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1051.975329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.975329 (E_RNA)
where:
Base-Base interactions energy: -695.259
where: short stacking energy: -304.250
Base-Backbone interact. energy: 0.558
local terms energy: -357.274980
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -91.404
flat angles P-C4'-P energy: -46.810
tors. eta vs tors. theta energy: -53.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -811.391465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.391465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.391465 (E_RNA)
where:
Base-Base interactions energy: -500.261
where: short stacking energy: -229.171
Base-Backbone interact. energy: 2.369
local terms energy: -313.499747
where:
bonds (distance) C4'-P energy: -86.662
bonds (distance) P-C4' energy: -80.745
flat angles C4'-P-C4' energy: -66.780
flat angles P-C4'-P energy: -42.067
tors. eta vs tors. theta energy: -37.246
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: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1825.318964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.318964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.318964 (E_RNA)
where:
Base-Base interactions energy: -1286.943
where: short stacking energy: -554.573
Base-Backbone interact. energy: -1.192
local terms energy: -537.183577
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -86.739
flat angles C4'-P-C4' energy: -119.932
flat angles P-C4'-P energy: -81.880
tors. eta vs tors. theta energy: -153.998
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: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1757.674682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.674682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.674682 (E_RNA)
where:
Base-Base interactions energy: -1227.507
where: short stacking energy: -497.763
Base-Backbone interact. energy: -1.242
local terms energy: -528.925593
where:
bonds (distance) C4'-P energy: -84.458
bonds (distance) P-C4' energy: -103.484
flat angles C4'-P-C4' energy: -111.508
flat angles P-C4'-P energy: -80.707
tors. eta vs tors. theta energy: -148.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1739.695711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.695711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.695711 (E_RNA)
where:
Base-Base interactions energy: -1209.231
where: short stacking energy: -515.983
Base-Backbone interact. energy: -1.777
local terms energy: -528.687325
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -101.200
flat angles C4'-P-C4' energy: -107.362
flat angles P-C4'-P energy: -71.784
tors. eta vs tors. theta energy: -153.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1677.649953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.649953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.649953 (E_RNA)
where:
Base-Base interactions energy: -1180.666
where: short stacking energy: -470.439
Base-Backbone interact. energy: -0.682
local terms energy: -496.301609
where:
bonds (distance) C4'-P energy: -93.936
bonds (distance) P-C4' energy: -94.942
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -64.764
tors. eta vs tors. theta energy: -133.899
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: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1595.356070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.356070 (E_RNA)
where:
Base-Base interactions energy: -1117.758
where: short stacking energy: -454.879
Base-Backbone interact. energy: 2.310
local terms energy: -479.908712
where:
bonds (distance) C4'-P energy: -79.003
bonds (distance) P-C4' energy: -97.147
flat angles C4'-P-C4' energy: -112.471
flat angles P-C4'-P energy: -74.105
tors. eta vs tors. theta energy: -117.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1531.813260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.813260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.813260 (E_RNA)
where:
Base-Base interactions energy: -1062.091
where: short stacking energy: -438.300
Base-Backbone interact. energy: -0.057
local terms energy: -469.665122
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -91.292
flat angles C4'-P-C4' energy: -98.703
flat angles P-C4'-P energy: -72.788
tors. eta vs tors. theta energy: -127.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1432.142748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.142748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.142748 (E_RNA)
where:
Base-Base interactions energy: -982.459
where: short stacking energy: -410.187
Base-Backbone interact. energy: -1.297
local terms energy: -448.386966
where:
bonds (distance) C4'-P energy: -83.216
bonds (distance) P-C4' energy: -86.276
flat angles C4'-P-C4' energy: -100.969
flat angles P-C4'-P energy: -56.414
tors. eta vs tors. theta energy: -121.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1204.343380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.343380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.343380 (E_RNA)
where:
Base-Base interactions energy: -852.492
where: short stacking energy: -351.920
Base-Backbone interact. energy: 0.066
local terms energy: -351.917433
where:
bonds (distance) C4'-P energy: -72.641
bonds (distance) P-C4' energy: -71.839
flat angles C4'-P-C4' energy: -73.044
flat angles P-C4'-P energy: -49.220
tors. eta vs tors. theta energy: -85.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1126.369521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.369521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.369521 (E_RNA)
where:
Base-Base interactions energy: -783.700
where: short stacking energy: -316.466
Base-Backbone interact. energy: 0.258
local terms energy: -342.927813
where:
bonds (distance) C4'-P energy: -71.317
bonds (distance) P-C4' energy: -81.193
flat angles C4'-P-C4' energy: -82.980
flat angles P-C4'-P energy: -52.852
tors. eta vs tors. theta energy: -54.586
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: 114
Temperature: 1.350000
Total energy: -798.388771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.388771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.388771 (E_RNA)
where:
Base-Base interactions energy: -506.823
where: short stacking energy: -210.594
Base-Backbone interact. energy: -3.077
local terms energy: -288.488699
where:
bonds (distance) C4'-P energy: -78.793
bonds (distance) P-C4' energy: -84.446
flat angles C4'-P-C4' energy: -81.204
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1818.798805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.798805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.798805 (E_RNA)
where:
Base-Base interactions energy: -1269.924
where: short stacking energy: -549.377
Base-Backbone interact. energy: -0.767
local terms energy: -548.107845
where:
bonds (distance) C4'-P energy: -94.033
bonds (distance) P-C4' energy: -94.654
flat angles C4'-P-C4' energy: -113.317
flat angles P-C4'-P energy: -83.936
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: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1758.845895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.845895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.845895 (E_RNA)
where:
Base-Base interactions energy: -1238.114
where: short stacking energy: -515.796
Base-Backbone interact. energy: 6.421
local terms energy: -527.152177
where:
bonds (distance) C4'-P energy: -90.446
bonds (distance) P-C4' energy: -100.306
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -79.028
tors. eta vs tors. theta energy: -146.322
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: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1713.087892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.087892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.087892 (E_RNA)
where:
Base-Base interactions energy: -1204.409
where: short stacking energy: -513.755
Base-Backbone interact. energy: -0.823
local terms energy: -507.855826
where:
bonds (distance) C4'-P energy: -93.931
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -103.691
flat angles P-C4'-P energy: -71.046
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1678.491877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.491877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.491877 (E_RNA)
where:
Base-Base interactions energy: -1186.931
where: short stacking energy: -478.013
Base-Backbone interact. energy: -3.943
local terms energy: -487.618076
where:
bonds (distance) C4'-P energy: -89.196
bonds (distance) P-C4' energy: -85.859
flat angles C4'-P-C4' energy: -108.730
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -133.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1612.548138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.548138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.548138 (E_RNA)
where:
Base-Base interactions energy: -1126.631
where: short stacking energy: -472.512
Base-Backbone interact. energy: -0.534
local terms energy: -485.383692
where:
bonds (distance) C4'-P energy: -93.009
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -96.296
flat angles P-C4'-P energy: -68.729
tors. eta vs tors. theta energy: -129.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1511.251758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.251758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.251758 (E_RNA)
where:
Base-Base interactions energy: -1040.062
where: short stacking energy: -453.455
Base-Backbone interact. energy: -0.488
local terms energy: -470.701534
where:
bonds (distance) C4'-P energy: -75.566
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -98.182
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -131.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1483.519614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.519614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.519614 (E_RNA)
where:
Base-Base interactions energy: -1023.811
where: short stacking energy: -435.970
Base-Backbone interact. energy: -0.873
local terms energy: -458.835631
where:
bonds (distance) C4'-P energy: -75.836
bonds (distance) P-C4' energy: -85.623
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -134.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1213.678194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.678194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.678194 (E_RNA)
where:
Base-Base interactions energy: -845.206
where: short stacking energy: -346.308
Base-Backbone interact. energy: -0.947
local terms energy: -367.525382
where:
bonds (distance) C4'-P energy: -86.544
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -76.103
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: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1136.287800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.287800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.287800 (E_RNA)
where:
Base-Base interactions energy: -784.653
where: short stacking energy: -338.351
Base-Backbone interact. energy: -1.107
local terms energy: -350.527637
where:
bonds (distance) C4'-P energy: -64.821
bonds (distance) P-C4' energy: -89.012
flat angles C4'-P-C4' energy: -78.863
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -71.010
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: 115
Temperature: 1.350000
Total energy: -861.847275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.847275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.847275 (E_RNA)
where:
Base-Base interactions energy: -557.048
where: short stacking energy: -259.488
Base-Backbone interact. energy: 1.839
local terms energy: -306.638199
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -78.868
flat angles P-C4'-P energy: -51.006
tors. eta vs tors. theta energy: -35.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1810.289922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.289922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.289922 (E_RNA)
where:
Base-Base interactions energy: -1266.416
where: short stacking energy: -520.768
Base-Backbone interact. energy: 0.007
local terms energy: -543.881322
where:
bonds (distance) C4'-P energy: -105.493
bonds (distance) P-C4' energy: -104.221
flat angles C4'-P-C4' energy: -106.875
flat angles P-C4'-P energy: -77.243
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: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1738.524508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.524508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.524508 (E_RNA)
where:
Base-Base interactions energy: -1228.496
where: short stacking energy: -518.514
Base-Backbone interact. energy: 1.974
local terms energy: -512.001957
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -94.276
flat angles C4'-P-C4' energy: -102.749
flat angles P-C4'-P energy: -77.036
tors. eta vs tors. theta energy: -142.900
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1714.361517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.361517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.361517 (E_RNA)
where:
Base-Base interactions energy: -1205.341
where: short stacking energy: -484.430
Base-Backbone interact. energy: 0.646
local terms energy: -509.666139
where:
bonds (distance) C4'-P energy: -92.314
bonds (distance) P-C4' energy: -98.223
flat angles C4'-P-C4' energy: -109.369
flat angles P-C4'-P energy: -68.297
tors. eta vs tors. theta energy: -141.463
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: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1685.139203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.139203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.139203 (E_RNA)
where:
Base-Base interactions energy: -1194.442
where: short stacking energy: -512.018
Base-Backbone interact. energy: -2.338
local terms energy: -488.358795
where:
bonds (distance) C4'-P energy: -80.231
bonds (distance) P-C4' energy: -79.646
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -74.757
tors. eta vs tors. theta energy: -149.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1627.679176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.679176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.679176 (E_RNA)
where:
Base-Base interactions energy: -1153.954
where: short stacking energy: -498.212
Base-Backbone interact. energy: 0.316
local terms energy: -474.041456
where:
bonds (distance) C4'-P energy: -75.179
bonds (distance) P-C4' energy: -93.152
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -137.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1517.438810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.438810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.438810 (E_RNA)
where:
Base-Base interactions energy: -1060.851
where: short stacking energy: -472.268
Base-Backbone interact. energy: -2.288
local terms energy: -454.299712
where:
bonds (distance) C4'-P energy: -83.332
bonds (distance) P-C4' energy: -77.042
flat angles C4'-P-C4' energy: -96.131
flat angles P-C4'-P energy: -67.326
tors. eta vs tors. theta energy: -130.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1482.318260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.318260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.318260 (E_RNA)
where:
Base-Base interactions energy: -1033.568
where: short stacking energy: -448.440
Base-Backbone interact. energy: -0.293
local terms energy: -448.456853
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -85.445
flat angles C4'-P-C4' energy: -99.565
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -129.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1268.476422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.476422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.476422 (E_RNA)
where:
Base-Base interactions energy: -855.047
where: short stacking energy: -381.887
Base-Backbone interact. energy: -0.163
local terms energy: -413.265699
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -88.825
flat angles P-C4'-P energy: -53.972
tors. eta vs tors. theta energy: -101.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1065.372247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.372247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.372247 (E_RNA)
where:
Base-Base interactions energy: -717.437
where: short stacking energy: -306.883
Base-Backbone interact. energy: 0.364
local terms energy: -348.299707
where:
bonds (distance) C4'-P energy: -74.032
bonds (distance) P-C4' energy: -79.291
flat angles C4'-P-C4' energy: -90.394
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -61.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -865.407155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.407155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.407155 (E_RNA)
where:
Base-Base interactions energy: -548.153
where: short stacking energy: -256.696
Base-Backbone interact. energy: -1.873
local terms energy: -315.380915
where:
bonds (distance) C4'-P energy: -75.403
bonds (distance) P-C4' energy: -68.214
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -65.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1833.720653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.720653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.720653 (E_RNA)
where:
Base-Base interactions energy: -1271.650
where: short stacking energy: -559.359
Base-Backbone interact. energy: -1.646
local terms energy: -560.424697
where:
bonds (distance) C4'-P energy: -96.895
bonds (distance) P-C4' energy: -107.161
flat angles C4'-P-C4' energy: -113.096
flat angles P-C4'-P energy: -81.148
tors. eta vs tors. theta energy: -162.124
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: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1748.843974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.843974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.843974 (E_RNA)
where:
Base-Base interactions energy: -1235.971
where: short stacking energy: -501.904
Base-Backbone interact. energy: -3.869
local terms energy: -509.003641
where:
bonds (distance) C4'-P energy: -94.478
bonds (distance) P-C4' energy: -94.887
flat angles C4'-P-C4' energy: -111.560
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -135.674
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: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1740.898680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.898680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.898680 (E_RNA)
where:
Base-Base interactions energy: -1234.236
where: short stacking energy: -520.406
Base-Backbone interact. energy: -2.203
local terms energy: -504.459625
where:
bonds (distance) C4'-P energy: -90.294
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -99.463
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -146.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1684.144776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.144776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.144776 (E_RNA)
where:
Base-Base interactions energy: -1165.825
where: short stacking energy: -494.179
Base-Backbone interact. energy: 0.558
local terms energy: -518.877381
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -83.520
flat angles C4'-P-C4' energy: -108.294
flat angles P-C4'-P energy: -70.944
tors. eta vs tors. theta energy: -154.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1644.298874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.298874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.298874 (E_RNA)
where:
Base-Base interactions energy: -1143.752
where: short stacking energy: -467.886
Base-Backbone interact. energy: -0.765
local terms energy: -499.781888
where:
bonds (distance) C4'-P energy: -92.126
bonds (distance) P-C4' energy: -100.926
flat angles C4'-P-C4' energy: -99.981
flat angles P-C4'-P energy: -76.092
tors. eta vs tors. theta energy: -130.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1521.705768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.705768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.705768 (E_RNA)
where:
Base-Base interactions energy: -1027.373
where: short stacking energy: -423.966
Base-Backbone interact. energy: -3.816
local terms energy: -490.517193
where:
bonds (distance) C4'-P energy: -101.661
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -103.742
flat angles P-C4'-P energy: -72.759
tors. eta vs tors. theta energy: -121.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1468.779652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.779652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.779652 (E_RNA)
where:
Base-Base interactions energy: -1045.138
where: short stacking energy: -444.536
Base-Backbone interact. energy: -2.306
local terms energy: -421.335352
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -98.802
flat angles P-C4'-P energy: -61.663
tors. eta vs tors. theta energy: -119.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1231.197991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.197991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.197991 (E_RNA)
where:
Base-Base interactions energy: -836.019
where: short stacking energy: -365.913
Base-Backbone interact. energy: 1.906
local terms energy: -397.085567
where:
bonds (distance) C4'-P energy: -78.548
bonds (distance) P-C4' energy: -82.189
flat angles C4'-P-C4' energy: -89.366
flat angles P-C4'-P energy: -55.164
tors. eta vs tors. theta energy: -91.818
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: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1133.585897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.585897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.585897 (E_RNA)
where:
Base-Base interactions energy: -752.909
where: short stacking energy: -330.748
Base-Backbone interact. energy: -1.477
local terms energy: -379.199651
where:
bonds (distance) C4'-P energy: -84.129
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -90.168
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -63.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -855.593387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.593387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.593387 (E_RNA)
where:
Base-Base interactions energy: -529.415
where: short stacking energy: -222.756
Base-Backbone interact. energy: 4.943
local terms energy: -331.122003
where:
bonds (distance) C4'-P energy: -89.831
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -78.220
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1826.885907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.885907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.885907 (E_RNA)
where:
Base-Base interactions energy: -1267.325
where: short stacking energy: -559.919
Base-Backbone interact. energy: -2.192
local terms energy: -557.369142
where:
bonds (distance) C4'-P energy: -92.771
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -120.254
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -161.159
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1749.538686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.538686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.538686 (E_RNA)
where:
Base-Base interactions energy: -1227.097
where: short stacking energy: -494.568
Base-Backbone interact. energy: -4.761
local terms energy: -517.681157
where:
bonds (distance) C4'-P energy: -93.226
bonds (distance) P-C4' energy: -104.947
flat angles C4'-P-C4' energy: -110.498
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -136.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1730.132250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.132250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.132250 (E_RNA)
where:
Base-Base interactions energy: -1213.803
where: short stacking energy: -502.907
Base-Backbone interact. energy: -1.769
local terms energy: -514.560403
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -99.823
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -65.411
tors. eta vs tors. theta energy: -148.260
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: 118
Temperature: 1.050000
Total energy: -1693.368277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.368277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.368277 (E_RNA)
where:
Base-Base interactions energy: -1187.080
where: short stacking energy: -491.523
Base-Backbone interact. energy: 2.314
local terms energy: -508.602349
where:
bonds (distance) C4'-P energy: -95.663
bonds (distance) P-C4' energy: -92.705
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -66.201
tors. eta vs tors. theta energy: -152.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1579.063861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.063861 (E_RNA)
where:
Base-Base interactions energy: -1150.379
where: short stacking energy: -477.835
Base-Backbone interact. energy: -0.538
local terms energy: -428.146217
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -97.587
flat angles P-C4'-P energy: -57.140
tors. eta vs tors. theta energy: -122.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1528.777658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.777658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.777658 (E_RNA)
where:
Base-Base interactions energy: -1077.824
where: short stacking energy: -463.033
Base-Backbone interact. energy: -1.995
local terms energy: -448.958337
where:
bonds (distance) C4'-P energy: -80.052
bonds (distance) P-C4' energy: -83.739
flat angles C4'-P-C4' energy: -95.285
flat angles P-C4'-P energy: -61.541
tors. eta vs tors. theta energy: -128.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1444.131708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.131708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.131708 (E_RNA)
where:
Base-Base interactions energy: -1003.495
where: short stacking energy: -431.403
Base-Backbone interact. energy: -0.319
local terms energy: -440.318234
where:
bonds (distance) C4'-P energy: -77.697
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -94.981
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -120.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1251.440752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.440752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.440752 (E_RNA)
where:
Base-Base interactions energy: -865.977
where: short stacking energy: -366.625
Base-Backbone interact. energy: 8.176
local terms energy: -393.639244
where:
bonds (distance) C4'-P energy: -71.229
bonds (distance) P-C4' energy: -72.349
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -67.581
tors. eta vs tors. theta energy: -87.492
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: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1061.327442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.327442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.327442 (E_RNA)
where:
Base-Base interactions energy: -711.141
where: short stacking energy: -308.682
Base-Backbone interact. energy: -2.401
local terms energy: -347.784821
where:
bonds (distance) C4'-P energy: -66.198
bonds (distance) P-C4' energy: -83.390
flat angles C4'-P-C4' energy: -87.862
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -67.273
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: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -832.779844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.779844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.779844 (E_RNA)
where:
Base-Base interactions energy: -495.436
where: short stacking energy: -235.543
Base-Backbone interact. energy: -2.037
local terms energy: -335.307133
where:
bonds (distance) C4'-P energy: -76.990
bonds (distance) P-C4' energy: -81.029
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -59.421
tors. eta vs tors. theta energy: -48.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1832.899254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.899254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.899254 (E_RNA)
where:
Base-Base interactions energy: -1285.170
where: short stacking energy: -517.357
Base-Backbone interact. energy: 0.101
local terms energy: -547.829421
where:
bonds (distance) C4'-P energy: -102.677
bonds (distance) P-C4' energy: -101.187
flat angles C4'-P-C4' energy: -115.713
flat angles P-C4'-P energy: -74.572
tors. eta vs tors. theta energy: -153.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1752.283899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.283899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.283899 (E_RNA)
where:
Base-Base interactions energy: -1244.211
where: short stacking energy: -506.751
Base-Backbone interact. energy: -3.474
local terms energy: -504.599057
where:
bonds (distance) C4'-P energy: -88.093
bonds (distance) P-C4' energy: -87.608
flat angles C4'-P-C4' energy: -110.422
flat angles P-C4'-P energy: -77.856
tors. eta vs tors. theta energy: -140.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1733.645877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.645877 (E_RNA)
where:
Base-Base interactions energy: -1223.002
where: short stacking energy: -479.424
Base-Backbone interact. energy: -5.550
local terms energy: -505.093825
where:
bonds (distance) C4'-P energy: -92.180
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -104.696
flat angles P-C4'-P energy: -74.050
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: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1684.763111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.763111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.763111 (E_RNA)
where:
Base-Base interactions energy: -1181.170
where: short stacking energy: -500.089
Base-Backbone interact. energy: -1.140
local terms energy: -502.453323
where:
bonds (distance) C4'-P energy: -83.819
bonds (distance) P-C4' energy: -85.911
flat angles C4'-P-C4' energy: -112.985
flat angles P-C4'-P energy: -76.923
tors. eta vs tors. theta energy: -142.816
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: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1579.767787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.767787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.767787 (E_RNA)
where:
Base-Base interactions energy: -1096.730
where: short stacking energy: -464.111
Base-Backbone interact. energy: 0.857
local terms energy: -483.894911
where:
bonds (distance) C4'-P energy: -80.703
bonds (distance) P-C4' energy: -84.477
flat angles C4'-P-C4' energy: -109.333
flat angles P-C4'-P energy: -74.015
tors. eta vs tors. theta energy: -135.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1563.865522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.865522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.865522 (E_RNA)
where:
Base-Base interactions energy: -1091.900
where: short stacking energy: -438.872
Base-Backbone interact. energy: 1.202
local terms energy: -473.167329
where:
bonds (distance) C4'-P energy: -90.669
bonds (distance) P-C4' energy: -91.557
flat angles C4'-P-C4' energy: -96.169
flat angles P-C4'-P energy: -62.853
tors. eta vs tors. theta energy: -131.919
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1467.093009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.093009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.093009 (E_RNA)
where:
Base-Base interactions energy: -1007.673
where: short stacking energy: -433.888
Base-Backbone interact. energy: -0.616
local terms energy: -458.804614
where:
bonds (distance) C4'-P energy: -76.395
bonds (distance) P-C4' energy: -92.396
flat angles C4'-P-C4' energy: -100.896
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -124.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1224.515167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.515167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.515167 (E_RNA)
where:
Base-Base interactions energy: -848.569
where: short stacking energy: -351.673
Base-Backbone interact. energy: 0.090
local terms energy: -376.036407
where:
bonds (distance) C4'-P energy: -57.677
bonds (distance) P-C4' energy: -86.338
flat angles C4'-P-C4' energy: -82.869
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -87.661
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1138.890642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.890642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.890642 (E_RNA)
where:
Base-Base interactions energy: -768.952
where: short stacking energy: -325.807
Base-Backbone interact. energy: -3.378
local terms energy: -366.560318
where:
bonds (distance) C4'-P energy: -76.741
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -74.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -753.588916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.588916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.588916 (E_RNA)
where:
Base-Base interactions energy: -452.123
where: short stacking energy: -204.987
Base-Backbone interact. energy: 0.287
local terms energy: -301.753121
where:
bonds (distance) C4'-P energy: -81.191
bonds (distance) P-C4' energy: -82.204
flat angles C4'-P-C4' energy: -80.717
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1835.282221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.282221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.282221 (E_RNA)
where:
Base-Base interactions energy: -1281.967
where: short stacking energy: -506.452
Base-Backbone interact. energy: -2.171
local terms energy: -551.144033
where:
bonds (distance) C4'-P energy: -100.318
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -114.597
flat angles P-C4'-P energy: -70.752
tors. eta vs tors. theta energy: -155.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1742.436165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.436165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.436165 (E_RNA)
where:
Base-Base interactions energy: -1219.098
where: short stacking energy: -495.676
Base-Backbone interact. energy: -3.093
local terms energy: -520.245319
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -100.188
flat angles C4'-P-C4' energy: -107.196
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -143.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1741.063900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.063900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.063900 (E_RNA)
where:
Base-Base interactions energy: -1238.283
where: short stacking energy: -478.368
Base-Backbone interact. energy: -4.927
local terms energy: -497.854016
where:
bonds (distance) C4'-P energy: -96.385
bonds (distance) P-C4' energy: -92.837
flat angles C4'-P-C4' energy: -104.404
flat angles P-C4'-P energy: -73.474
tors. eta vs tors. theta energy: -130.755
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: 120
Temperature: 1.050000
Total energy: -1692.980800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.980800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.980800 (E_RNA)
where:
Base-Base interactions energy: -1195.221
where: short stacking energy: -503.614
Base-Backbone interact. energy: -1.350
local terms energy: -496.409388
where:
bonds (distance) C4'-P energy: -83.243
bonds (distance) P-C4' energy: -87.931
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -77.281
tors. eta vs tors. theta energy: -139.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1593.861205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.861205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.861205 (E_RNA)
where:
Base-Base interactions energy: -1101.704
where: short stacking energy: -466.832
Base-Backbone interact. energy: 2.344
local terms energy: -494.501221
where:
bonds (distance) C4'-P energy: -95.333
bonds (distance) P-C4' energy: -83.609
flat angles C4'-P-C4' energy: -102.461
flat angles P-C4'-P energy: -74.947
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: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1568.498318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.498318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.498318 (E_RNA)
where:
Base-Base interactions energy: -1106.249
where: short stacking energy: -465.219
Base-Backbone interact. energy: -1.238
local terms energy: -461.010605
where:
bonds (distance) C4'-P energy: -75.538
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -105.315
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -130.219
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: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1410.812766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.812766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.812766 (E_RNA)
where:
Base-Base interactions energy: -992.031
where: short stacking energy: -418.354
Base-Backbone interact. energy: 3.872
local terms energy: -422.653071
where:
bonds (distance) C4'-P energy: -82.100
bonds (distance) P-C4' energy: -89.916
flat angles C4'-P-C4' energy: -85.671
flat angles P-C4'-P energy: -60.404
tors. eta vs tors. theta energy: -104.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1255.202123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.202123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.202123 (E_RNA)
where:
Base-Base interactions energy: -847.537
where: short stacking energy: -348.096
Base-Backbone interact. energy: -0.892
local terms energy: -406.773194
where:
bonds (distance) C4'-P energy: -82.419
bonds (distance) P-C4' energy: -86.856
flat angles C4'-P-C4' energy: -88.435
flat angles P-C4'-P energy: -69.690
tors. eta vs tors. theta energy: -79.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1127.722461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.722461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.722461 (E_RNA)
where:
Base-Base interactions energy: -769.633
where: short stacking energy: -315.464
Base-Backbone interact. energy: -4.627
local terms energy: -353.463041
where:
bonds (distance) C4'-P energy: -71.172
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -82.988
flat angles P-C4'-P energy: -63.316
tors. eta vs tors. theta energy: -66.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -772.218876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.218876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.218876 (E_RNA)
where:
Base-Base interactions energy: -480.879
where: short stacking energy: -249.925
Base-Backbone interact. energy: -1.357
local terms energy: -289.983080
where:
bonds (distance) C4'-P energy: -68.799
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -67.767
flat angles P-C4'-P energy: -51.142
tors. eta vs tors. theta energy: -38.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1841.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.151906 (E_RNA)
where:
Base-Base interactions energy: -1282.032
where: short stacking energy: -536.822
Base-Backbone interact. energy: -0.681
local terms energy: -558.438403
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -100.935
flat angles C4'-P-C4' energy: -114.671
flat angles P-C4'-P energy: -88.248
tors. eta vs tors. theta energy: -162.658
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1803.559944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.559944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.559944 (E_RNA)
where:
Base-Base interactions energy: -1269.248
where: short stacking energy: -488.329
Base-Backbone interact. energy: -4.873
local terms energy: -529.438717
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -101.395
flat angles C4'-P-C4' energy: -113.016
flat angles P-C4'-P energy: -81.332
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: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1713.547273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.547273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.547273 (E_RNA)
where:
Base-Base interactions energy: -1223.047
where: short stacking energy: -508.841
Base-Backbone interact. energy: -0.168
local terms energy: -490.332611
where:
bonds (distance) C4'-P energy: -94.246
bonds (distance) P-C4' energy: -81.664
flat angles C4'-P-C4' energy: -104.855
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -145.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1644.099053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.099053 (E_RNA)
where:
Base-Base interactions energy: -1147.722
where: short stacking energy: -502.707
Base-Backbone interact. energy: -0.878
local terms energy: -495.499256
where:
bonds (distance) C4'-P energy: -87.308
bonds (distance) P-C4' energy: -102.556
flat angles C4'-P-C4' energy: -111.465
flat angles P-C4'-P energy: -59.263
tors. eta vs tors. theta energy: -134.907
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1630.162397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.162397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.162397 (E_RNA)
where:
Base-Base interactions energy: -1147.422
where: short stacking energy: -483.034
Base-Backbone interact. energy: -1.123
local terms energy: -481.616560
where:
bonds (distance) C4'-P energy: -92.925
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -105.223
flat angles P-C4'-P energy: -61.021
tors. eta vs tors. theta energy: -132.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1546.910926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.910926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.910926 (E_RNA)
where:
Base-Base interactions energy: -1071.408
where: short stacking energy: -455.944
Base-Backbone interact. energy: -0.493
local terms energy: -475.010685
where:
bonds (distance) C4'-P energy: -93.079
bonds (distance) P-C4' energy: -77.726
flat angles C4'-P-C4' energy: -106.540
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -124.876
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: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1447.668033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.668033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.668033 (E_RNA)
where:
Base-Base interactions energy: -1004.943
where: short stacking energy: -423.723
Base-Backbone interact. energy: -1.567
local terms energy: -441.158158
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -81.628
flat angles C4'-P-C4' energy: -101.196
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: -119.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1162.201221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.201221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.201221 (E_RNA)
where:
Base-Base interactions energy: -773.247
where: short stacking energy: -328.520
Base-Backbone interact. energy: -1.576
local terms energy: -387.378081
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -81.374
flat angles C4'-P-C4' energy: -90.438
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -72.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1190.930420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.930420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.930420 (E_RNA)
where:
Base-Base interactions energy: -831.354
where: short stacking energy: -343.085
Base-Backbone interact. energy: -1.026
local terms energy: -358.550540
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -65.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -686.408875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.408875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.408875 (E_RNA)
where:
Base-Base interactions energy: -388.557
where: short stacking energy: -177.440
Base-Backbone interact. energy: 4.477
local terms energy: -302.328768
where:
bonds (distance) C4'-P energy: -80.565
bonds (distance) P-C4' energy: -80.575
flat angles C4'-P-C4' energy: -82.391
flat angles P-C4'-P energy: -50.189
tors. eta vs tors. theta energy: -8.608
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: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1859.868162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.868162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.868162 (E_RNA)
where:
Base-Base interactions energy: -1305.741
where: short stacking energy: -549.775
Base-Backbone interact. energy: -2.728
local terms energy: -551.398970
where:
bonds (distance) C4'-P energy: -91.697
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -118.090
flat angles P-C4'-P energy: -85.756
tors. eta vs tors. theta energy: -160.251
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: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1807.944623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.944623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.944623 (E_RNA)
where:
Base-Base interactions energy: -1293.514
where: short stacking energy: -519.207
Base-Backbone interact. energy: -1.392
local terms energy: -513.038541
where:
bonds (distance) C4'-P energy: -92.522
bonds (distance) P-C4' energy: -88.755
flat angles C4'-P-C4' energy: -114.556
flat angles P-C4'-P energy: -71.238
tors. eta vs tors. theta energy: -145.968
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: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1738.187973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.187973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.187973 (E_RNA)
where:
Base-Base interactions energy: -1248.954
where: short stacking energy: -517.039
Base-Backbone interact. energy: 0.521
local terms energy: -489.754115
where:
bonds (distance) C4'-P energy: -83.068
bonds (distance) P-C4' energy: -85.184
flat angles C4'-P-C4' energy: -104.442
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -151.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1650.223645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.223645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.223645 (E_RNA)
where:
Base-Base interactions energy: -1148.840
where: short stacking energy: -477.298
Base-Backbone interact. energy: -3.116
local terms energy: -498.267483
where:
bonds (distance) C4'-P energy: -93.885
bonds (distance) P-C4' energy: -91.954
flat angles C4'-P-C4' energy: -102.794
flat angles P-C4'-P energy: -68.916
tors. eta vs tors. theta energy: -140.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1592.167718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.167718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.167718 (E_RNA)
where:
Base-Base interactions energy: -1127.992
where: short stacking energy: -457.350
Base-Backbone interact. energy: -0.937
local terms energy: -463.238613
where:
bonds (distance) C4'-P energy: -78.442
bonds (distance) P-C4' energy: -100.489
flat angles C4'-P-C4' energy: -86.999
flat angles P-C4'-P energy: -59.612
tors. eta vs tors. theta energy: -137.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1543.494772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.494772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.494772 (E_RNA)
where:
Base-Base interactions energy: -1073.422
where: short stacking energy: -441.189
Base-Backbone interact. energy: -0.188
local terms energy: -469.884796
where:
bonds (distance) C4'-P energy: -74.656
bonds (distance) P-C4' energy: -89.169
flat angles C4'-P-C4' energy: -103.381
flat angles P-C4'-P energy: -75.811
tors. eta vs tors. theta energy: -126.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1431.829529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.829529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.829529 (E_RNA)
where:
Base-Base interactions energy: -996.068
where: short stacking energy: -399.722
Base-Backbone interact. energy: -1.807
local terms energy: -433.953879
where:
bonds (distance) C4'-P energy: -64.520
bonds (distance) P-C4' energy: -89.347
flat angles C4'-P-C4' energy: -94.729
flat angles P-C4'-P energy: -65.265
tors. eta vs tors. theta energy: -120.094
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: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1221.946422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.946422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.946422 (E_RNA)
where:
Base-Base interactions energy: -828.644
where: short stacking energy: -341.528
Base-Backbone interact. energy: -1.956
local terms energy: -391.345899
where:
bonds (distance) C4'-P energy: -100.880
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -97.243
flat angles P-C4'-P energy: -40.146
tors. eta vs tors. theta energy: -82.348
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: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1202.799453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.799453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.799453 (E_RNA)
where:
Base-Base interactions energy: -817.862
where: short stacking energy: -353.934
Base-Backbone interact. energy: 1.993
local terms energy: -386.930779
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -88.158
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -98.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -668.787839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.787839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.787839 (E_RNA)
where:
Base-Base interactions energy: -376.643
where: short stacking energy: -179.840
Base-Backbone interact. energy: -1.538
local terms energy: -290.607441
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -72.107
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -11.642
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: 123
Temperature: 0.900000
Total energy: -1823.018910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.018910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.018910 (E_RNA)
where:
Base-Base interactions energy: -1286.304
where: short stacking energy: -542.410
Base-Backbone interact. energy: -3.260
local terms energy: -533.454752
where:
bonds (distance) C4'-P energy: -94.400
bonds (distance) P-C4' energy: -91.659
flat angles C4'-P-C4' energy: -113.469
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -157.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1788.125511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.125511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.125511 (E_RNA)
where:
Base-Base interactions energy: -1262.724
where: short stacking energy: -518.373
Base-Backbone interact. energy: -0.750
local terms energy: -524.651988
where:
bonds (distance) C4'-P energy: -99.081
bonds (distance) P-C4' energy: -100.691
flat angles C4'-P-C4' energy: -107.103
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -142.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1736.631852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.631852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.631852 (E_RNA)
where:
Base-Base interactions energy: -1227.429
where: short stacking energy: -520.615
Base-Backbone interact. energy: -2.270
local terms energy: -506.932835
where:
bonds (distance) C4'-P energy: -85.273
bonds (distance) P-C4' energy: -83.073
flat angles C4'-P-C4' energy: -113.459
flat angles P-C4'-P energy: -77.485
tors. eta vs tors. theta energy: -147.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1677.229997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.229997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.229997 (E_RNA)
where:
Base-Base interactions energy: -1156.872
where: short stacking energy: -492.193
Base-Backbone interact. energy: -5.390
local terms energy: -514.967570
where:
bonds (distance) C4'-P energy: -84.442
bonds (distance) P-C4' energy: -98.257
flat angles C4'-P-C4' energy: -110.336
flat angles P-C4'-P energy: -78.107
tors. eta vs tors. theta energy: -143.825
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1630.396032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.396032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.396032 (E_RNA)
where:
Base-Base interactions energy: -1145.182
where: short stacking energy: -478.349
Base-Backbone interact. energy: 0.283
local terms energy: -485.496900
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -86.849
flat angles C4'-P-C4' energy: -103.356
flat angles P-C4'-P energy: -68.580
tors. eta vs tors. theta energy: -139.261
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1511.023032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.023032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.023032 (E_RNA)
where:
Base-Base interactions energy: -1067.934
where: short stacking energy: -427.926
Base-Backbone interact. energy: 1.523
local terms energy: -444.612064
where:
bonds (distance) C4'-P energy: -94.071
bonds (distance) P-C4' energy: -69.239
flat angles C4'-P-C4' energy: -94.395
flat angles P-C4'-P energy: -75.324
tors. eta vs tors. theta energy: -111.584
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1442.841650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.841650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.841650 (E_RNA)
where:
Base-Base interactions energy: -1021.197
where: short stacking energy: -417.525
Base-Backbone interact. energy: -0.852
local terms energy: -420.792108
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -85.324
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -63.036
tors. eta vs tors. theta energy: -110.459
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: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1268.820693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.820693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.820693 (E_RNA)
where:
Base-Base interactions energy: -874.558
where: short stacking energy: -374.140
Base-Backbone interact. energy: 0.847
local terms energy: -395.109290
where:
bonds (distance) C4'-P energy: -79.000
bonds (distance) P-C4' energy: -87.052
flat angles C4'-P-C4' energy: -101.715
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -91.585
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: 123
Temperature: 1.300000
Total energy: -1130.095151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.095151 (E_RNA)
where:
Base-Base interactions energy: -761.621
where: short stacking energy: -333.742
Base-Backbone interact. energy: -3.874
local terms energy: -364.600517
where:
bonds (distance) C4'-P energy: -68.337
bonds (distance) P-C4' energy: -100.072
flat angles C4'-P-C4' energy: -73.176
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -78.425
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -695.259062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.259062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.259062 (E_RNA)
where:
Base-Base interactions energy: -407.092
where: short stacking energy: -199.443
Base-Backbone interact. energy: 0.929
local terms energy: -289.096624
where:
bonds (distance) C4'-P energy: -74.328
bonds (distance) P-C4' energy: -82.628
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -49.280
tors. eta vs tors. theta energy: -9.748
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: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1833.247870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.247870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.247870 (E_RNA)
where:
Base-Base interactions energy: -1278.730
where: short stacking energy: -533.324
Base-Backbone interact. energy: -0.624
local terms energy: -553.894123
where:
bonds (distance) C4'-P energy: -100.867
bonds (distance) P-C4' energy: -95.244
flat angles C4'-P-C4' energy: -112.314
flat angles P-C4'-P energy: -83.282
tors. eta vs tors. theta energy: -162.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1800.549078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.549078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.549078 (E_RNA)
where:
Base-Base interactions energy: -1288.191
where: short stacking energy: -515.882
Base-Backbone interact. energy: -1.660
local terms energy: -510.697318
where:
bonds (distance) C4'-P energy: -88.805
bonds (distance) P-C4' energy: -75.780
flat angles C4'-P-C4' energy: -112.645
flat angles P-C4'-P energy: -83.275
tors. eta vs tors. theta energy: -150.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1730.151527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.151527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.151527 (E_RNA)
where:
Base-Base interactions energy: -1203.518
where: short stacking energy: -488.117
Base-Backbone interact. energy: -3.236
local terms energy: -523.397914
where:
bonds (distance) C4'-P energy: -87.499
bonds (distance) P-C4' energy: -98.742
flat angles C4'-P-C4' energy: -112.840
flat angles P-C4'-P energy: -85.167
tors. eta vs tors. theta energy: -139.150
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: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1634.104921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.104921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.104921 (E_RNA)
where:
Base-Base interactions energy: -1139.566
where: short stacking energy: -490.219
Base-Backbone interact. energy: -2.713
local terms energy: -491.825296
where:
bonds (distance) C4'-P energy: -94.200
bonds (distance) P-C4' energy: -95.415
flat angles C4'-P-C4' energy: -102.242
flat angles P-C4'-P energy: -64.505
tors. eta vs tors. theta energy: -135.463
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: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1623.499949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.499949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.499949 (E_RNA)
where:
Base-Base interactions energy: -1125.721
where: short stacking energy: -461.134
Base-Backbone interact. energy: -4.791
local terms energy: -492.987091
where:
bonds (distance) C4'-P energy: -89.596
bonds (distance) P-C4' energy: -100.303
flat angles C4'-P-C4' energy: -96.066
flat angles P-C4'-P energy: -72.933
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1545.207585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.207585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.207585 (E_RNA)
where:
Base-Base interactions energy: -1101.456
where: short stacking energy: -455.308
Base-Backbone interact. energy: -1.882
local terms energy: -441.869478
where:
bonds (distance) C4'-P energy: -80.404
bonds (distance) P-C4' energy: -88.376
flat angles C4'-P-C4' energy: -98.434
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -129.219
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1454.525290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.525290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.525290 (E_RNA)
where:
Base-Base interactions energy: -1025.499
where: short stacking energy: -413.210
Base-Backbone interact. energy: -1.474
local terms energy: -427.552152
where:
bonds (distance) C4'-P energy: -88.710
bonds (distance) P-C4' energy: -78.638
flat angles C4'-P-C4' energy: -88.917
flat angles P-C4'-P energy: -65.352
tors. eta vs tors. theta energy: -105.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1223.454323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.454323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.454323 (E_RNA)
where:
Base-Base interactions energy: -833.311
where: short stacking energy: -359.796
Base-Backbone interact. energy: 2.062
local terms energy: -392.205332
where:
bonds (distance) C4'-P energy: -90.514
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -84.152
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -80.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1174.994114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.994114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.994114 (E_RNA)
where:
Base-Base interactions energy: -780.401
where: short stacking energy: -355.207
Base-Backbone interact. energy: -3.088
local terms energy: -391.505232
where:
bonds (distance) C4'-P energy: -91.249
bonds (distance) P-C4' energy: -94.033
flat angles C4'-P-C4' energy: -86.808
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -63.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -737.068633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.068633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.068633 (E_RNA)
where:
Base-Base interactions energy: -439.622
where: short stacking energy: -204.792
Base-Backbone interact. energy: -0.736
local terms energy: -296.710557
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -84.613
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -40.368
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: 125
Temperature: 0.900000
Total energy: -1831.594490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.594490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.594490 (E_RNA)
where:
Base-Base interactions energy: -1285.294
where: short stacking energy: -548.419
Base-Backbone interact. energy: -0.714
local terms energy: -545.586314
where:
bonds (distance) C4'-P energy: -103.142
bonds (distance) P-C4' energy: -103.548
flat angles C4'-P-C4' energy: -108.930
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -157.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1817.080098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.080098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.080098 (E_RNA)
where:
Base-Base interactions energy: -1292.336
where: short stacking energy: -532.863
Base-Backbone interact. energy: -3.832
local terms energy: -520.911907
where:
bonds (distance) C4'-P energy: -90.603
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -107.452
flat angles P-C4'-P energy: -78.480
tors. eta vs tors. theta energy: -154.736
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1703.055437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.055437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.055437 (E_RNA)
where:
Base-Base interactions energy: -1195.248
where: short stacking energy: -486.689
Base-Backbone interact. energy: 1.947
local terms energy: -509.755062
where:
bonds (distance) C4'-P energy: -108.393
bonds (distance) P-C4' energy: -85.292
flat angles C4'-P-C4' energy: -107.685
flat angles P-C4'-P energy: -72.386
tors. eta vs tors. theta energy: -136.000
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: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1674.964467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.964467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.964467 (E_RNA)
where:
Base-Base interactions energy: -1192.789
where: short stacking energy: -479.009
Base-Backbone interact. energy: -0.472
local terms energy: -481.703090
where:
bonds (distance) C4'-P energy: -87.666
bonds (distance) P-C4' energy: -89.983
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -62.556
tors. eta vs tors. theta energy: -136.625
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: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1593.511162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.511162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.511162 (E_RNA)
where:
Base-Base interactions energy: -1118.364
where: short stacking energy: -482.186
Base-Backbone interact. energy: -3.843
local terms energy: -471.304051
where:
bonds (distance) C4'-P energy: -83.771
bonds (distance) P-C4' energy: -95.035
flat angles C4'-P-C4' energy: -100.070
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -136.159
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: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1551.081567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.081567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.081567 (E_RNA)
where:
Base-Base interactions energy: -1093.613
where: short stacking energy: -470.188
Base-Backbone interact. energy: -1.762
local terms energy: -455.705985
where:
bonds (distance) C4'-P energy: -77.355
bonds (distance) P-C4' energy: -86.719
flat angles C4'-P-C4' energy: -92.671
flat angles P-C4'-P energy: -66.832
tors. eta vs tors. theta energy: -132.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1468.015547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.015547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.015547 (E_RNA)
where:
Base-Base interactions energy: -1023.681
where: short stacking energy: -422.128
Base-Backbone interact. energy: -1.193
local terms energy: -443.140795
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -91.803
flat angles P-C4'-P energy: -61.888
tors. eta vs tors. theta energy: -119.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1253.148017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.148017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.148017 (E_RNA)
where:
Base-Base interactions energy: -869.661
where: short stacking energy: -354.149
Base-Backbone interact. energy: 0.705
local terms energy: -384.192739
where:
bonds (distance) C4'-P energy: -87.947
bonds (distance) P-C4' energy: -74.041
flat angles C4'-P-C4' energy: -88.521
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -83.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1129.480549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.480549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.480549 (E_RNA)
where:
Base-Base interactions energy: -757.633
where: short stacking energy: -310.265
Base-Backbone interact. energy: 0.568
local terms energy: -372.415741
where:
bonds (distance) C4'-P energy: -72.946
bonds (distance) P-C4' energy: -73.658
flat angles C4'-P-C4' energy: -90.051
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -65.315
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: 125
Temperature: 1.350000
Total energy: -806.155009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.155009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.155009 (E_RNA)
where:
Base-Base interactions energy: -492.923
where: short stacking energy: -240.745
Base-Backbone interact. energy: -1.395
local terms energy: -311.837362
where:
bonds (distance) C4'-P energy: -73.485
bonds (distance) P-C4' energy: -81.049
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -32.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1837.323480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.323480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.323480 (E_RNA)
where:
Base-Base interactions energy: -1273.920
where: short stacking energy: -538.641
Base-Backbone interact. energy: -1.670
local terms energy: -561.733401
where:
bonds (distance) C4'-P energy: -103.715
bonds (distance) P-C4' energy: -106.309
flat angles C4'-P-C4' energy: -108.291
flat angles P-C4'-P energy: -85.811
tors. eta vs tors. theta energy: -157.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1791.076714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.076714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.076714 (E_RNA)
where:
Base-Base interactions energy: -1254.831
where: short stacking energy: -524.974
Base-Backbone interact. energy: -3.420
local terms energy: -532.825540
where:
bonds (distance) C4'-P energy: -81.686
bonds (distance) P-C4' energy: -103.446
flat angles C4'-P-C4' energy: -115.271
flat angles P-C4'-P energy: -80.568
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: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1708.910896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.910896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.910896 (E_RNA)
where:
Base-Base interactions energy: -1194.246
where: short stacking energy: -497.432
Base-Backbone interact. energy: -1.104
local terms energy: -513.560749
where:
bonds (distance) C4'-P energy: -93.020
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -99.597
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -149.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1673.633718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.633718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.633718 (E_RNA)
where:
Base-Base interactions energy: -1201.032
where: short stacking energy: -491.619
Base-Backbone interact. energy: -2.306
local terms energy: -470.296245
where:
bonds (distance) C4'-P energy: -85.779
bonds (distance) P-C4' energy: -76.111
flat angles C4'-P-C4' energy: -99.686
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -138.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1588.217117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.217117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.217117 (E_RNA)
where:
Base-Base interactions energy: -1123.597
where: short stacking energy: -485.797
Base-Backbone interact. energy: -0.092
local terms energy: -464.528590
where:
bonds (distance) C4'-P energy: -85.498
bonds (distance) P-C4' energy: -88.582
flat angles C4'-P-C4' energy: -101.892
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -132.536
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: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1538.771751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.771751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.771751 (E_RNA)
where:
Base-Base interactions energy: -1091.638
where: short stacking energy: -447.011
Base-Backbone interact. energy: -0.094
local terms energy: -447.040279
where:
bonds (distance) C4'-P energy: -83.214
bonds (distance) P-C4' energy: -81.798
flat angles C4'-P-C4' energy: -95.229
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -123.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1489.489108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.489108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.489108 (E_RNA)
where:
Base-Base interactions energy: -1047.301
where: short stacking energy: -438.546
Base-Backbone interact. energy: -1.603
local terms energy: -440.585492
where:
bonds (distance) C4'-P energy: -74.995
bonds (distance) P-C4' energy: -82.265
flat angles C4'-P-C4' energy: -92.531
flat angles P-C4'-P energy: -61.945
tors. eta vs tors. theta energy: -128.850
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: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1221.158421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.158421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.158421 (E_RNA)
where:
Base-Base interactions energy: -852.550
where: short stacking energy: -360.879
Base-Backbone interact. energy: -3.657
local terms energy: -364.951261
where:
bonds (distance) C4'-P energy: -59.804
bonds (distance) P-C4' energy: -79.021
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -86.185
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: 126
Temperature: 1.300000
Total energy: -1175.376584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.376584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.376584 (E_RNA)
where:
Base-Base interactions energy: -819.691
where: short stacking energy: -343.304
Base-Backbone interact. energy: 0.658
local terms energy: -356.344280
where:
bonds (distance) C4'-P energy: -76.091
bonds (distance) P-C4' energy: -71.635
flat angles C4'-P-C4' energy: -73.029
flat angles P-C4'-P energy: -61.414
tors. eta vs tors. theta energy: -74.175
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: 126
Temperature: 1.350000
Total energy: -833.413634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.413634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.413634 (E_RNA)
where:
Base-Base interactions energy: -512.772
where: short stacking energy: -233.464
Base-Backbone interact. energy: 2.136
local terms energy: -322.777410
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -86.248
flat angles C4'-P-C4' energy: -85.306
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -40.787
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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1796.524248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.524248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.524248 (E_RNA)
where:
Base-Base interactions energy: -1272.801
where: short stacking energy: -544.055
Base-Backbone interact. energy: 0.505
local terms energy: -524.227470
where:
bonds (distance) C4'-P energy: -93.287
bonds (distance) P-C4' energy: -93.963
flat angles C4'-P-C4' energy: -111.637
flat angles P-C4'-P energy: -74.300
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1804.087192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.087192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.087192 (E_RNA)
where:
Base-Base interactions energy: -1285.106
where: short stacking energy: -550.970
Base-Backbone interact. energy: -2.806
local terms energy: -516.175395
where:
bonds (distance) C4'-P energy: -81.522
bonds (distance) P-C4' energy: -105.254
flat angles C4'-P-C4' energy: -101.756
flat angles P-C4'-P energy: -72.145
tors. eta vs tors. theta energy: -155.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1709.675829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.675829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.675829 (E_RNA)
where:
Base-Base interactions energy: -1194.707
where: short stacking energy: -502.558
Base-Backbone interact. energy: -1.374
local terms energy: -513.594676
where:
bonds (distance) C4'-P energy: -95.312
bonds (distance) P-C4' energy: -97.361
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -142.655
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1709.774447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.774447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.774447 (E_RNA)
where:
Base-Base interactions energy: -1218.921
where: short stacking energy: -503.339
Base-Backbone interact. energy: -0.314
local terms energy: -490.539178
where:
bonds (distance) C4'-P energy: -82.545
bonds (distance) P-C4' energy: -87.416
flat angles C4'-P-C4' energy: -111.662
flat angles P-C4'-P energy: -63.631
tors. eta vs tors. theta energy: -145.286
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1594.115882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.115882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.115882 (E_RNA)
where:
Base-Base interactions energy: -1110.446
where: short stacking energy: -467.964
Base-Backbone interact. energy: -2.231
local terms energy: -481.439508
where:
bonds (distance) C4'-P energy: -84.135
bonds (distance) P-C4' energy: -92.721
flat angles C4'-P-C4' energy: -95.131
flat angles P-C4'-P energy: -74.628
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1539.320346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.320346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.320346 (E_RNA)
where:
Base-Base interactions energy: -1058.523
where: short stacking energy: -461.607
Base-Backbone interact. energy: -1.225
local terms energy: -479.571868
where:
bonds (distance) C4'-P energy: -88.357
bonds (distance) P-C4' energy: -98.321
flat angles C4'-P-C4' energy: -103.298
flat angles P-C4'-P energy: -69.710
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: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1446.778388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.778388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.778388 (E_RNA)
where:
Base-Base interactions energy: -1027.355
where: short stacking energy: -423.483
Base-Backbone interact. energy: -2.183
local terms energy: -417.240486
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -76.508
flat angles C4'-P-C4' energy: -92.560
flat angles P-C4'-P energy: -56.670
tors. eta vs tors. theta energy: -110.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1188.096517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.096517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.096517 (E_RNA)
where:
Base-Base interactions energy: -784.793
where: short stacking energy: -324.020
Base-Backbone interact. energy: -1.404
local terms energy: -401.899049
where:
bonds (distance) C4'-P energy: -76.014
bonds (distance) P-C4' energy: -86.710
flat angles C4'-P-C4' energy: -96.751
flat angles P-C4'-P energy: -51.298
tors. eta vs tors. theta energy: -91.127
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: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1162.814729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.814729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.814729 (E_RNA)
where:
Base-Base interactions energy: -792.646
where: short stacking energy: -345.663
Base-Backbone interact. energy: 1.601
local terms energy: -371.769520
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -91.060
flat angles C4'-P-C4' energy: -79.386
flat angles P-C4'-P energy: -55.010
tors. eta vs tors. theta energy: -68.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -813.037813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.037813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.037813 (E_RNA)
where:
Base-Base interactions energy: -527.091
where: short stacking energy: -231.893
Base-Backbone interact. energy: 0.510
local terms energy: -286.457067
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -74.078
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -27.720
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: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1823.403121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.403121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.403121 (E_RNA)
where:
Base-Base interactions energy: -1280.775
where: short stacking energy: -536.774
Base-Backbone interact. energy: -3.314
local terms energy: -539.314979
where:
bonds (distance) C4'-P energy: -97.022
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -116.365
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -155.464
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1811.655292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.655292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.655292 (E_RNA)
where:
Base-Base interactions energy: -1275.304
where: short stacking energy: -540.903
Base-Backbone interact. energy: -3.434
local terms energy: -532.916611
where:
bonds (distance) C4'-P energy: -93.248
bonds (distance) P-C4' energy: -94.689
flat angles C4'-P-C4' energy: -117.954
flat angles P-C4'-P energy: -77.799
tors. eta vs tors. theta energy: -149.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1724.858550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.858550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.858550 (E_RNA)
where:
Base-Base interactions energy: -1219.384
where: short stacking energy: -512.471
Base-Backbone interact. energy: -0.857
local terms energy: -504.617898
where:
bonds (distance) C4'-P energy: -87.124
bonds (distance) P-C4' energy: -80.823
flat angles C4'-P-C4' energy: -117.153
flat angles P-C4'-P energy: -78.292
tors. eta vs tors. theta energy: -141.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1683.315723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.315723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.315723 (E_RNA)
where:
Base-Base interactions energy: -1183.028
where: short stacking energy: -485.154
Base-Backbone interact. energy: -2.475
local terms energy: -497.812566
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -98.184
flat angles C4'-P-C4' energy: -100.652
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -135.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1604.300528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.300528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.300528 (E_RNA)
where:
Base-Base interactions energy: -1133.252
where: short stacking energy: -466.901
Base-Backbone interact. energy: -1.190
local terms energy: -469.859357
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -102.566
flat angles P-C4'-P energy: -61.851
tors. eta vs tors. theta energy: -136.915
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1471.963915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.963915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.963915 (E_RNA)
where:
Base-Base interactions energy: -1025.809
where: short stacking energy: -411.451
Base-Backbone interact. energy: -1.628
local terms energy: -444.526169
where:
bonds (distance) C4'-P energy: -84.086
bonds (distance) P-C4' energy: -85.125
flat angles C4'-P-C4' energy: -102.474
flat angles P-C4'-P energy: -62.595
tors. eta vs tors. theta energy: -110.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1437.438865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.438865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.438865 (E_RNA)
where:
Base-Base interactions energy: -991.870
where: short stacking energy: -415.937
Base-Backbone interact. energy: 1.045
local terms energy: -446.614012
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -83.707
flat angles C4'-P-C4' energy: -100.368
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -111.443
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: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1139.354723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.354723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.354723 (E_RNA)
where:
Base-Base interactions energy: -762.780
where: short stacking energy: -315.729
Base-Backbone interact. energy: 0.722
local terms energy: -377.296769
where:
bonds (distance) C4'-P energy: -66.800
bonds (distance) P-C4' energy: -79.331
flat angles C4'-P-C4' energy: -83.565
flat angles P-C4'-P energy: -68.570
tors. eta vs tors. theta energy: -79.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1088.504680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.504680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.504680 (E_RNA)
where:
Base-Base interactions energy: -725.095
where: short stacking energy: -304.150
Base-Backbone interact. energy: -2.118
local terms energy: -361.291827
where:
bonds (distance) C4'-P energy: -66.283
bonds (distance) P-C4' energy: -89.539
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -79.958
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: 128
Temperature: 1.350000
Total energy: -854.481125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.481125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.481125 (E_RNA)
where:
Base-Base interactions energy: -534.156
where: short stacking energy: -231.329
Base-Backbone interact. energy: -1.894
local terms energy: -318.431345
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -95.045
flat angles P-C4'-P energy: -46.480
tors. eta vs tors. theta energy: -42.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1816.421187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.421187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.421187 (E_RNA)
where:
Base-Base interactions energy: -1274.800
where: short stacking energy: -541.326
Base-Backbone interact. energy: -1.237
local terms energy: -540.385037
where:
bonds (distance) C4'-P energy: -95.848
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -112.089
flat angles P-C4'-P energy: -80.633
tors. eta vs tors. theta energy: -150.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1808.415563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.415563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.415563 (E_RNA)
where:
Base-Base interactions energy: -1268.919
where: short stacking energy: -536.480
Base-Backbone interact. energy: -2.703
local terms energy: -536.793146
where:
bonds (distance) C4'-P energy: -93.916
bonds (distance) P-C4' energy: -102.940
flat angles C4'-P-C4' energy: -106.594
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -150.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1726.873239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.873239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.873239 (E_RNA)
where:
Base-Base interactions energy: -1192.176
where: short stacking energy: -489.071
Base-Backbone interact. energy: -3.372
local terms energy: -531.324857
where:
bonds (distance) C4'-P energy: -107.203
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -110.426
flat angles P-C4'-P energy: -77.462
tors. eta vs tors. theta energy: -141.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1637.283109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.283109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.283109 (E_RNA)
where:
Base-Base interactions energy: -1135.092
where: short stacking energy: -478.105
Base-Backbone interact. energy: -0.488
local terms energy: -501.703095
where:
bonds (distance) C4'-P energy: -98.054
bonds (distance) P-C4' energy: -90.590
flat angles C4'-P-C4' energy: -99.000
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: -137.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1625.933530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.933530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.933530 (E_RNA)
where:
Base-Base interactions energy: -1159.733
where: short stacking energy: -488.140
Base-Backbone interact. energy: -2.002
local terms energy: -464.198813
where:
bonds (distance) C4'-P energy: -82.553
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -108.135
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -133.706
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: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1466.838230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.838230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.838230 (E_RNA)
where:
Base-Base interactions energy: -1019.929
where: short stacking energy: -422.624
Base-Backbone interact. energy: -2.968
local terms energy: -443.941419
where:
bonds (distance) C4'-P energy: -79.228
bonds (distance) P-C4' energy: -90.363
flat angles C4'-P-C4' energy: -104.208
flat angles P-C4'-P energy: -56.065
tors. eta vs tors. theta energy: -114.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1457.315523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.315523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.315523 (E_RNA)
where:
Base-Base interactions energy: -1009.627
where: short stacking energy: -415.457
Base-Backbone interact. energy: -1.079
local terms energy: -446.609953
where:
bonds (distance) C4'-P energy: -84.090
bonds (distance) P-C4' energy: -93.048
flat angles C4'-P-C4' energy: -94.416
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -119.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1187.231758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.231758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.231758 (E_RNA)
where:
Base-Base interactions energy: -803.496
where: short stacking energy: -334.666
Base-Backbone interact. energy: -3.076
local terms energy: -380.659736
where:
bonds (distance) C4'-P energy: -78.351
bonds (distance) P-C4' energy: -69.664
flat angles C4'-P-C4' energy: -93.492
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: -85.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1092.700431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.700431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.700431 (E_RNA)
where:
Base-Base interactions energy: -738.610
where: short stacking energy: -318.141
Base-Backbone interact. energy: -4.933
local terms energy: -349.156915
where:
bonds (distance) C4'-P energy: -78.283
bonds (distance) P-C4' energy: -80.829
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -73.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -817.884375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.884375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.884375 (E_RNA)
where:
Base-Base interactions energy: -533.482
where: short stacking energy: -230.853
Base-Backbone interact. energy: -0.517
local terms energy: -283.885965
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -62.110
flat angles C4'-P-C4' energy: -69.775
flat angles P-C4'-P energy: -49.706
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1844.999414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.999414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.999414 (E_RNA)
where:
Base-Base interactions energy: -1300.183
where: short stacking energy: -541.386
Base-Backbone interact. energy: -0.489
local terms energy: -544.327167
where:
bonds (distance) C4'-P energy: -101.373
bonds (distance) P-C4' energy: -102.029
flat angles C4'-P-C4' energy: -112.653
flat angles P-C4'-P energy: -75.199
tors. eta vs tors. theta energy: -153.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1819.982614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.982614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.982614 (E_RNA)
where:
Base-Base interactions energy: -1289.021
where: short stacking energy: -521.412
Base-Backbone interact. energy: -2.449
local terms energy: -528.512682
where:
bonds (distance) C4'-P energy: -94.471
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -111.556
flat angles P-C4'-P energy: -76.728
tors. eta vs tors. theta energy: -142.408
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: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1754.582771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.582771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.582771 (E_RNA)
where:
Base-Base interactions energy: -1232.089
where: short stacking energy: -522.971
Base-Backbone interact. energy: -2.708
local terms energy: -519.785594
where:
bonds (distance) C4'-P energy: -90.248
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -99.434
flat angles P-C4'-P energy: -75.013
tors. eta vs tors. theta energy: -150.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1665.365561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.365561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.365561 (E_RNA)
where:
Base-Base interactions energy: -1161.159
where: short stacking energy: -505.087
Base-Backbone interact. energy: 0.644
local terms energy: -504.850610
where:
bonds (distance) C4'-P energy: -86.386
bonds (distance) P-C4' energy: -81.940
flat angles C4'-P-C4' energy: -110.694
flat angles P-C4'-P energy: -77.213
tors. eta vs tors. theta energy: -148.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1600.806039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.806039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.806039 (E_RNA)
where:
Base-Base interactions energy: -1123.105
where: short stacking energy: -464.611
Base-Backbone interact. energy: -1.239
local terms energy: -476.462390
where:
bonds (distance) C4'-P energy: -86.194
bonds (distance) P-C4' energy: -86.740
flat angles C4'-P-C4' energy: -102.094
flat angles P-C4'-P energy: -64.607
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: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1482.574744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.574744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.574744 (E_RNA)
where:
Base-Base interactions energy: -1039.705
where: short stacking energy: -428.047
Base-Backbone interact. energy: -0.371
local terms energy: -442.498862
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -83.847
flat angles C4'-P-C4' energy: -90.735
flat angles P-C4'-P energy: -61.803
tors. eta vs tors. theta energy: -110.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1497.795214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.795214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.795214 (E_RNA)
where:
Base-Base interactions energy: -1053.869
where: short stacking energy: -449.953
Base-Backbone interact. energy: -2.619
local terms energy: -441.306709
where:
bonds (distance) C4'-P energy: -79.863
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -91.422
flat angles P-C4'-P energy: -55.084
tors. eta vs tors. theta energy: -125.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1121.276130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.276130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.276130 (E_RNA)
where:
Base-Base interactions energy: -748.429
where: short stacking energy: -297.745
Base-Backbone interact. energy: 0.215
local terms energy: -373.062243
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -84.460
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: -71.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1127.053742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.053742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.053742 (E_RNA)
where:
Base-Base interactions energy: -771.896
where: short stacking energy: -305.326
Base-Backbone interact. energy: 0.761
local terms energy: -355.919490
where:
bonds (distance) C4'-P energy: -70.656
bonds (distance) P-C4' energy: -77.763
flat angles C4'-P-C4' energy: -75.799
flat angles P-C4'-P energy: -63.803
tors. eta vs tors. theta energy: -67.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -869.299108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.299108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.299108 (E_RNA)
where:
Base-Base interactions energy: -551.431
where: short stacking energy: -260.427
Base-Backbone interact. energy: 2.804
local terms energy: -320.672574
where:
bonds (distance) C4'-P energy: -71.288
bonds (distance) P-C4' energy: -78.467
flat angles C4'-P-C4' energy: -70.508
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1817.913524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.913524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.913524 (E_RNA)
where:
Base-Base interactions energy: -1286.392
where: short stacking energy: -532.368
Base-Backbone interact. energy: -1.143
local terms energy: -530.378122
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -95.473
flat angles C4'-P-C4' energy: -111.499
flat angles P-C4'-P energy: -71.973
tors. eta vs tors. theta energy: -154.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1803.279842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.279842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.279842 (E_RNA)
where:
Base-Base interactions energy: -1273.466
where: short stacking energy: -504.459
Base-Backbone interact. energy: -1.978
local terms energy: -527.835533
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -111.230
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -147.062
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1741.692160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.692160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.692160 (E_RNA)
where:
Base-Base interactions energy: -1238.673
where: short stacking energy: -526.134
Base-Backbone interact. energy: -2.079
local terms energy: -500.939473
where:
bonds (distance) C4'-P energy: -92.991
bonds (distance) P-C4' energy: -86.235
flat angles C4'-P-C4' energy: -104.575
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -155.153
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1614.538653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.538653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.538653 (E_RNA)
where:
Base-Base interactions energy: -1132.558
where: short stacking energy: -472.092
Base-Backbone interact. energy: -1.818
local terms energy: -480.162709
where:
bonds (distance) C4'-P energy: -99.647
bonds (distance) P-C4' energy: -87.656
flat angles C4'-P-C4' energy: -95.801
flat angles P-C4'-P energy: -62.312
tors. eta vs tors. theta energy: -134.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1609.875394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.875394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.875394 (E_RNA)
where:
Base-Base interactions energy: -1133.532
where: short stacking energy: -480.976
Base-Backbone interact. energy: -0.304
local terms energy: -476.040107
where:
bonds (distance) C4'-P energy: -94.501
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -98.396
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -127.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1533.286030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.286030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.286030 (E_RNA)
where:
Base-Base interactions energy: -1065.115
where: short stacking energy: -466.069
Base-Backbone interact. energy: -2.055
local terms energy: -466.115804
where:
bonds (distance) C4'-P energy: -76.276
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -102.009
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -132.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1444.198102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.198102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.198102 (E_RNA)
where:
Base-Base interactions energy: -1014.176
where: short stacking energy: -435.087
Base-Backbone interact. energy: -2.049
local terms energy: -427.972747
where:
bonds (distance) C4'-P energy: -72.109
bonds (distance) P-C4' energy: -86.430
flat angles C4'-P-C4' energy: -96.013
flat angles P-C4'-P energy: -56.916
tors. eta vs tors. theta energy: -116.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1149.652514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.652514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.652514 (E_RNA)
where:
Base-Base interactions energy: -783.610
where: short stacking energy: -315.477
Base-Backbone interact. energy: -1.684
local terms energy: -364.358599
where:
bonds (distance) C4'-P energy: -82.377
bonds (distance) P-C4' energy: -77.651
flat angles C4'-P-C4' energy: -82.905
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: -73.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1071.753838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.753838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.753838 (E_RNA)
where:
Base-Base interactions energy: -728.671
where: short stacking energy: -321.778
Base-Backbone interact. energy: -1.594
local terms energy: -341.489446
where:
bonds (distance) C4'-P energy: -76.410
bonds (distance) P-C4' energy: -67.651
flat angles C4'-P-C4' energy: -71.695
flat angles P-C4'-P energy: -56.470
tors. eta vs tors. theta energy: -69.264
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: 131
Temperature: 1.350000
Total energy: -890.773871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.773871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.773871 (E_RNA)
where:
Base-Base interactions energy: -591.121
where: short stacking energy: -282.029
Base-Backbone interact. energy: 3.844
local terms energy: -303.496824
where:
bonds (distance) C4'-P energy: -81.111
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -76.056
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -50.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1835.047007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.047007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.047007 (E_RNA)
where:
Base-Base interactions energy: -1308.531
where: short stacking energy: -522.974
Base-Backbone interact. energy: -0.355
local terms energy: -526.160636
where:
bonds (distance) C4'-P energy: -95.400
bonds (distance) P-C4' energy: -96.904
flat angles C4'-P-C4' energy: -111.105
flat angles P-C4'-P energy: -77.923
tors. eta vs tors. theta energy: -144.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1776.799876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.799876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.799876 (E_RNA)
where:
Base-Base interactions energy: -1244.581
where: short stacking energy: -515.777
Base-Backbone interact. energy: 2.317
local terms energy: -534.535878
where:
bonds (distance) C4'-P energy: -104.228
bonds (distance) P-C4' energy: -96.604
flat angles C4'-P-C4' energy: -117.538
flat angles P-C4'-P energy: -69.739
tors. eta vs tors. theta energy: -146.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1739.934496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.934496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.934496 (E_RNA)
where:
Base-Base interactions energy: -1217.277
where: short stacking energy: -527.688
Base-Backbone interact. energy: -1.811
local terms energy: -520.846279
where:
bonds (distance) C4'-P energy: -86.641
bonds (distance) P-C4' energy: -103.887
flat angles C4'-P-C4' energy: -109.213
flat angles P-C4'-P energy: -73.288
tors. eta vs tors. theta energy: -147.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1645.763746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.763746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.763746 (E_RNA)
where:
Base-Base interactions energy: -1152.676
where: short stacking energy: -503.542
Base-Backbone interact. energy: -1.761
local terms energy: -491.326334
where:
bonds (distance) C4'-P energy: -83.959
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -75.975
tors. eta vs tors. theta energy: -141.003
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: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1579.956275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.956275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.956275 (E_RNA)
where:
Base-Base interactions energy: -1128.104
where: short stacking energy: -457.710
Base-Backbone interact. energy: 4.782
local terms energy: -456.634843
where:
bonds (distance) C4'-P energy: -79.623
bonds (distance) P-C4' energy: -85.479
flat angles C4'-P-C4' energy: -109.937
flat angles P-C4'-P energy: -64.938
tors. eta vs tors. theta energy: -116.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1496.860679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.860679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.860679 (E_RNA)
where:
Base-Base interactions energy: -1016.587
where: short stacking energy: -410.615
Base-Backbone interact. energy: -1.335
local terms energy: -478.938753
where:
bonds (distance) C4'-P energy: -89.132
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -113.235
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -116.672
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: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1474.660810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.660810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.660810 (E_RNA)
where:
Base-Base interactions energy: -1051.511
where: short stacking energy: -415.131
Base-Backbone interact. energy: -0.661
local terms energy: -422.488752
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -83.248
flat angles C4'-P-C4' energy: -91.326
flat angles P-C4'-P energy: -50.336
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1149.123681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.123681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.123681 (E_RNA)
where:
Base-Base interactions energy: -775.530
where: short stacking energy: -355.481
Base-Backbone interact. energy: 5.255
local terms energy: -378.848263
where:
bonds (distance) C4'-P energy: -86.503
bonds (distance) P-C4' energy: -66.052
flat angles C4'-P-C4' energy: -88.631
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -86.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -978.077971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.077971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.077971 (E_RNA)
where:
Base-Base interactions energy: -671.925
where: short stacking energy: -278.726
Base-Backbone interact. energy: 0.616
local terms energy: -306.768824
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -78.524
flat angles C4'-P-C4' energy: -89.288
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -45.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -851.945522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.945522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.945522 (E_RNA)
where:
Base-Base interactions energy: -559.378
where: short stacking energy: -247.190
Base-Backbone interact. energy: -1.044
local terms energy: -291.523767
where:
bonds (distance) C4'-P energy: -63.671
bonds (distance) P-C4' energy: -74.027
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1831.364360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.364360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.364360 (E_RNA)
where:
Base-Base interactions energy: -1288.396
where: short stacking energy: -533.094
Base-Backbone interact. energy: -4.149
local terms energy: -538.819704
where:
bonds (distance) C4'-P energy: -100.173
bonds (distance) P-C4' energy: -105.401
flat angles C4'-P-C4' energy: -110.493
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -150.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1749.380737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.380737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.380737 (E_RNA)
where:
Base-Base interactions energy: -1209.821
where: short stacking energy: -511.475
Base-Backbone interact. energy: -2.428
local terms energy: -537.131591
where:
bonds (distance) C4'-P energy: -103.314
bonds (distance) P-C4' energy: -87.456
flat angles C4'-P-C4' energy: -113.869
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -153.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1728.162107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.162107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.162107 (E_RNA)
where:
Base-Base interactions energy: -1217.481
where: short stacking energy: -500.059
Base-Backbone interact. energy: -2.273
local terms energy: -508.408051
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -108.317
flat angles P-C4'-P energy: -76.114
tors. eta vs tors. theta energy: -149.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1634.734639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.734639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.734639 (E_RNA)
where:
Base-Base interactions energy: -1147.533
where: short stacking energy: -488.703
Base-Backbone interact. energy: -2.603
local terms energy: -484.598231
where:
bonds (distance) C4'-P energy: -88.115
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -96.697
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -134.278
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: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1594.526387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.526387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.526387 (E_RNA)
where:
Base-Base interactions energy: -1132.007
where: short stacking energy: -480.397
Base-Backbone interact. energy: 1.302
local terms energy: -463.821445
where:
bonds (distance) C4'-P energy: -79.743
bonds (distance) P-C4' energy: -86.625
flat angles C4'-P-C4' energy: -100.896
flat angles P-C4'-P energy: -61.696
tors. eta vs tors. theta energy: -134.862
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1521.853515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.853515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.853515 (E_RNA)
where:
Base-Base interactions energy: -1084.399
where: short stacking energy: -452.914
Base-Backbone interact. energy: -2.323
local terms energy: -435.131444
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -78.649
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -124.818
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: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1445.786202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.786202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.786202 (E_RNA)
where:
Base-Base interactions energy: -1010.540
where: short stacking energy: -413.683
Base-Backbone interact. energy: 1.590
local terms energy: -436.836267
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -82.835
flat angles C4'-P-C4' energy: -85.327
flat angles P-C4'-P energy: -62.044
tors. eta vs tors. theta energy: -119.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1210.959451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.959451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.959451 (E_RNA)
where:
Base-Base interactions energy: -813.231
where: short stacking energy: -323.977
Base-Backbone interact. energy: 1.147
local terms energy: -398.875528
where:
bonds (distance) C4'-P energy: -88.048
bonds (distance) P-C4' energy: -79.500
flat angles C4'-P-C4' energy: -88.474
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -80.831
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: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -965.482705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.482705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.482705 (E_RNA)
where:
Base-Base interactions energy: -612.574
where: short stacking energy: -268.318
Base-Backbone interact. energy: -0.528
local terms energy: -352.380290
where:
bonds (distance) C4'-P energy: -83.580
bonds (distance) P-C4' energy: -81.920
flat angles C4'-P-C4' energy: -77.500
flat angles P-C4'-P energy: -61.766
tors. eta vs tors. theta energy: -47.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -819.212936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.212936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.212936 (E_RNA)
where:
Base-Base interactions energy: -518.474
where: short stacking energy: -249.247
Base-Backbone interact. energy: -1.571
local terms energy: -299.168415
where:
bonds (distance) C4'-P energy: -61.564
bonds (distance) P-C4' energy: -83.986
flat angles C4'-P-C4' energy: -72.382
flat angles P-C4'-P energy: -45.485
tors. eta vs tors. theta energy: -35.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1785.450054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.450054 (E_RNA)
where:
Base-Base interactions energy: -1249.737
where: short stacking energy: -540.298
Base-Backbone interact. energy: 0.327
local terms energy: -536.040330
where:
bonds (distance) C4'-P energy: -104.775
bonds (distance) P-C4' energy: -92.418
flat angles C4'-P-C4' energy: -115.650
flat angles P-C4'-P energy: -69.796
tors. eta vs tors. theta energy: -153.402
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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1799.210895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.210895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.210895 (E_RNA)
where:
Base-Base interactions energy: -1261.489
where: short stacking energy: -532.230
Base-Backbone interact. energy: -1.877
local terms energy: -535.844350
where:
bonds (distance) C4'-P energy: -96.864
bonds (distance) P-C4' energy: -104.262
flat angles C4'-P-C4' energy: -107.438
flat angles P-C4'-P energy: -77.827
tors. eta vs tors. theta energy: -149.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1711.143615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.143615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.143615 (E_RNA)
where:
Base-Base interactions energy: -1211.768
where: short stacking energy: -515.260
Base-Backbone interact. energy: -0.571
local terms energy: -498.804346
where:
bonds (distance) C4'-P energy: -84.962
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -107.688
flat angles P-C4'-P energy: -65.540
tors. eta vs tors. theta energy: -146.442
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: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1601.354913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.354913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.354913 (E_RNA)
where:
Base-Base interactions energy: -1131.536
where: short stacking energy: -462.750
Base-Backbone interact. energy: -1.734
local terms energy: -468.084653
where:
bonds (distance) C4'-P energy: -88.320
bonds (distance) P-C4' energy: -83.018
flat angles C4'-P-C4' energy: -98.815
flat angles P-C4'-P energy: -65.099
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1625.134843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.134843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.134843 (E_RNA)
where:
Base-Base interactions energy: -1149.536
where: short stacking energy: -472.761
Base-Backbone interact. energy: -0.375
local terms energy: -475.223610
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -104.424
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -129.281
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: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1555.829713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.829713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.829713 (E_RNA)
where:
Base-Base interactions energy: -1099.248
where: short stacking energy: -449.881
Base-Backbone interact. energy: -2.660
local terms energy: -453.921931
where:
bonds (distance) C4'-P energy: -87.752
bonds (distance) P-C4' energy: -82.403
flat angles C4'-P-C4' energy: -101.741
flat angles P-C4'-P energy: -60.569
tors. eta vs tors. theta energy: -121.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1464.066548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.066548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.066548 (E_RNA)
where:
Base-Base interactions energy: -1013.184
where: short stacking energy: -432.841
Base-Backbone interact. energy: -0.883
local terms energy: -449.998639
where:
bonds (distance) C4'-P energy: -87.783
bonds (distance) P-C4' energy: -68.686
flat angles C4'-P-C4' energy: -97.589
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -132.118
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: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1270.962702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.962702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.962702 (E_RNA)
where:
Base-Base interactions energy: -867.604
where: short stacking energy: -372.214
Base-Backbone interact. energy: -1.352
local terms energy: -402.007100
where:
bonds (distance) C4'-P energy: -76.487
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -92.867
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -92.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -957.650678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.650678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.650678 (E_RNA)
where:
Base-Base interactions energy: -607.274
where: short stacking energy: -266.347
Base-Backbone interact. energy: 1.364
local terms energy: -351.740101
where:
bonds (distance) C4'-P energy: -95.597
bonds (distance) P-C4' energy: -82.811
flat angles C4'-P-C4' energy: -83.130
flat angles P-C4'-P energy: -39.034
tors. eta vs tors. theta energy: -51.168
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -853.094392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.094392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.094392 (E_RNA)
where:
Base-Base interactions energy: -535.356
where: short stacking energy: -249.106
Base-Backbone interact. energy: -0.107
local terms energy: -317.631136
where:
bonds (distance) C4'-P energy: -78.851
bonds (distance) P-C4' energy: -85.045
flat angles C4'-P-C4' energy: -70.086
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -36.556
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1784.589566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.589566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.589566 (E_RNA)
where:
Base-Base interactions energy: -1258.310
where: short stacking energy: -520.808
Base-Backbone interact. energy: -3.503
local terms energy: -522.776517
where:
bonds (distance) C4'-P energy: -98.417
bonds (distance) P-C4' energy: -91.921
flat angles C4'-P-C4' energy: -113.872
flat angles P-C4'-P energy: -70.203
tors. eta vs tors. theta energy: -148.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1812.230022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.230022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.230022 (E_RNA)
where:
Base-Base interactions energy: -1275.701
where: short stacking energy: -512.573
Base-Backbone interact. energy: -2.271
local terms energy: -534.257950
where:
bonds (distance) C4'-P energy: -103.921
bonds (distance) P-C4' energy: -100.679
flat angles C4'-P-C4' energy: -112.351
flat angles P-C4'-P energy: -74.615
tors. eta vs tors. theta energy: -142.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1697.971828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.971828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.971828 (E_RNA)
where:
Base-Base interactions energy: -1184.462
where: short stacking energy: -496.337
Base-Backbone interact. energy: -2.259
local terms energy: -511.251088
where:
bonds (distance) C4'-P energy: -91.920
bonds (distance) P-C4' energy: -110.448
flat angles C4'-P-C4' energy: -102.389
flat angles P-C4'-P energy: -64.157
tors. eta vs tors. theta energy: -142.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1666.586940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.586940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.586940 (E_RNA)
where:
Base-Base interactions energy: -1193.816
where: short stacking energy: -474.667
Base-Backbone interact. energy: -0.608
local terms energy: -472.163605
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -90.059
flat angles C4'-P-C4' energy: -103.368
flat angles P-C4'-P energy: -67.248
tors. eta vs tors. theta energy: -132.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1586.994522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.994522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.994522 (E_RNA)
where:
Base-Base interactions energy: -1081.342
where: short stacking energy: -453.261
Base-Backbone interact. energy: -0.608
local terms energy: -505.044066
where:
bonds (distance) C4'-P energy: -102.106
bonds (distance) P-C4' energy: -87.155
flat angles C4'-P-C4' energy: -114.988
flat angles P-C4'-P energy: -67.465
tors. eta vs tors. theta energy: -133.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1512.129899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.129899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.129899 (E_RNA)
where:
Base-Base interactions energy: -1078.617
where: short stacking energy: -442.434
Base-Backbone interact. energy: 0.446
local terms energy: -433.959385
where:
bonds (distance) C4'-P energy: -83.733
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -93.807
flat angles P-C4'-P energy: -54.680
tors. eta vs tors. theta energy: -121.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1459.781654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.781654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.781654 (E_RNA)
where:
Base-Base interactions energy: -1009.606
where: short stacking energy: -414.464
Base-Backbone interact. energy: -2.036
local terms energy: -448.139811
where:
bonds (distance) C4'-P energy: -81.217
bonds (distance) P-C4' energy: -86.775
flat angles C4'-P-C4' energy: -97.536
flat angles P-C4'-P energy: -64.647
tors. eta vs tors. theta energy: -117.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1265.708853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.708853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.708853 (E_RNA)
where:
Base-Base interactions energy: -850.699
where: short stacking energy: -355.002
Base-Backbone interact. energy: 0.099
local terms energy: -415.108208
where:
bonds (distance) C4'-P energy: -97.630
bonds (distance) P-C4' energy: -93.962
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -60.974
tors. eta vs tors. theta energy: -85.628
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: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -948.353029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.353029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.353029 (E_RNA)
where:
Base-Base interactions energy: -629.515
where: short stacking energy: -281.959
Base-Backbone interact. energy: -0.608
local terms energy: -318.230571
where:
bonds (distance) C4'-P energy: -72.403
bonds (distance) P-C4' energy: -75.213
flat angles C4'-P-C4' energy: -90.319
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -857.637822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.637822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.637822 (E_RNA)
where:
Base-Base interactions energy: -523.337
where: short stacking energy: -247.498
Base-Backbone interact. energy: -1.607
local terms energy: -332.694335
where:
bonds (distance) C4'-P energy: -79.150
bonds (distance) P-C4' energy: -77.633
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -50.893
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: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1780.034272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.034272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.034272 (E_RNA)
where:
Base-Base interactions energy: -1222.970
where: short stacking energy: -510.542
Base-Backbone interact. energy: -0.945
local terms energy: -556.119140
where:
bonds (distance) C4'-P energy: -109.895
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -115.648
flat angles P-C4'-P energy: -78.433
tors. eta vs tors. theta energy: -141.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1821.154697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.154697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.154697 (E_RNA)
where:
Base-Base interactions energy: -1291.978
where: short stacking energy: -521.655
Base-Backbone interact. energy: -3.464
local terms energy: -525.713091
where:
bonds (distance) C4'-P energy: -102.279
bonds (distance) P-C4' energy: -92.023
flat angles C4'-P-C4' energy: -110.742
flat angles P-C4'-P energy: -71.463
tors. eta vs tors. theta energy: -149.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1714.291289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.291289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.291289 (E_RNA)
where:
Base-Base interactions energy: -1203.768
where: short stacking energy: -501.268
Base-Backbone interact. energy: -0.849
local terms energy: -509.674806
where:
bonds (distance) C4'-P energy: -92.582
bonds (distance) P-C4' energy: -100.850
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -76.026
tors. eta vs tors. theta energy: -141.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1671.534249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.534249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.534249 (E_RNA)
where:
Base-Base interactions energy: -1163.729
where: short stacking energy: -493.909
Base-Backbone interact. energy: -1.366
local terms energy: -506.439123
where:
bonds (distance) C4'-P energy: -84.558
bonds (distance) P-C4' energy: -93.685
flat angles C4'-P-C4' energy: -106.180
flat angles P-C4'-P energy: -81.768
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: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1573.724186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.724186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.724186 (E_RNA)
where:
Base-Base interactions energy: -1093.642
where: short stacking energy: -474.387
Base-Backbone interact. energy: -0.379
local terms energy: -479.703203
where:
bonds (distance) C4'-P energy: -93.082
bonds (distance) P-C4' energy: -101.295
flat angles C4'-P-C4' energy: -100.061
flat angles P-C4'-P energy: -57.420
tors. eta vs tors. theta energy: -127.845
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: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1541.429428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.429428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.429428 (E_RNA)
where:
Base-Base interactions energy: -1083.004
where: short stacking energy: -443.175
Base-Backbone interact. energy: -0.428
local terms energy: -457.997378
where:
bonds (distance) C4'-P energy: -75.456
bonds (distance) P-C4' energy: -80.413
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -69.880
tors. eta vs tors. theta energy: -126.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1455.356882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.356882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.356882 (E_RNA)
where:
Base-Base interactions energy: -1019.507
where: short stacking energy: -416.205
Base-Backbone interact. energy: -0.385
local terms energy: -435.464845
where:
bonds (distance) C4'-P energy: -67.573
bonds (distance) P-C4' energy: -80.572
flat angles C4'-P-C4' energy: -99.029
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -124.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1281.878031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.878031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.878031 (E_RNA)
where:
Base-Base interactions energy: -886.415
where: short stacking energy: -377.734
Base-Backbone interact. energy: 0.835
local terms energy: -396.297166
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -91.990
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -95.782
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: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -915.469835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.469835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.469835 (E_RNA)
where:
Base-Base interactions energy: -584.398
where: short stacking energy: -248.817
Base-Backbone interact. energy: 1.650
local terms energy: -332.721892
where:
bonds (distance) C4'-P energy: -85.703
bonds (distance) P-C4' energy: -81.376
flat angles C4'-P-C4' energy: -81.384
flat angles P-C4'-P energy: -56.228
tors. eta vs tors. theta energy: -28.030
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: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -849.403876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.403876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.403876 (E_RNA)
where:
Base-Base interactions energy: -533.947
where: short stacking energy: -262.070
Base-Backbone interact. energy: -0.013
local terms energy: -315.443979
where:
bonds (distance) C4'-P energy: -78.699
bonds (distance) P-C4' energy: -75.102
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -39.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1795.121464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.121464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.121464 (E_RNA)
where:
Base-Base interactions energy: -1248.304
where: short stacking energy: -546.917
Base-Backbone interact. energy: -2.169
local terms energy: -544.648391
where:
bonds (distance) C4'-P energy: -96.802
bonds (distance) P-C4' energy: -99.718
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -83.365
tors. eta vs tors. theta energy: -149.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1802.379873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.379873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.379873 (E_RNA)
where:
Base-Base interactions energy: -1262.515
where: short stacking energy: -498.700
Base-Backbone interact. energy: -2.840
local terms energy: -537.024698
where:
bonds (distance) C4'-P energy: -99.960
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -108.393
flat angles P-C4'-P energy: -91.759
tors. eta vs tors. theta energy: -145.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1685.956527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.956527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.956527 (E_RNA)
where:
Base-Base interactions energy: -1182.740
where: short stacking energy: -494.401
Base-Backbone interact. energy: 0.920
local terms energy: -504.136437
where:
bonds (distance) C4'-P energy: -87.318
bonds (distance) P-C4' energy: -93.184
flat angles C4'-P-C4' energy: -108.427
flat angles P-C4'-P energy: -79.341
tors. eta vs tors. theta energy: -135.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1675.073450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.073450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.073450 (E_RNA)
where:
Base-Base interactions energy: -1173.362
where: short stacking energy: -490.510
Base-Backbone interact. energy: -1.777
local terms energy: -499.934201
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -92.772
flat angles C4'-P-C4' energy: -108.102
flat angles P-C4'-P energy: -78.173
tors. eta vs tors. theta energy: -142.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1560.355131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.355131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.355131 (E_RNA)
where:
Base-Base interactions energy: -1099.943
where: short stacking energy: -475.520
Base-Backbone interact. energy: -1.258
local terms energy: -459.153443
where:
bonds (distance) C4'-P energy: -74.845
bonds (distance) P-C4' energy: -85.163
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -133.239
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: 137
Temperature: 1.150000
Total energy: -1561.755633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.755633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.755633 (E_RNA)
where:
Base-Base interactions energy: -1080.476
where: short stacking energy: -462.108
Base-Backbone interact. energy: -0.750
local terms energy: -480.529848
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -86.246
flat angles C4'-P-C4' energy: -98.998
flat angles P-C4'-P energy: -65.213
tors. eta vs tors. theta energy: -134.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1428.600251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.600251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.600251 (E_RNA)
where:
Base-Base interactions energy: -994.255
where: short stacking energy: -398.372
Base-Backbone interact. energy: -2.182
local terms energy: -432.162791
where:
bonds (distance) C4'-P energy: -76.369
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -90.891
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -115.322
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: 137
Temperature: 1.250000
Total energy: -1305.744966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.744966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.744966 (E_RNA)
where:
Base-Base interactions energy: -906.340
where: short stacking energy: -384.835
Base-Backbone interact. energy: -1.796
local terms energy: -397.608574
where:
bonds (distance) C4'-P energy: -66.490
bonds (distance) P-C4' energy: -79.508
flat angles C4'-P-C4' energy: -85.572
flat angles P-C4'-P energy: -61.687
tors. eta vs tors. theta energy: -104.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -963.839654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.839654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.839654 (E_RNA)
where:
Base-Base interactions energy: -636.686
where: short stacking energy: -277.575
Base-Backbone interact. energy: -2.768
local terms energy: -324.385975
where:
bonds (distance) C4'-P energy: -77.015
bonds (distance) P-C4' energy: -77.788
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -51.402
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -879.894101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.894101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.894101 (E_RNA)
where:
Base-Base interactions energy: -578.799
where: short stacking energy: -239.117
Base-Backbone interact. energy: -2.189
local terms energy: -298.906459
where:
bonds (distance) C4'-P energy: -62.423
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -68.290
flat angles P-C4'-P energy: -52.675
tors. eta vs tors. theta energy: -35.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1828.017027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.017027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.017027 (E_RNA)
where:
Base-Base interactions energy: -1314.964
where: short stacking energy: -526.800
Base-Backbone interact. energy: -0.462
local terms energy: -512.590676
where:
bonds (distance) C4'-P energy: -91.882
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -113.427
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -137.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1771.351788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.351788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.351788 (E_RNA)
where:
Base-Base interactions energy: -1241.199
where: short stacking energy: -519.061
Base-Backbone interact. energy: -1.806
local terms energy: -528.347352
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -108.450
flat angles P-C4'-P energy: -73.386
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: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1729.147967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.147967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.147967 (E_RNA)
where:
Base-Base interactions energy: -1214.423
where: short stacking energy: -520.627
Base-Backbone interact. energy: -1.615
local terms energy: -513.109937
where:
bonds (distance) C4'-P energy: -83.686
bonds (distance) P-C4' energy: -88.471
flat angles C4'-P-C4' energy: -115.049
flat angles P-C4'-P energy: -76.495
tors. eta vs tors. theta energy: -149.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1652.971735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.971735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.971735 (E_RNA)
where:
Base-Base interactions energy: -1148.653
where: short stacking energy: -471.533
Base-Backbone interact. energy: 1.246
local terms energy: -505.564665
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -98.847
flat angles C4'-P-C4' energy: -109.927
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -129.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1627.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.767793 (E_RNA)
where:
Base-Base interactions energy: -1147.820
where: short stacking energy: -468.158
Base-Backbone interact. energy: -1.052
local terms energy: -478.894865
where:
bonds (distance) C4'-P energy: -81.796
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -96.407
flat angles P-C4'-P energy: -68.759
tors. eta vs tors. theta energy: -131.136
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: 138
Temperature: 1.150000
Total energy: -1554.223659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.223659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.223659 (E_RNA)
where:
Base-Base interactions energy: -1078.770
where: short stacking energy: -447.806
Base-Backbone interact. energy: -1.262
local terms energy: -474.190726
where:
bonds (distance) C4'-P energy: -82.237
bonds (distance) P-C4' energy: -96.573
flat angles C4'-P-C4' energy: -105.226
flat angles P-C4'-P energy: -63.153
tors. eta vs tors. theta energy: -127.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1455.059832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.059832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.059832 (E_RNA)
where:
Base-Base interactions energy: -1027.891
where: short stacking energy: -439.331
Base-Backbone interact. energy: -2.480
local terms energy: -424.688925
where:
bonds (distance) C4'-P energy: -74.180
bonds (distance) P-C4' energy: -63.185
flat angles C4'-P-C4' energy: -100.943
flat angles P-C4'-P energy: -68.122
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: 138
Temperature: 1.250000
Total energy: -1286.492393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.492393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.492393 (E_RNA)
where:
Base-Base interactions energy: -874.366
where: short stacking energy: -365.725
Base-Backbone interact. energy: 0.968
local terms energy: -413.095075
where:
bonds (distance) C4'-P energy: -82.990
bonds (distance) P-C4' energy: -93.404
flat angles C4'-P-C4' energy: -81.198
flat angles P-C4'-P energy: -56.662
tors. eta vs tors. theta energy: -98.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -938.182152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.182152 (E_RNA)
where:
Base-Base interactions energy: -587.864
where: short stacking energy: -265.949
Base-Backbone interact. energy: 0.708
local terms energy: -351.025982
where:
bonds (distance) C4'-P energy: -91.083
bonds (distance) P-C4' energy: -83.032
flat angles C4'-P-C4' energy: -72.704
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -50.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -972.701228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.701228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.701228 (E_RNA)
where:
Base-Base interactions energy: -648.162
where: short stacking energy: -287.285
Base-Backbone interact. energy: 1.567
local terms energy: -326.106663
where:
bonds (distance) C4'-P energy: -60.858
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -70.362
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -58.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1834.737606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.737606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.737606 (E_RNA)
where:
Base-Base interactions energy: -1289.551
where: short stacking energy: -526.127
Base-Backbone interact. energy: -1.860
local terms energy: -543.326346
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -105.232
flat angles C4'-P-C4' energy: -113.301
flat angles P-C4'-P energy: -85.641
tors. eta vs tors. theta energy: -146.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1774.585125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.585125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.585125 (E_RNA)
where:
Base-Base interactions energy: -1246.568
where: short stacking energy: -531.578
Base-Backbone interact. energy: 2.083
local terms energy: -530.100022
where:
bonds (distance) C4'-P energy: -81.433
bonds (distance) P-C4' energy: -102.180
flat angles C4'-P-C4' energy: -107.630
flat angles P-C4'-P energy: -78.113
tors. eta vs tors. theta energy: -160.744
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1704.448619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.448619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.448619 (E_RNA)
where:
Base-Base interactions energy: -1194.348
where: short stacking energy: -506.745
Base-Backbone interact. energy: 3.686
local terms energy: -513.786528
where:
bonds (distance) C4'-P energy: -90.387
bonds (distance) P-C4' energy: -92.429
flat angles C4'-P-C4' energy: -110.820
flat angles P-C4'-P energy: -68.558
tors. eta vs tors. theta energy: -151.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1677.618693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.618693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.618693 (E_RNA)
where:
Base-Base interactions energy: -1169.772
where: short stacking energy: -499.611
Base-Backbone interact. energy: -0.588
local terms energy: -507.258753
where:
bonds (distance) C4'-P energy: -80.630
bonds (distance) P-C4' energy: -101.241
flat angles C4'-P-C4' energy: -99.139
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -141.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1639.239244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.239244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.239244 (E_RNA)
where:
Base-Base interactions energy: -1139.866
where: short stacking energy: -483.893
Base-Backbone interact. energy: -1.507
local terms energy: -497.867119
where:
bonds (distance) C4'-P energy: -93.899
bonds (distance) P-C4' energy: -98.464
flat angles C4'-P-C4' energy: -100.543
flat angles P-C4'-P energy: -71.547
tors. eta vs tors. theta energy: -133.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1534.469679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.469679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.469679 (E_RNA)
where:
Base-Base interactions energy: -1104.203
where: short stacking energy: -453.369
Base-Backbone interact. energy: -1.470
local terms energy: -428.797217
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -92.258
flat angles P-C4'-P energy: -61.483
tors. eta vs tors. theta energy: -133.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1407.751462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.751462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.751462 (E_RNA)
where:
Base-Base interactions energy: -998.302
where: short stacking energy: -409.406
Base-Backbone interact. energy: -2.701
local terms energy: -406.748812
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -68.747
flat angles C4'-P-C4' energy: -102.665
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: -108.582
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: 139
Temperature: 1.250000
Total energy: -1236.959374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.959374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.959374 (E_RNA)
where:
Base-Base interactions energy: -852.338
where: short stacking energy: -360.431
Base-Backbone interact. energy: -2.492
local terms energy: -382.129341
where:
bonds (distance) C4'-P energy: -79.699
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -76.726
flat angles P-C4'-P energy: -58.069
tors. eta vs tors. theta energy: -83.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -889.918967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.918967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.918967 (E_RNA)
where:
Base-Base interactions energy: -562.275
where: short stacking energy: -236.026
Base-Backbone interact. energy: -3.126
local terms energy: -324.517708
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -83.699
flat angles C4'-P-C4' energy: -81.193
flat angles P-C4'-P energy: -56.735
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -922.186898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.186898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.186898 (E_RNA)
where:
Base-Base interactions energy: -609.465
where: short stacking energy: -273.774
Base-Backbone interact. energy: 0.881
local terms energy: -313.602527
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -73.771
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -59.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1828.417412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.417412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.417412 (E_RNA)
where:
Base-Base interactions energy: -1286.488
where: short stacking energy: -540.490
Base-Backbone interact. energy: -2.777
local terms energy: -539.152220
where:
bonds (distance) C4'-P energy: -102.252
bonds (distance) P-C4' energy: -95.152
flat angles C4'-P-C4' energy: -117.490
flat angles P-C4'-P energy: -71.832
tors. eta vs tors. theta energy: -152.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1767.569180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.569180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.569180 (E_RNA)
where:
Base-Base interactions energy: -1213.860
where: short stacking energy: -509.593
Base-Backbone interact. energy: -1.932
local terms energy: -551.777019
where:
bonds (distance) C4'-P energy: -96.148
bonds (distance) P-C4' energy: -103.651
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -85.932
tors. eta vs tors. theta energy: -154.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1722.190524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.190524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.190524 (E_RNA)
where:
Base-Base interactions energy: -1211.793
where: short stacking energy: -507.296
Base-Backbone interact. energy: 0.249
local terms energy: -510.647098
where:
bonds (distance) C4'-P energy: -86.710
bonds (distance) P-C4' energy: -87.874
flat angles C4'-P-C4' energy: -116.063
flat angles P-C4'-P energy: -67.170
tors. eta vs tors. theta energy: -152.830
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: 140
Temperature: 1.050000
Total energy: -1680.507658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.507658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.507658 (E_RNA)
where:
Base-Base interactions energy: -1178.514
where: short stacking energy: -501.312
Base-Backbone interact. energy: -2.098
local terms energy: -499.895923
where:
bonds (distance) C4'-P energy: -91.356
bonds (distance) P-C4' energy: -91.241
flat angles C4'-P-C4' energy: -108.518
flat angles P-C4'-P energy: -67.638
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: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1651.782361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.782361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.782361 (E_RNA)
where:
Base-Base interactions energy: -1157.348
where: short stacking energy: -483.161
Base-Backbone interact. energy: -2.934
local terms energy: -491.500422
where:
bonds (distance) C4'-P energy: -88.658
bonds (distance) P-C4' energy: -76.519
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -74.840
tors. eta vs tors. theta energy: -140.026
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: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1550.357015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.357015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.357015 (E_RNA)
where:
Base-Base interactions energy: -1092.036
where: short stacking energy: -465.632
Base-Backbone interact. energy: -0.889
local terms energy: -457.431771
where:
bonds (distance) C4'-P energy: -82.733
bonds (distance) P-C4' energy: -89.960
flat angles C4'-P-C4' energy: -98.391
flat angles P-C4'-P energy: -57.617
tors. eta vs tors. theta energy: -128.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1434.822284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.822284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.822284 (E_RNA)
where:
Base-Base interactions energy: -1020.408
where: short stacking energy: -395.184
Base-Backbone interact. energy: 0.974
local terms energy: -415.388327
where:
bonds (distance) C4'-P energy: -78.340
bonds (distance) P-C4' energy: -77.463
flat angles C4'-P-C4' energy: -99.499
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -109.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1279.981963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.981963 (E_RNA)
where:
Base-Base interactions energy: -891.845
where: short stacking energy: -373.054
Base-Backbone interact. energy: -0.800
local terms energy: -387.336858
where:
bonds (distance) C4'-P energy: -86.906
bonds (distance) P-C4' energy: -86.485
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -87.530
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: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1002.010788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.010788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.010788 (E_RNA)
where:
Base-Base interactions energy: -618.832
where: short stacking energy: -293.518
Base-Backbone interact. energy: 6.386
local terms energy: -389.565394
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -86.097
flat angles C4'-P-C4' energy: -87.805
flat angles P-C4'-P energy: -53.270
tors. eta vs tors. theta energy: -76.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -866.711725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.711725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.711725 (E_RNA)
where:
Base-Base interactions energy: -550.899
where: short stacking energy: -242.356
Base-Backbone interact. energy: 0.407
local terms energy: -316.220281
where:
bonds (distance) C4'-P energy: -79.384
bonds (distance) P-C4' energy: -87.030
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -60.003
tors. eta vs tors. theta energy: -21.252
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: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1839.973496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.973496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.973496 (E_RNA)
where:
Base-Base interactions energy: -1293.690
where: short stacking energy: -525.530
Base-Backbone interact. energy: -0.854
local terms energy: -545.429580
where:
bonds (distance) C4'-P energy: -98.009
bonds (distance) P-C4' energy: -94.145
flat angles C4'-P-C4' energy: -117.173
flat angles P-C4'-P energy: -86.453
tors. eta vs tors. theta energy: -149.650
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: 141
Temperature: 0.950000
Total energy: -1750.783120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.783120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.783120 (E_RNA)
where:
Base-Base interactions energy: -1231.143
where: short stacking energy: -517.577
Base-Backbone interact. energy: -2.211
local terms energy: -517.428338
where:
bonds (distance) C4'-P energy: -90.787
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -111.023
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -149.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1728.592464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.592464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.592464 (E_RNA)
where:
Base-Base interactions energy: -1229.503
where: short stacking energy: -498.899
Base-Backbone interact. energy: -0.938
local terms energy: -498.151995
where:
bonds (distance) C4'-P energy: -79.224
bonds (distance) P-C4' energy: -93.932
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -70.478
tors. eta vs tors. theta energy: -144.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1650.950791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.950791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.950791 (E_RNA)
where:
Base-Base interactions energy: -1171.545
where: short stacking energy: -488.977
Base-Backbone interact. energy: -1.787
local terms energy: -477.618880
where:
bonds (distance) C4'-P energy: -86.976
bonds (distance) P-C4' energy: -95.235
flat angles C4'-P-C4' energy: -99.594
flat angles P-C4'-P energy: -64.405
tors. eta vs tors. theta energy: -131.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1651.887872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.887872 (E_RNA)
where:
Base-Base interactions energy: -1181.917
where: short stacking energy: -487.788
Base-Backbone interact. energy: -2.085
local terms energy: -467.885923
where:
bonds (distance) C4'-P energy: -84.710
bonds (distance) P-C4' energy: -85.916
flat angles C4'-P-C4' energy: -97.460
flat angles P-C4'-P energy: -62.543
tors. eta vs tors. theta energy: -137.257
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1567.758987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.758987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.758987 (E_RNA)
where:
Base-Base interactions energy: -1105.173
where: short stacking energy: -477.825
Base-Backbone interact. energy: -1.742
local terms energy: -460.843291
where:
bonds (distance) C4'-P energy: -80.057
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -102.544
flat angles P-C4'-P energy: -64.846
tors. eta vs tors. theta energy: -134.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1396.040550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.040550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.040550 (E_RNA)
where:
Base-Base interactions energy: -972.655
where: short stacking energy: -388.984
Base-Backbone interact. energy: -0.453
local terms energy: -422.932647
where:
bonds (distance) C4'-P energy: -78.477
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -94.160
flat angles P-C4'-P energy: -55.859
tors. eta vs tors. theta energy: -114.865
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: 141
Temperature: 1.250000
Total energy: -1231.593121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.593121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.593121 (E_RNA)
where:
Base-Base interactions energy: -839.451
where: short stacking energy: -365.845
Base-Backbone interact. energy: -3.677
local terms energy: -388.464174
where:
bonds (distance) C4'-P energy: -76.725
bonds (distance) P-C4' energy: -72.554
flat angles C4'-P-C4' energy: -86.860
flat angles P-C4'-P energy: -55.076
tors. eta vs tors. theta energy: -97.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -999.615645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.615645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.615645 (E_RNA)
where:
Base-Base interactions energy: -645.374
where: short stacking energy: -294.787
Base-Backbone interact. energy: -0.458
local terms energy: -353.783703
where:
bonds (distance) C4'-P energy: -65.929
bonds (distance) P-C4' energy: -82.115
flat angles C4'-P-C4' energy: -88.630
flat angles P-C4'-P energy: -57.178
tors. eta vs tors. theta energy: -59.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -850.096868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.096868 (E_RNA)
where:
Base-Base interactions energy: -544.189
where: short stacking energy: -205.164
Base-Backbone interact. energy: 0.378
local terms energy: -306.285533
where:
bonds (distance) C4'-P energy: -84.492
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -73.093
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1828.132116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.132116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.132116 (E_RNA)
where:
Base-Base interactions energy: -1300.293
where: short stacking energy: -531.782
Base-Backbone interact. energy: -2.855
local terms energy: -524.984189
where:
bonds (distance) C4'-P energy: -93.568
bonds (distance) P-C4' energy: -97.437
flat angles C4'-P-C4' energy: -103.837
flat angles P-C4'-P energy: -75.321
tors. eta vs tors. theta energy: -154.821
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: 142
Temperature: 0.950000
Total energy: -1749.451925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.451925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.451925 (E_RNA)
where:
Base-Base interactions energy: -1222.679
where: short stacking energy: -512.617
Base-Backbone interact. energy: -2.561
local terms energy: -524.211956
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -109.885
flat angles C4'-P-C4' energy: -106.064
flat angles P-C4'-P energy: -72.474
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: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1703.412257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.412257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.412257 (E_RNA)
where:
Base-Base interactions energy: -1195.139
where: short stacking energy: -505.753
Base-Backbone interact. energy: -1.068
local terms energy: -507.204975
where:
bonds (distance) C4'-P energy: -82.343
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -107.739
flat angles P-C4'-P energy: -78.388
tors. eta vs tors. theta energy: -143.463
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: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1678.575082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.575082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.575082 (E_RNA)
where:
Base-Base interactions energy: -1194.102
where: short stacking energy: -486.012
Base-Backbone interact. energy: -2.141
local terms energy: -482.332351
where:
bonds (distance) C4'-P energy: -84.145
bonds (distance) P-C4' energy: -91.005
flat angles C4'-P-C4' energy: -107.345
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -137.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1640.150528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.150528 (E_RNA)
where:
Base-Base interactions energy: -1157.514
where: short stacking energy: -479.878
Base-Backbone interact. energy: -1.061
local terms energy: -481.575354
where:
bonds (distance) C4'-P energy: -85.162
bonds (distance) P-C4' energy: -80.642
flat angles C4'-P-C4' energy: -101.898
flat angles P-C4'-P energy: -74.642
tors. eta vs tors. theta energy: -139.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1545.132120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.132120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.132120 (E_RNA)
where:
Base-Base interactions energy: -1079.413
where: short stacking energy: -448.598
Base-Backbone interact. energy: -1.132
local terms energy: -464.587152
where:
bonds (distance) C4'-P energy: -81.995
bonds (distance) P-C4' energy: -89.667
flat angles C4'-P-C4' energy: -101.505
flat angles P-C4'-P energy: -67.521
tors. eta vs tors. theta energy: -123.899
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: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1411.446236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.446236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.446236 (E_RNA)
where:
Base-Base interactions energy: -1005.379
where: short stacking energy: -400.426
Base-Backbone interact. energy: -1.603
local terms energy: -404.464080
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -90.285
flat angles C4'-P-C4' energy: -85.393
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -104.421
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: 142
Temperature: 1.250000
Total energy: -1204.608605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.608605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.608605 (E_RNA)
where:
Base-Base interactions energy: -812.511
where: short stacking energy: -355.827
Base-Backbone interact. energy: -1.533
local terms energy: -390.564979
where:
bonds (distance) C4'-P energy: -76.949
bonds (distance) P-C4' energy: -92.254
flat angles C4'-P-C4' energy: -87.342
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -86.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1004.661323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.661323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.661323 (E_RNA)
where:
Base-Base interactions energy: -663.340
where: short stacking energy: -299.018
Base-Backbone interact. energy: -0.316
local terms energy: -341.005316
where:
bonds (distance) C4'-P energy: -70.446
bonds (distance) P-C4' energy: -84.355
flat angles C4'-P-C4' energy: -66.262
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -64.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -834.335611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.335611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.335611 (E_RNA)
where:
Base-Base interactions energy: -555.369
where: short stacking energy: -254.475
Base-Backbone interact. energy: -1.609
local terms energy: -277.358176
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -68.927
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -46.303
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1818.469171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.469171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.469171 (E_RNA)
where:
Base-Base interactions energy: -1283.326
where: short stacking energy: -538.252
Base-Backbone interact. energy: -0.622
local terms energy: -534.520776
where:
bonds (distance) C4'-P energy: -97.776
bonds (distance) P-C4' energy: -98.899
flat angles C4'-P-C4' energy: -113.640
flat angles P-C4'-P energy: -76.228
tors. eta vs tors. theta energy: -147.977
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: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1755.202716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.202716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.202716 (E_RNA)
where:
Base-Base interactions energy: -1247.423
where: short stacking energy: -516.591
Base-Backbone interact. energy: -0.751
local terms energy: -507.028393
where:
bonds (distance) C4'-P energy: -84.463
bonds (distance) P-C4' energy: -90.533
flat angles C4'-P-C4' energy: -111.551
flat angles P-C4'-P energy: -78.751
tors. eta vs tors. theta energy: -141.730
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1741.853932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.853932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.853932 (E_RNA)
where:
Base-Base interactions energy: -1209.125
where: short stacking energy: -487.592
Base-Backbone interact. energy: -2.036
local terms energy: -530.693398
where:
bonds (distance) C4'-P energy: -88.626
bonds (distance) P-C4' energy: -104.290
flat angles C4'-P-C4' energy: -115.117
flat angles P-C4'-P energy: -84.195
tors. eta vs tors. theta energy: -138.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1657.698051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.698051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.698051 (E_RNA)
where:
Base-Base interactions energy: -1169.978
where: short stacking energy: -492.165
Base-Backbone interact. energy: -0.852
local terms energy: -486.867477
where:
bonds (distance) C4'-P energy: -79.496
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -113.254
flat angles P-C4'-P energy: -75.716
tors. eta vs tors. theta energy: -135.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1640.306364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.306364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.306364 (E_RNA)
where:
Base-Base interactions energy: -1165.423
where: short stacking energy: -477.128
Base-Backbone interact. energy: -3.063
local terms energy: -471.820284
where:
bonds (distance) C4'-P energy: -75.485
bonds (distance) P-C4' energy: -87.769
flat angles C4'-P-C4' energy: -104.762
flat angles P-C4'-P energy: -70.167
tors. eta vs tors. theta energy: -133.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1541.464139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.464139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.464139 (E_RNA)
where:
Base-Base interactions energy: -1066.055
where: short stacking energy: -452.999
Base-Backbone interact. energy: -3.483
local terms energy: -471.926442
where:
bonds (distance) C4'-P energy: -88.955
bonds (distance) P-C4' energy: -88.061
flat angles C4'-P-C4' energy: -91.199
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -139.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1414.691402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.691402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.691402 (E_RNA)
where:
Base-Base interactions energy: -972.266
where: short stacking energy: -387.468
Base-Backbone interact. energy: 3.630
local terms energy: -446.055592
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -77.551
flat angles C4'-P-C4' energy: -91.879
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -109.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1219.853571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.853571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.853571 (E_RNA)
where:
Base-Base interactions energy: -823.351
where: short stacking energy: -370.739
Base-Backbone interact. energy: 0.604
local terms energy: -397.106536
where:
bonds (distance) C4'-P energy: -67.928
bonds (distance) P-C4' energy: -85.687
flat angles C4'-P-C4' energy: -100.416
flat angles P-C4'-P energy: -49.363
tors. eta vs tors. theta energy: -93.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -973.112490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.112490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.112490 (E_RNA)
where:
Base-Base interactions energy: -644.548
where: short stacking energy: -275.718
Base-Backbone interact. energy: -1.816
local terms energy: -326.748817
where:
bonds (distance) C4'-P energy: -69.493
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -70.324
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -60.227
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: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -836.825842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.825842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.825842 (E_RNA)
where:
Base-Base interactions energy: -539.803
where: short stacking energy: -228.591
Base-Backbone interact. energy: 1.366
local terms energy: -298.389517
where:
bonds (distance) C4'-P energy: -70.530
bonds (distance) P-C4' energy: -84.426
flat angles C4'-P-C4' energy: -75.988
flat angles P-C4'-P energy: -48.926
tors. eta vs tors. theta energy: -18.519
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: 144
Temperature: 0.900000
Total energy: -1829.994589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.994589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.994589 (E_RNA)
where:
Base-Base interactions energy: -1299.469
where: short stacking energy: -532.482
Base-Backbone interact. energy: -1.657
local terms energy: -528.868161
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -102.665
flat angles C4'-P-C4' energy: -111.666
flat angles P-C4'-P energy: -75.172
tors. eta vs tors. theta energy: -145.369
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: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1748.324505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.324505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.324505 (E_RNA)
where:
Base-Base interactions energy: -1214.501
where: short stacking energy: -515.868
Base-Backbone interact. energy: -1.029
local terms energy: -532.794498
where:
bonds (distance) C4'-P energy: -93.235
bonds (distance) P-C4' energy: -97.669
flat angles C4'-P-C4' energy: -118.564
flat angles P-C4'-P energy: -77.871
tors. eta vs tors. theta energy: -145.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1740.484953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.484953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.484953 (E_RNA)
where:
Base-Base interactions energy: -1247.789
where: short stacking energy: -542.133
Base-Backbone interact. energy: 3.708
local terms energy: -496.403920
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -89.200
flat angles C4'-P-C4' energy: -97.524
flat angles P-C4'-P energy: -79.047
tors. eta vs tors. theta energy: -143.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1655.966398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.966398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.966398 (E_RNA)
where:
Base-Base interactions energy: -1162.581
where: short stacking energy: -476.223
Base-Backbone interact. energy: 0.260
local terms energy: -493.645961
where:
bonds (distance) C4'-P energy: -82.666
bonds (distance) P-C4' energy: -92.098
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -77.813
tors. eta vs tors. theta energy: -135.385
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1529.917352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.917352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.917352 (E_RNA)
where:
Base-Base interactions energy: -1063.861
where: short stacking energy: -465.264
Base-Backbone interact. energy: -1.988
local terms energy: -464.068406
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -82.806
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -74.553
tors. eta vs tors. theta energy: -122.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1592.141907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.141907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.141907 (E_RNA)
where:
Base-Base interactions energy: -1122.651
where: short stacking energy: -461.650
Base-Backbone interact. energy: 4.442
local terms energy: -473.932884
where:
bonds (distance) C4'-P energy: -75.347
bonds (distance) P-C4' energy: -96.148
flat angles C4'-P-C4' energy: -96.073
flat angles P-C4'-P energy: -73.896
tors. eta vs tors. theta energy: -132.469
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: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1413.542139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.542139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.542139 (E_RNA)
where:
Base-Base interactions energy: -1001.639
where: short stacking energy: -414.876
Base-Backbone interact. energy: -1.091
local terms energy: -410.812055
where:
bonds (distance) C4'-P energy: -69.503
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -102.466
flat angles P-C4'-P energy: -55.948
tors. eta vs tors. theta energy: -107.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1174.980705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.980705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.980705 (E_RNA)
where:
Base-Base interactions energy: -783.526
where: short stacking energy: -343.613
Base-Backbone interact. energy: -2.458
local terms energy: -388.996695
where:
bonds (distance) C4'-P energy: -91.476
bonds (distance) P-C4' energy: -90.162
flat angles C4'-P-C4' energy: -75.197
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: -76.651
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: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -970.269012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.269012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.269012 (E_RNA)
where:
Base-Base interactions energy: -631.041
where: short stacking energy: -288.198
Base-Backbone interact. energy: 2.058
local terms energy: -341.285374
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -91.360
flat angles C4'-P-C4' energy: -67.808
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -56.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -834.424997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.424997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.424997 (E_RNA)
where:
Base-Base interactions energy: -521.765
where: short stacking energy: -216.630
Base-Backbone interact. energy: 3.190
local terms energy: -315.850143
where:
bonds (distance) C4'-P energy: -74.125
bonds (distance) P-C4' energy: -80.513
flat angles C4'-P-C4' energy: -83.235
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1842.571679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.571679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.571679 (E_RNA)
where:
Base-Base interactions energy: -1285.672
where: short stacking energy: -521.234
Base-Backbone interact. energy: -1.711
local terms energy: -555.188438
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -104.628
flat angles C4'-P-C4' energy: -116.316
flat angles P-C4'-P energy: -75.408
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: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1734.379265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.379265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.379265 (E_RNA)
where:
Base-Base interactions energy: -1216.262
where: short stacking energy: -512.796
Base-Backbone interact. energy: -0.671
local terms energy: -517.445992
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -100.875
flat angles C4'-P-C4' energy: -118.378
flat angles P-C4'-P energy: -76.559
tors. eta vs tors. theta energy: -147.961
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1711.629487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.629487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.629487 (E_RNA)
where:
Base-Base interactions energy: -1210.801
where: short stacking energy: -504.322
Base-Backbone interact. energy: 0.073
local terms energy: -500.902042
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -88.334
flat angles C4'-P-C4' energy: -110.918
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -135.512
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1674.178989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.178989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.178989 (E_RNA)
where:
Base-Base interactions energy: -1173.780
where: short stacking energy: -491.924
Base-Backbone interact. energy: -3.676
local terms energy: -496.723526
where:
bonds (distance) C4'-P energy: -88.521
bonds (distance) P-C4' energy: -93.594
flat angles C4'-P-C4' energy: -99.041
flat angles P-C4'-P energy: -62.754
tors. eta vs tors. theta energy: -152.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1542.237786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.237786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.237786 (E_RNA)
where:
Base-Base interactions energy: -1064.396
where: short stacking energy: -454.066
Base-Backbone interact. energy: 5.558
local terms energy: -483.399712
where:
bonds (distance) C4'-P energy: -83.235
bonds (distance) P-C4' energy: -94.650
flat angles C4'-P-C4' energy: -103.463
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -129.408
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: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1586.736156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.736156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.736156 (E_RNA)
where:
Base-Base interactions energy: -1118.271
where: short stacking energy: -451.320
Base-Backbone interact. energy: -1.509
local terms energy: -466.956538
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -75.076
flat angles C4'-P-C4' energy: -95.098
flat angles P-C4'-P energy: -65.421
tors. eta vs tors. theta energy: -139.070
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1376.888530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.888530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.888530 (E_RNA)
where:
Base-Base interactions energy: -945.614
where: short stacking energy: -377.155
Base-Backbone interact. energy: -0.530
local terms energy: -430.744437
where:
bonds (distance) C4'-P energy: -77.348
bonds (distance) P-C4' energy: -81.877
flat angles C4'-P-C4' energy: -95.883
flat angles P-C4'-P energy: -69.848
tors. eta vs tors. theta energy: -105.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1215.251649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.251649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.251649 (E_RNA)
where:
Base-Base interactions energy: -828.697
where: short stacking energy: -355.448
Base-Backbone interact. energy: -2.261
local terms energy: -384.294028
where:
bonds (distance) C4'-P energy: -75.536
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -73.770
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -91.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1020.577388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.577388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.577388 (E_RNA)
where:
Base-Base interactions energy: -666.600
where: short stacking energy: -284.882
Base-Backbone interact. energy: 1.513
local terms energy: -355.490077
where:
bonds (distance) C4'-P energy: -74.342
bonds (distance) P-C4' energy: -82.853
flat angles C4'-P-C4' energy: -81.489
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -64.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -809.524169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.524169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.524169 (E_RNA)
where:
Base-Base interactions energy: -515.234
where: short stacking energy: -223.684
Base-Backbone interact. energy: -2.472
local terms energy: -291.818661
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -67.630
flat angles C4'-P-C4' energy: -77.884
flat angles P-C4'-P energy: -53.008
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1828.837333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.837333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.837333 (E_RNA)
where:
Base-Base interactions energy: -1296.474
where: short stacking energy: -524.118
Base-Backbone interact. energy: -1.020
local terms energy: -531.343482
where:
bonds (distance) C4'-P energy: -94.176
bonds (distance) P-C4' energy: -90.109
flat angles C4'-P-C4' energy: -116.106
flat angles P-C4'-P energy: -76.700
tors. eta vs tors. theta energy: -154.253
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: 146
Temperature: 0.950000
Total energy: -1740.532359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.532359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.532359 (E_RNA)
where:
Base-Base interactions energy: -1216.822
where: short stacking energy: -500.289
Base-Backbone interact. energy: -1.825
local terms energy: -521.885662
where:
bonds (distance) C4'-P energy: -98.515
bonds (distance) P-C4' energy: -93.502
flat angles C4'-P-C4' energy: -113.575
flat angles P-C4'-P energy: -75.289
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: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1686.381840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.381840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.381840 (E_RNA)
where:
Base-Base interactions energy: -1172.547
where: short stacking energy: -483.313
Base-Backbone interact. energy: -1.414
local terms energy: -512.420872
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -104.181
flat angles C4'-P-C4' energy: -103.408
flat angles P-C4'-P energy: -69.840
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: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1661.549310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.549310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.549310 (E_RNA)
where:
Base-Base interactions energy: -1169.891
where: short stacking energy: -492.739
Base-Backbone interact. energy: -1.279
local terms energy: -490.379137
where:
bonds (distance) C4'-P energy: -93.977
bonds (distance) P-C4' energy: -85.870
flat angles C4'-P-C4' energy: -99.751
flat angles P-C4'-P energy: -71.747
tors. eta vs tors. theta energy: -139.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1652.281563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.281563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.281563 (E_RNA)
where:
Base-Base interactions energy: -1171.277
where: short stacking energy: -482.287
Base-Backbone interact. energy: -1.528
local terms energy: -479.476152
where:
bonds (distance) C4'-P energy: -80.579
bonds (distance) P-C4' energy: -90.391
flat angles C4'-P-C4' energy: -96.074
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -141.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1573.747030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.747030 (E_RNA)
where:
Base-Base interactions energy: -1115.572
where: short stacking energy: -466.008
Base-Backbone interact. energy: -0.262
local terms energy: -457.913076
where:
bonds (distance) C4'-P energy: -84.547
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -99.488
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -132.065
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: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1360.455459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.455459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.455459 (E_RNA)
where:
Base-Base interactions energy: -952.182
where: short stacking energy: -381.572
Base-Backbone interact. energy: -0.236
local terms energy: -408.037054
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -81.751
flat angles C4'-P-C4' energy: -89.457
flat angles P-C4'-P energy: -66.415
tors. eta vs tors. theta energy: -106.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1223.465341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.465341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.465341 (E_RNA)
where:
Base-Base interactions energy: -837.409
where: short stacking energy: -370.675
Base-Backbone interact. energy: -2.541
local terms energy: -383.515112
where:
bonds (distance) C4'-P energy: -75.669
bonds (distance) P-C4' energy: -90.986
flat angles C4'-P-C4' energy: -87.748
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -79.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -953.062717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.062717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.062717 (E_RNA)
where:
Base-Base interactions energy: -631.039
where: short stacking energy: -283.029
Base-Backbone interact. energy: 3.650
local terms energy: -325.673711
where:
bonds (distance) C4'-P energy: -75.293
bonds (distance) P-C4' energy: -80.897
flat angles C4'-P-C4' energy: -73.714
flat angles P-C4'-P energy: -49.142
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -827.506664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.506664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.506664 (E_RNA)
where:
Base-Base interactions energy: -540.988
where: short stacking energy: -222.329
Base-Backbone interact. energy: 7.619
local terms energy: -294.138105
where:
bonds (distance) C4'-P energy: -56.594
bonds (distance) P-C4' energy: -75.925
flat angles C4'-P-C4' energy: -79.994
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1835.887669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.887669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.887669 (E_RNA)
where:
Base-Base interactions energy: -1306.165
where: short stacking energy: -535.463
Base-Backbone interact. energy: 1.161
local terms energy: -530.883544
where:
bonds (distance) C4'-P energy: -87.129
bonds (distance) P-C4' energy: -100.952
flat angles C4'-P-C4' energy: -106.350
flat angles P-C4'-P energy: -84.056
tors. eta vs tors. theta energy: -152.397
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: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1713.856318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.856318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.856318 (E_RNA)
where:
Base-Base interactions energy: -1193.761
where: short stacking energy: -490.864
Base-Backbone interact. energy: -2.754
local terms energy: -517.341598
where:
bonds (distance) C4'-P energy: -94.712
bonds (distance) P-C4' energy: -94.383
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -78.804
tors. eta vs tors. theta energy: -131.269
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: 147
Temperature: 1.000000
Total energy: -1705.857301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.857301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.857301 (E_RNA)
where:
Base-Base interactions energy: -1187.452
where: short stacking energy: -492.962
Base-Backbone interact. energy: -2.056
local terms energy: -516.349094
where:
bonds (distance) C4'-P energy: -98.825
bonds (distance) P-C4' energy: -100.892
flat angles C4'-P-C4' energy: -102.886
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -142.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1684.433747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.433747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.433747 (E_RNA)
where:
Base-Base interactions energy: -1201.342
where: short stacking energy: -492.166
Base-Backbone interact. energy: -3.080
local terms energy: -480.011502
where:
bonds (distance) C4'-P energy: -81.226
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -107.736
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -141.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1610.209677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.209677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.209677 (E_RNA)
where:
Base-Base interactions energy: -1138.392
where: short stacking energy: -471.604
Base-Backbone interact. energy: -0.881
local terms energy: -470.936346
where:
bonds (distance) C4'-P energy: -85.612
bonds (distance) P-C4' energy: -86.536
flat angles C4'-P-C4' energy: -98.097
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -128.619
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: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1541.751306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.751306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.751306 (E_RNA)
where:
Base-Base interactions energy: -1047.261
where: short stacking energy: -447.442
Base-Backbone interact. energy: -0.223
local terms energy: -494.266723
where:
bonds (distance) C4'-P energy: -87.543
bonds (distance) P-C4' energy: -98.786
flat angles C4'-P-C4' energy: -98.596
flat angles P-C4'-P energy: -75.922
tors. eta vs tors. theta energy: -133.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1333.922211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.922211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.922211 (E_RNA)
where:
Base-Base interactions energy: -938.670
where: short stacking energy: -379.140
Base-Backbone interact. energy: -5.300
local terms energy: -389.952469
where:
bonds (distance) C4'-P energy: -77.395
bonds (distance) P-C4' energy: -85.846
flat angles C4'-P-C4' energy: -85.597
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -94.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1175.623062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.623062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.623062 (E_RNA)
where:
Base-Base interactions energy: -779.026
where: short stacking energy: -343.884
Base-Backbone interact. energy: 0.104
local terms energy: -396.701178
where:
bonds (distance) C4'-P energy: -87.370
bonds (distance) P-C4' energy: -75.820
flat angles C4'-P-C4' energy: -86.933
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -85.233
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: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -975.663028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.663028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.663028 (E_RNA)
where:
Base-Base interactions energy: -602.825
where: short stacking energy: -253.238
Base-Backbone interact. energy: -1.304
local terms energy: -371.534605
where:
bonds (distance) C4'-P energy: -95.273
bonds (distance) P-C4' energy: -81.710
flat angles C4'-P-C4' energy: -80.040
flat angles P-C4'-P energy: -62.097
tors. eta vs tors. theta energy: -52.414
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: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -856.371941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.371941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.371941 (E_RNA)
where:
Base-Base interactions energy: -549.471
where: short stacking energy: -237.693
Base-Backbone interact. energy: -0.300
local terms energy: -306.600907
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -80.084
flat angles C4'-P-C4' energy: -75.334
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -43.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1845.419189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.419189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.419189 (E_RNA)
where:
Base-Base interactions energy: -1289.328
where: short stacking energy: -519.842
Base-Backbone interact. energy: -1.652
local terms energy: -554.439670
where:
bonds (distance) C4'-P energy: -106.382
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -118.558
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -161.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1739.087750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.087750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.087750 (E_RNA)
where:
Base-Base interactions energy: -1221.659
where: short stacking energy: -507.114
Base-Backbone interact. energy: 0.031
local terms energy: -517.459546
where:
bonds (distance) C4'-P energy: -86.166
bonds (distance) P-C4' energy: -95.506
flat angles C4'-P-C4' energy: -113.394
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -144.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1715.033947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.033947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.033947 (E_RNA)
where:
Base-Base interactions energy: -1182.322
where: short stacking energy: -499.119
Base-Backbone interact. energy: -0.557
local terms energy: -532.155584
where:
bonds (distance) C4'-P energy: -92.884
bonds (distance) P-C4' energy: -101.327
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -78.750
tors. eta vs tors. theta energy: -145.581
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: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1694.166899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.166899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.166899 (E_RNA)
where:
Base-Base interactions energy: -1206.693
where: short stacking energy: -485.569
Base-Backbone interact. energy: -0.424
local terms energy: -487.049905
where:
bonds (distance) C4'-P energy: -84.858
bonds (distance) P-C4' energy: -78.127
flat angles C4'-P-C4' energy: -116.583
flat angles P-C4'-P energy: -67.749
tors. eta vs tors. theta energy: -139.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1580.828111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.828111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.828111 (E_RNA)
where:
Base-Base interactions energy: -1109.211
where: short stacking energy: -467.642
Base-Backbone interact. energy: 0.402
local terms energy: -472.018817
where:
bonds (distance) C4'-P energy: -90.493
bonds (distance) P-C4' energy: -86.871
flat angles C4'-P-C4' energy: -93.276
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: -134.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1589.296018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.296018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.296018 (E_RNA)
where:
Base-Base interactions energy: -1113.478
where: short stacking energy: -465.499
Base-Backbone interact. energy: -0.220
local terms energy: -475.597921
where:
bonds (distance) C4'-P energy: -86.073
bonds (distance) P-C4' energy: -78.958
flat angles C4'-P-C4' energy: -98.436
flat angles P-C4'-P energy: -76.941
tors. eta vs tors. theta energy: -135.190
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1362.214315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.214315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.214315 (E_RNA)
where:
Base-Base interactions energy: -930.613
where: short stacking energy: -376.168
Base-Backbone interact. energy: -2.025
local terms energy: -429.577007
where:
bonds (distance) C4'-P energy: -79.599
bonds (distance) P-C4' energy: -94.367
flat angles C4'-P-C4' energy: -104.003
flat angles P-C4'-P energy: -63.399
tors. eta vs tors. theta energy: -88.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1127.412265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.412265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.412265 (E_RNA)
where:
Base-Base interactions energy: -774.624
where: short stacking energy: -314.686
Base-Backbone interact. energy: 0.619
local terms energy: -353.408075
where:
bonds (distance) C4'-P energy: -76.294
bonds (distance) P-C4' energy: -76.815
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -47.991
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -976.284163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.284163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.284163 (E_RNA)
where:
Base-Base interactions energy: -632.288
where: short stacking energy: -288.517
Base-Backbone interact. energy: 0.617
local terms energy: -344.613830
where:
bonds (distance) C4'-P energy: -77.233
bonds (distance) P-C4' energy: -80.767
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -55.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -810.215958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.215958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.215958 (E_RNA)
where:
Base-Base interactions energy: -501.809
where: short stacking energy: -224.227
Base-Backbone interact. energy: 0.000
local terms energy: -308.406826
where:
bonds (distance) C4'-P energy: -81.329
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1840.148908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.148908 (E_RNA)
where:
Base-Base interactions energy: -1287.722
where: short stacking energy: -537.728
Base-Backbone interact. energy: -2.262
local terms energy: -550.165292
where:
bonds (distance) C4'-P energy: -96.155
bonds (distance) P-C4' energy: -106.591
flat angles C4'-P-C4' energy: -112.187
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -154.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1779.942593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.942593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.942593 (E_RNA)
where:
Base-Base interactions energy: -1247.227
where: short stacking energy: -518.862
Base-Backbone interact. energy: -2.099
local terms energy: -530.616821
where:
bonds (distance) C4'-P energy: -92.090
bonds (distance) P-C4' energy: -90.563
flat angles C4'-P-C4' energy: -111.806
flat angles P-C4'-P energy: -87.003
tors. eta vs tors. theta energy: -149.155
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1714.766886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.766886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.766886 (E_RNA)
where:
Base-Base interactions energy: -1206.078
where: short stacking energy: -498.587
Base-Backbone interact. energy: -2.314
local terms energy: -506.375125
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -98.328
flat angles C4'-P-C4' energy: -107.418
flat angles P-C4'-P energy: -68.011
tors. eta vs tors. theta energy: -141.513
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: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1708.922468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.922468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.922468 (E_RNA)
where:
Base-Base interactions energy: -1203.786
where: short stacking energy: -495.644
Base-Backbone interact. energy: -1.128
local terms energy: -504.008387
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -98.001
flat angles C4'-P-C4' energy: -109.091
flat angles P-C4'-P energy: -70.477
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: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1559.059034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.059034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.059034 (E_RNA)
where:
Base-Base interactions energy: -1054.351
where: short stacking energy: -456.994
Base-Backbone interact. energy: -0.814
local terms energy: -503.894078
where:
bonds (distance) C4'-P energy: -94.760
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -108.889
flat angles P-C4'-P energy: -80.746
tors. eta vs tors. theta energy: -128.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1616.712277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.712277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.712277 (E_RNA)
where:
Base-Base interactions energy: -1131.498
where: short stacking energy: -464.110
Base-Backbone interact. energy: -1.985
local terms energy: -483.229377
where:
bonds (distance) C4'-P energy: -87.046
bonds (distance) P-C4' energy: -83.836
flat angles C4'-P-C4' energy: -111.516
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -130.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1362.161651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.161651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.161651 (E_RNA)
where:
Base-Base interactions energy: -920.270
where: short stacking energy: -404.678
Base-Backbone interact. energy: -0.329
local terms energy: -441.562763
where:
bonds (distance) C4'-P energy: -92.304
bonds (distance) P-C4' energy: -81.107
flat angles C4'-P-C4' energy: -95.428
flat angles P-C4'-P energy: -71.116
tors. eta vs tors. theta energy: -101.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1139.689883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.689883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.689883 (E_RNA)
where:
Base-Base interactions energy: -762.454
where: short stacking energy: -322.578
Base-Backbone interact. energy: -2.587
local terms energy: -374.649243
where:
bonds (distance) C4'-P energy: -69.872
bonds (distance) P-C4' energy: -77.801
flat angles C4'-P-C4' energy: -84.979
flat angles P-C4'-P energy: -70.869
tors. eta vs tors. theta energy: -71.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1027.513233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.513233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.513233 (E_RNA)
where:
Base-Base interactions energy: -687.912
where: short stacking energy: -295.946
Base-Backbone interact. energy: -0.201
local terms energy: -339.400263
where:
bonds (distance) C4'-P energy: -60.540
bonds (distance) P-C4' energy: -66.811
flat angles C4'-P-C4' energy: -97.398
flat angles P-C4'-P energy: -52.768
tors. eta vs tors. theta energy: -61.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -871.407090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.407090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.407090 (E_RNA)
where:
Base-Base interactions energy: -547.002
where: short stacking energy: -239.061
Base-Backbone interact. energy: 0.351
local terms energy: -324.755362
where:
bonds (distance) C4'-P energy: -82.921
bonds (distance) P-C4' energy: -80.669
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -54.859
tors. eta vs tors. theta energy: -31.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1860.078760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.078760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.078760 (E_RNA)
where:
Base-Base interactions energy: -1334.968
where: short stacking energy: -542.282
Base-Backbone interact. energy: -1.101
local terms energy: -524.008864
where:
bonds (distance) C4'-P energy: -90.676
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -105.694
flat angles P-C4'-P energy: -82.394
tors. eta vs tors. theta energy: -149.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1757.736573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.736573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.736573 (E_RNA)
where:
Base-Base interactions energy: -1241.793
where: short stacking energy: -541.594
Base-Backbone interact. energy: 0.049
local terms energy: -515.992703
where:
bonds (distance) C4'-P energy: -82.570
bonds (distance) P-C4' energy: -92.136
flat angles C4'-P-C4' energy: -115.802
flat angles P-C4'-P energy: -71.267
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: 150
Temperature: 1.000000
Total energy: -1721.102232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.102232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.102232 (E_RNA)
where:
Base-Base interactions energy: -1203.643
where: short stacking energy: -495.377
Base-Backbone interact. energy: -0.861
local terms energy: -516.598182
where:
bonds (distance) C4'-P energy: -90.487
bonds (distance) P-C4' energy: -89.913
flat angles C4'-P-C4' energy: -111.186
flat angles P-C4'-P energy: -78.052
tors. eta vs tors. theta energy: -146.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1662.840130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.840130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.840130 (E_RNA)
where:
Base-Base interactions energy: -1165.588
where: short stacking energy: -481.095
Base-Backbone interact. energy: -1.870
local terms energy: -495.382628
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -109.341
flat angles P-C4'-P energy: -69.821
tors. eta vs tors. theta energy: -141.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1624.359904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.359904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.359904 (E_RNA)
where:
Base-Base interactions energy: -1140.051
where: short stacking energy: -445.773
Base-Backbone interact. energy: -2.493
local terms energy: -481.815310
where:
bonds (distance) C4'-P energy: -79.157
bonds (distance) P-C4' energy: -86.720
flat angles C4'-P-C4' energy: -109.756
flat angles P-C4'-P energy: -67.462
tors. eta vs tors. theta energy: -138.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1480.731629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.731629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.731629 (E_RNA)
where:
Base-Base interactions energy: -1043.358
where: short stacking energy: -444.689
Base-Backbone interact. energy: 5.079
local terms energy: -442.452670
where:
bonds (distance) C4'-P energy: -80.333
bonds (distance) P-C4' energy: -87.050
flat angles C4'-P-C4' energy: -94.629
flat angles P-C4'-P energy: -66.426
tors. eta vs tors. theta energy: -114.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1372.640464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.640464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.640464 (E_RNA)
where:
Base-Base interactions energy: -971.420
where: short stacking energy: -393.453
Base-Backbone interact. energy: -0.772
local terms energy: -400.448244
where:
bonds (distance) C4'-P energy: -77.600
bonds (distance) P-C4' energy: -80.346
flat angles C4'-P-C4' energy: -94.082
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -98.037
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: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1197.840481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.840481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.840481 (E_RNA)
where:
Base-Base interactions energy: -822.949
where: short stacking energy: -347.463
Base-Backbone interact. energy: -0.294
local terms energy: -374.596624
where:
bonds (distance) C4'-P energy: -69.257
bonds (distance) P-C4' energy: -84.781
flat angles C4'-P-C4' energy: -88.090
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1068.973286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.973286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.973286 (E_RNA)
where:
Base-Base interactions energy: -706.555
where: short stacking energy: -292.086
Base-Backbone interact. energy: -1.358
local terms energy: -361.060107
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -69.050
flat angles C4'-P-C4' energy: -80.799
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -66.585
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -925.257957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.257957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.257957 (E_RNA)
where:
Base-Base interactions energy: -605.649
where: short stacking energy: -255.088
Base-Backbone interact. energy: -1.791
local terms energy: -317.818631
where:
bonds (distance) C4'-P energy: -69.913
bonds (distance) P-C4' energy: -84.067
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: -34.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1842.793559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.793559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.793559 (E_RNA)
where:
Base-Base interactions energy: -1321.165
where: short stacking energy: -546.866
Base-Backbone interact. energy: -1.814
local terms energy: -519.813985
where:
bonds (distance) C4'-P energy: -97.881
bonds (distance) P-C4' energy: -86.851
flat angles C4'-P-C4' energy: -105.344
flat angles P-C4'-P energy: -73.064
tors. eta vs tors. theta energy: -156.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1747.358077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.358077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.358077 (E_RNA)
where:
Base-Base interactions energy: -1243.646
where: short stacking energy: -510.687
Base-Backbone interact. energy: -1.649
local terms energy: -502.063415
where:
bonds (distance) C4'-P energy: -82.617
bonds (distance) P-C4' energy: -94.352
flat angles C4'-P-C4' energy: -110.184
flat angles P-C4'-P energy: -80.170
tors. eta vs tors. theta energy: -134.740
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: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1713.478890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.478890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.478890 (E_RNA)
where:
Base-Base interactions energy: -1199.227
where: short stacking energy: -526.882
Base-Backbone interact. energy: -0.449
local terms energy: -513.803245
where:
bonds (distance) C4'-P energy: -91.657
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -104.708
flat angles P-C4'-P energy: -65.866
tors. eta vs tors. theta energy: -152.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1646.598104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.598104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.598104 (E_RNA)
where:
Base-Base interactions energy: -1158.129
where: short stacking energy: -476.708
Base-Backbone interact. energy: -0.858
local terms energy: -487.610575
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -86.745
flat angles C4'-P-C4' energy: -107.072
flat angles P-C4'-P energy: -73.728
tors. eta vs tors. theta energy: -137.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1617.945745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.945745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.945745 (E_RNA)
where:
Base-Base interactions energy: -1120.998
where: short stacking energy: -462.155
Base-Backbone interact. energy: -2.745
local terms energy: -494.202120
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -105.483
flat angles P-C4'-P energy: -72.221
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: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1488.459102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.459102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.459102 (E_RNA)
where:
Base-Base interactions energy: -1044.198
where: short stacking energy: -440.880
Base-Backbone interact. energy: 0.198
local terms energy: -444.459376
where:
bonds (distance) C4'-P energy: -72.140
bonds (distance) P-C4' energy: -95.953
flat angles C4'-P-C4' energy: -88.937
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -119.772
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1385.873646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.873646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.873646 (E_RNA)
where:
Base-Base interactions energy: -930.687
where: short stacking energy: -388.977
Base-Backbone interact. energy: -0.314
local terms energy: -454.872764
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -99.082
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -111.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1259.536426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.536426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.536426 (E_RNA)
where:
Base-Base interactions energy: -855.180
where: short stacking energy: -377.270
Base-Backbone interact. energy: 4.137
local terms energy: -408.493423
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -91.887
flat angles C4'-P-C4' energy: -82.071
flat angles P-C4'-P energy: -70.379
tors. eta vs tors. theta energy: -93.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1070.143128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.143128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.143128 (E_RNA)
where:
Base-Base interactions energy: -691.652
where: short stacking energy: -314.513
Base-Backbone interact. energy: -1.256
local terms energy: -377.234970
where:
bonds (distance) C4'-P energy: -79.349
bonds (distance) P-C4' energy: -85.929
flat angles C4'-P-C4' energy: -85.602
flat angles P-C4'-P energy: -56.751
tors. eta vs tors. theta energy: -69.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -893.655389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.655389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.655389 (E_RNA)
where:
Base-Base interactions energy: -576.979
where: short stacking energy: -248.019
Base-Backbone interact. energy: -2.030
local terms energy: -314.646674
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -83.505
flat angles C4'-P-C4' energy: -69.905
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1860.743078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.743078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.743078 (E_RNA)
where:
Base-Base interactions energy: -1323.397
where: short stacking energy: -553.554
Base-Backbone interact. energy: -2.938
local terms energy: -534.407992
where:
bonds (distance) C4'-P energy: -99.008
bonds (distance) P-C4' energy: -92.721
flat angles C4'-P-C4' energy: -105.227
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -162.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1759.496902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.496902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.496902 (E_RNA)
where:
Base-Base interactions energy: -1262.576
where: short stacking energy: -528.871
Base-Backbone interact. energy: -1.915
local terms energy: -495.006104
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -90.780
flat angles C4'-P-C4' energy: -108.971
flat angles P-C4'-P energy: -77.894
tors. eta vs tors. theta energy: -134.383
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1740.158550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.158550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.158550 (E_RNA)
where:
Base-Base interactions energy: -1218.909
where: short stacking energy: -525.776
Base-Backbone interact. energy: -0.979
local terms energy: -520.270843
where:
bonds (distance) C4'-P energy: -88.690
bonds (distance) P-C4' energy: -96.564
flat angles C4'-P-C4' energy: -111.839
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -147.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1633.175525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.175525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.175525 (E_RNA)
where:
Base-Base interactions energy: -1148.083
where: short stacking energy: -485.134
Base-Backbone interact. energy: -1.342
local terms energy: -483.750244
where:
bonds (distance) C4'-P energy: -82.911
bonds (distance) P-C4' energy: -80.802
flat angles C4'-P-C4' energy: -105.759
flat angles P-C4'-P energy: -72.842
tors. eta vs tors. theta energy: -141.436
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1608.923474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.923474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.923474 (E_RNA)
where:
Base-Base interactions energy: -1142.903
where: short stacking energy: -482.438
Base-Backbone interact. energy: -0.643
local terms energy: -465.377050
where:
bonds (distance) C4'-P energy: -80.562
bonds (distance) P-C4' energy: -88.758
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -62.570
tors. eta vs tors. theta energy: -134.157
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: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1521.492092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.492092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.492092 (E_RNA)
where:
Base-Base interactions energy: -1059.788
where: short stacking energy: -443.462
Base-Backbone interact. energy: -1.436
local terms energy: -460.267768
where:
bonds (distance) C4'-P energy: -91.275
bonds (distance) P-C4' energy: -89.551
flat angles C4'-P-C4' energy: -90.796
flat angles P-C4'-P energy: -53.807
tors. eta vs tors. theta energy: -134.839
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: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1412.645410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.645410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.645410 (E_RNA)
where:
Base-Base interactions energy: -956.854
where: short stacking energy: -407.801
Base-Backbone interact. energy: -2.211
local terms energy: -453.580585
where:
bonds (distance) C4'-P energy: -86.808
bonds (distance) P-C4' energy: -99.848
flat angles C4'-P-C4' energy: -106.918
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -107.717
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: 152
Temperature: 1.250000
Total energy: -1284.722894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.722894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.722894 (E_RNA)
where:
Base-Base interactions energy: -873.676
where: short stacking energy: -368.749
Base-Backbone interact. energy: -0.982
local terms energy: -410.065433
where:
bonds (distance) C4'-P energy: -80.487
bonds (distance) P-C4' energy: -71.158
flat angles C4'-P-C4' energy: -89.147
flat angles P-C4'-P energy: -64.935
tors. eta vs tors. theta energy: -104.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1121.344768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.344768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.344768 (E_RNA)
where:
Base-Base interactions energy: -759.985
where: short stacking energy: -291.834
Base-Backbone interact. energy: -1.344
local terms energy: -360.015980
where:
bonds (distance) C4'-P energy: -76.176
bonds (distance) P-C4' energy: -80.963
flat angles C4'-P-C4' energy: -85.429
flat angles P-C4'-P energy: -54.166
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -928.165581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.165581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.165581 (E_RNA)
where:
Base-Base interactions energy: -596.871
where: short stacking energy: -266.731
Base-Backbone interact. energy: -2.549
local terms energy: -328.745179
where:
bonds (distance) C4'-P energy: -76.438
bonds (distance) P-C4' energy: -85.150
flat angles C4'-P-C4' energy: -81.251
flat angles P-C4'-P energy: -38.870
tors. eta vs tors. theta energy: -47.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1873.733460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.733460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.733460 (E_RNA)
where:
Base-Base interactions energy: -1326.820
where: short stacking energy: -549.668
Base-Backbone interact. energy: 0.128
local terms energy: -547.041424
where:
bonds (distance) C4'-P energy: -99.082
bonds (distance) P-C4' energy: -96.094
flat angles C4'-P-C4' energy: -115.386
flat angles P-C4'-P energy: -80.605
tors. eta vs tors. theta energy: -155.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1767.520526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.520526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.520526 (E_RNA)
where:
Base-Base interactions energy: -1249.493
where: short stacking energy: -538.852
Base-Backbone interact. energy: -1.396
local terms energy: -516.630958
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -79.585
flat angles C4'-P-C4' energy: -113.297
flat angles P-C4'-P energy: -71.927
tors. eta vs tors. theta energy: -160.104
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: 153
Temperature: 1.000000
Total energy: -1717.782929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.782929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.782929 (E_RNA)
where:
Base-Base interactions energy: -1203.860
where: short stacking energy: -492.821
Base-Backbone interact. energy: -2.123
local terms energy: -511.799822
where:
bonds (distance) C4'-P energy: -91.247
bonds (distance) P-C4' energy: -100.900
flat angles C4'-P-C4' energy: -104.143
flat angles P-C4'-P energy: -74.183
tors. eta vs tors. theta energy: -141.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1623.345106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.345106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.345106 (E_RNA)
where:
Base-Base interactions energy: -1128.878
where: short stacking energy: -485.213
Base-Backbone interact. energy: 0.178
local terms energy: -494.644908
where:
bonds (distance) C4'-P energy: -83.095
bonds (distance) P-C4' energy: -98.677
flat angles C4'-P-C4' energy: -108.836
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -128.686
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: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1620.091356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.091356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.091356 (E_RNA)
where:
Base-Base interactions energy: -1138.396
where: short stacking energy: -466.260
Base-Backbone interact. energy: -3.406
local terms energy: -478.288855
where:
bonds (distance) C4'-P energy: -91.889
bonds (distance) P-C4' energy: -85.700
flat angles C4'-P-C4' energy: -96.582
flat angles P-C4'-P energy: -68.508
tors. eta vs tors. theta energy: -135.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1554.860351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.860351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.860351 (E_RNA)
where:
Base-Base interactions energy: -1072.189
where: short stacking energy: -480.213
Base-Backbone interact. energy: -1.994
local terms energy: -480.677534
where:
bonds (distance) C4'-P energy: -90.171
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -92.884
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -141.805
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: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1378.194634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.194634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.194634 (E_RNA)
where:
Base-Base interactions energy: -956.879
where: short stacking energy: -404.808
Base-Backbone interact. energy: -1.398
local terms energy: -419.917841
where:
bonds (distance) C4'-P energy: -85.716
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -72.883
tors. eta vs tors. theta energy: -105.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1319.655189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.655189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.655189 (E_RNA)
where:
Base-Base interactions energy: -912.510
where: short stacking energy: -381.928
Base-Backbone interact. energy: 1.888
local terms energy: -409.033288
where:
bonds (distance) C4'-P energy: -75.185
bonds (distance) P-C4' energy: -75.988
flat angles C4'-P-C4' energy: -98.474
flat angles P-C4'-P energy: -53.689
tors. eta vs tors. theta energy: -105.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1178.887723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.887723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.887723 (E_RNA)
where:
Base-Base interactions energy: -827.158
where: short stacking energy: -350.368
Base-Backbone interact. energy: 7.144
local terms energy: -358.873741
where:
bonds (distance) C4'-P energy: -72.054
bonds (distance) P-C4' energy: -75.274
flat angles C4'-P-C4' energy: -86.524
flat angles P-C4'-P energy: -49.693
tors. eta vs tors. theta energy: -75.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -947.759376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.759376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.759376 (E_RNA)
where:
Base-Base interactions energy: -608.747
where: short stacking energy: -279.326
Base-Backbone interact. energy: -2.107
local terms energy: -336.906042
where:
bonds (distance) C4'-P energy: -83.994
bonds (distance) P-C4' energy: -80.249
flat angles C4'-P-C4' energy: -72.216
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -49.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1865.549481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.549481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.549481 (E_RNA)
where:
Base-Base interactions energy: -1322.471
where: short stacking energy: -530.184
Base-Backbone interact. energy: -3.873
local terms energy: -539.205384
where:
bonds (distance) C4'-P energy: -85.946
bonds (distance) P-C4' energy: -102.175
flat angles C4'-P-C4' energy: -112.207
flat angles P-C4'-P energy: -82.867
tors. eta vs tors. theta energy: -156.010
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: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1733.911246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.911246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.911246 (E_RNA)
where:
Base-Base interactions energy: -1218.190
where: short stacking energy: -503.234
Base-Backbone interact. energy: -1.365
local terms energy: -514.355789
where:
bonds (distance) C4'-P energy: -94.853
bonds (distance) P-C4' energy: -94.297
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -75.405
tors. eta vs tors. theta energy: -135.475
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: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1704.594923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.594923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.594923 (E_RNA)
where:
Base-Base interactions energy: -1206.293
where: short stacking energy: -473.307
Base-Backbone interact. energy: -1.981
local terms energy: -496.320845
where:
bonds (distance) C4'-P energy: -91.629
bonds (distance) P-C4' energy: -93.411
flat angles C4'-P-C4' energy: -108.019
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -138.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1605.807237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.807237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.807237 (E_RNA)
where:
Base-Base interactions energy: -1117.622
where: short stacking energy: -463.006
Base-Backbone interact. energy: -2.215
local terms energy: -485.970053
where:
bonds (distance) C4'-P energy: -86.423
bonds (distance) P-C4' energy: -95.845
flat angles C4'-P-C4' energy: -101.750
flat angles P-C4'-P energy: -71.682
tors. eta vs tors. theta energy: -130.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1598.863637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.863637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.863637 (E_RNA)
where:
Base-Base interactions energy: -1122.911
where: short stacking energy: -469.053
Base-Backbone interact. energy: -0.979
local terms energy: -474.972999
where:
bonds (distance) C4'-P energy: -81.560
bonds (distance) P-C4' energy: -81.926
flat angles C4'-P-C4' energy: -100.056
flat angles P-C4'-P energy: -73.409
tors. eta vs tors. theta energy: -138.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1576.853006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.853006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.853006 (E_RNA)
where:
Base-Base interactions energy: -1103.060
where: short stacking energy: -482.973
Base-Backbone interact. energy: -1.466
local terms energy: -472.327244
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -93.220
flat angles C4'-P-C4' energy: -100.026
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: -139.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1353.806498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.806498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.806498 (E_RNA)
where:
Base-Base interactions energy: -917.883
where: short stacking energy: -397.912
Base-Backbone interact. energy: -3.283
local terms energy: -432.640383
where:
bonds (distance) C4'-P energy: -87.345
bonds (distance) P-C4' energy: -92.062
flat angles C4'-P-C4' energy: -92.108
flat angles P-C4'-P energy: -53.185
tors. eta vs tors. theta energy: -107.940
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: 154
Temperature: 1.250000
Total energy: -1294.183176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.183176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.183176 (E_RNA)
where:
Base-Base interactions energy: -894.053
where: short stacking energy: -370.529
Base-Backbone interact. energy: -3.590
local terms energy: -396.540064
where:
bonds (distance) C4'-P energy: -82.659
bonds (distance) P-C4' energy: -81.011
flat angles C4'-P-C4' energy: -89.602
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -95.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1183.418363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.418363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.418363 (E_RNA)
where:
Base-Base interactions energy: -807.661
where: short stacking energy: -332.034
Base-Backbone interact. energy: -0.668
local terms energy: -375.090289
where:
bonds (distance) C4'-P energy: -86.455
bonds (distance) P-C4' energy: -85.573
flat angles C4'-P-C4' energy: -73.546
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -80.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -885.862290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.862290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.862290 (E_RNA)
where:
Base-Base interactions energy: -555.656
where: short stacking energy: -234.980
Base-Backbone interact. energy: -2.036
local terms energy: -328.170814
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -89.436
flat angles C4'-P-C4' energy: -83.227
flat angles P-C4'-P energy: -50.434
tors. eta vs tors. theta energy: -42.788
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: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1850.911013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.911013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.911013 (E_RNA)
where:
Base-Base interactions energy: -1308.692
where: short stacking energy: -519.777
Base-Backbone interact. energy: -2.707
local terms energy: -539.512261
where:
bonds (distance) C4'-P energy: -98.563
bonds (distance) P-C4' energy: -107.549
flat angles C4'-P-C4' energy: -105.834
flat angles P-C4'-P energy: -77.054
tors. eta vs tors. theta energy: -150.512
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: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1750.036068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.036068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.036068 (E_RNA)
where:
Base-Base interactions energy: -1215.949
where: short stacking energy: -486.952
Base-Backbone interact. energy: -1.476
local terms energy: -532.611005
where:
bonds (distance) C4'-P energy: -103.583
bonds (distance) P-C4' energy: -97.516
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -83.960
tors. eta vs tors. theta energy: -133.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1697.303193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.303193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.303193 (E_RNA)
where:
Base-Base interactions energy: -1186.350
where: short stacking energy: -497.464
Base-Backbone interact. energy: -1.958
local terms energy: -508.995898
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -91.615
flat angles C4'-P-C4' energy: -108.410
flat angles P-C4'-P energy: -77.017
tors. eta vs tors. theta energy: -141.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1649.165383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.165383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.165383 (E_RNA)
where:
Base-Base interactions energy: -1147.060
where: short stacking energy: -495.761
Base-Backbone interact. energy: -1.148
local terms energy: -500.957253
where:
bonds (distance) C4'-P energy: -98.069
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -101.806
flat angles P-C4'-P energy: -58.023
tors. eta vs tors. theta energy: -146.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1567.816779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.816779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.816779 (E_RNA)
where:
Base-Base interactions energy: -1114.916
where: short stacking energy: -450.914
Base-Backbone interact. energy: -0.347
local terms energy: -452.554705
where:
bonds (distance) C4'-P energy: -75.476
bonds (distance) P-C4' energy: -83.517
flat angles C4'-P-C4' energy: -94.845
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -127.492
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: 155
Temperature: 1.150000
Total energy: -1516.733451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.733451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.733451 (E_RNA)
where:
Base-Base interactions energy: -1043.983
where: short stacking energy: -454.008
Base-Backbone interact. energy: -2.817
local terms energy: -469.933593
where:
bonds (distance) C4'-P energy: -88.804
bonds (distance) P-C4' energy: -93.701
flat angles C4'-P-C4' energy: -99.294
flat angles P-C4'-P energy: -57.408
tors. eta vs tors. theta energy: -130.727
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1373.966285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.966285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.966285 (E_RNA)
where:
Base-Base interactions energy: -938.104
where: short stacking energy: -387.359
Base-Backbone interact. energy: -1.007
local terms energy: -434.855290
where:
bonds (distance) C4'-P energy: -82.220
bonds (distance) P-C4' energy: -81.100
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -66.776
tors. eta vs tors. theta energy: -104.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1266.592950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.592950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.592950 (E_RNA)
where:
Base-Base interactions energy: -848.443
where: short stacking energy: -339.637
Base-Backbone interact. energy: -3.345
local terms energy: -414.804674
where:
bonds (distance) C4'-P energy: -75.450
bonds (distance) P-C4' energy: -82.369
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -77.855
tors. eta vs tors. theta energy: -82.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1155.888987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.888987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.888987 (E_RNA)
where:
Base-Base interactions energy: -806.603
where: short stacking energy: -344.529
Base-Backbone interact. energy: -0.598
local terms energy: -348.688558
where:
bonds (distance) C4'-P energy: -70.443
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -76.973
flat angles P-C4'-P energy: -48.952
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -881.465914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.465914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.465914 (E_RNA)
where:
Base-Base interactions energy: -565.801
where: short stacking energy: -246.367
Base-Backbone interact. energy: 0.433
local terms energy: -316.098312
where:
bonds (distance) C4'-P energy: -75.140
bonds (distance) P-C4' energy: -93.144
flat angles C4'-P-C4' energy: -71.965
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -36.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1864.715897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.715897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.715897 (E_RNA)
where:
Base-Base interactions energy: -1320.742
where: short stacking energy: -541.647
Base-Backbone interact. energy: -1.486
local terms energy: -542.487815
where:
bonds (distance) C4'-P energy: -101.376
bonds (distance) P-C4' energy: -88.278
flat angles C4'-P-C4' energy: -114.519
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -151.910
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: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1778.014009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.014009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.014009 (E_RNA)
where:
Base-Base interactions energy: -1251.627
where: short stacking energy: -517.946
Base-Backbone interact. energy: 1.727
local terms energy: -528.114221
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -81.861
tors. eta vs tors. theta energy: -147.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1693.955429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.955429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.955429 (E_RNA)
where:
Base-Base interactions energy: -1212.164
where: short stacking energy: -511.964
Base-Backbone interact. energy: 1.252
local terms energy: -483.043797
where:
bonds (distance) C4'-P energy: -75.213
bonds (distance) P-C4' energy: -99.202
flat angles C4'-P-C4' energy: -101.775
flat angles P-C4'-P energy: -72.233
tors. eta vs tors. theta energy: -134.620
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1663.642688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.642688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.642688 (E_RNA)
where:
Base-Base interactions energy: -1178.210
where: short stacking energy: -481.682
Base-Backbone interact. energy: 2.319
local terms energy: -487.751957
where:
bonds (distance) C4'-P energy: -85.724
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -102.056
flat angles P-C4'-P energy: -66.426
tors. eta vs tors. theta energy: -139.168
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: 156
Temperature: 1.100000
Total energy: -1567.567355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.567355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.567355 (E_RNA)
where:
Base-Base interactions energy: -1103.407
where: short stacking energy: -449.912
Base-Backbone interact. energy: 0.307
local terms energy: -464.466914
where:
bonds (distance) C4'-P energy: -80.374
bonds (distance) P-C4' energy: -93.630
flat angles C4'-P-C4' energy: -98.817
flat angles P-C4'-P energy: -66.152
tors. eta vs tors. theta energy: -125.493
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: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1494.219199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.219199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.219199 (E_RNA)
where:
Base-Base interactions energy: -1029.870
where: short stacking energy: -427.255
Base-Backbone interact. energy: 0.069
local terms energy: -464.418662
where:
bonds (distance) C4'-P energy: -80.336
bonds (distance) P-C4' energy: -79.565
flat angles C4'-P-C4' energy: -108.314
flat angles P-C4'-P energy: -68.616
tors. eta vs tors. theta energy: -127.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1323.203429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.203429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.203429 (E_RNA)
where:
Base-Base interactions energy: -900.328
where: short stacking energy: -366.458
Base-Backbone interact. energy: -0.473
local terms energy: -422.402644
where:
bonds (distance) C4'-P energy: -86.190
bonds (distance) P-C4' energy: -93.491
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -61.947
tors. eta vs tors. theta energy: -96.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1336.563033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.563033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.563033 (E_RNA)
where:
Base-Base interactions energy: -934.001
where: short stacking energy: -387.249
Base-Backbone interact. energy: -2.805
local terms energy: -399.756507
where:
bonds (distance) C4'-P energy: -79.227
bonds (distance) P-C4' energy: -85.768
flat angles C4'-P-C4' energy: -86.636
flat angles P-C4'-P energy: -56.720
tors. eta vs tors. theta energy: -91.407
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: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1113.323722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.323722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.323722 (E_RNA)
where:
Base-Base interactions energy: -753.561
where: short stacking energy: -311.181
Base-Backbone interact. energy: -2.246
local terms energy: -357.516546
where:
bonds (distance) C4'-P energy: -68.759
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -88.178
flat angles P-C4'-P energy: -57.769
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: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -919.458531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.458531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.458531 (E_RNA)
where:
Base-Base interactions energy: -612.012
where: short stacking energy: -273.903
Base-Backbone interact. energy: -0.195
local terms energy: -307.251751
where:
bonds (distance) C4'-P energy: -71.939
bonds (distance) P-C4' energy: -81.292
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -48.863
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1888.034535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.034535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.034535 (E_RNA)
where:
Base-Base interactions energy: -1326.254
where: short stacking energy: -553.884
Base-Backbone interact. energy: -3.397
local terms energy: -558.383925
where:
bonds (distance) C4'-P energy: -97.400
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -116.047
flat angles P-C4'-P energy: -88.674
tors. eta vs tors. theta energy: -157.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1795.703562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.703562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.703562 (E_RNA)
where:
Base-Base interactions energy: -1263.673
where: short stacking energy: -520.500
Base-Backbone interact. energy: -1.328
local terms energy: -530.703372
where:
bonds (distance) C4'-P energy: -97.426
bonds (distance) P-C4' energy: -84.358
flat angles C4'-P-C4' energy: -106.839
flat angles P-C4'-P energy: -87.130
tors. eta vs tors. theta energy: -154.951
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: 157
Temperature: 1.000000
Total energy: -1731.386924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.386924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.386924 (E_RNA)
where:
Base-Base interactions energy: -1220.029
where: short stacking energy: -523.238
Base-Backbone interact. energy: -0.619
local terms energy: -510.739450
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -88.786
flat angles C4'-P-C4' energy: -102.055
flat angles P-C4'-P energy: -73.803
tors. eta vs tors. theta energy: -148.398
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1673.000001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.000001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.000001 (E_RNA)
where:
Base-Base interactions energy: -1179.347
where: short stacking energy: -506.755
Base-Backbone interact. energy: 6.743
local terms energy: -500.396135
where:
bonds (distance) C4'-P energy: -88.331
bonds (distance) P-C4' energy: -102.430
flat angles C4'-P-C4' energy: -103.862
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -146.773
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1500.175834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.175834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.175834 (E_RNA)
where:
Base-Base interactions energy: -1032.570
where: short stacking energy: -444.155
Base-Backbone interact. energy: 1.281
local terms energy: -468.887482
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -94.408
flat angles P-C4'-P energy: -63.646
tors. eta vs tors. theta energy: -122.161
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: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1517.078172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.078172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.078172 (E_RNA)
where:
Base-Base interactions energy: -1056.476
where: short stacking energy: -438.731
Base-Backbone interact. energy: -2.578
local terms energy: -458.024166
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -94.056
flat angles C4'-P-C4' energy: -94.413
flat angles P-C4'-P energy: -60.693
tors. eta vs tors. theta energy: -125.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1313.656200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.656200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.656200 (E_RNA)
where:
Base-Base interactions energy: -920.618
where: short stacking energy: -388.920
Base-Backbone interact. energy: 0.019
local terms energy: -393.057400
where:
bonds (distance) C4'-P energy: -78.409
bonds (distance) P-C4' energy: -77.796
flat angles C4'-P-C4' energy: -79.850
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -97.094
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: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1330.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.774737 (E_RNA)
where:
Base-Base interactions energy: -940.072
where: short stacking energy: -400.391
Base-Backbone interact. energy: -0.008
local terms energy: -390.694107
where:
bonds (distance) C4'-P energy: -67.584
bonds (distance) P-C4' energy: -76.210
flat angles C4'-P-C4' energy: -87.085
flat angles P-C4'-P energy: -53.388
tors. eta vs tors. theta energy: -106.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1102.257419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.257419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.257419 (E_RNA)
where:
Base-Base interactions energy: -759.981
where: short stacking energy: -312.257
Base-Backbone interact. energy: -2.044
local terms energy: -340.232232
where:
bonds (distance) C4'-P energy: -72.221
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -61.627
flat angles P-C4'-P energy: -62.385
tors. eta vs tors. theta energy: -73.551
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: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -868.861993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.861993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.861993 (E_RNA)
where:
Base-Base interactions energy: -582.900
where: short stacking energy: -238.680
Base-Backbone interact. energy: -0.958
local terms energy: -285.004261
where:
bonds (distance) C4'-P energy: -80.238
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1863.102167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.102167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.102167 (E_RNA)
where:
Base-Base interactions energy: -1325.832
where: short stacking energy: -547.930
Base-Backbone interact. energy: -4.753
local terms energy: -532.516385
where:
bonds (distance) C4'-P energy: -85.103
bonds (distance) P-C4' energy: -102.228
flat angles C4'-P-C4' energy: -107.023
flat angles P-C4'-P energy: -80.492
tors. eta vs tors. theta energy: -157.670
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: 158
Temperature: 0.950000
Total energy: -1782.644062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.644062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.644062 (E_RNA)
where:
Base-Base interactions energy: -1261.350
where: short stacking energy: -523.032
Base-Backbone interact. energy: -1.543
local terms energy: -519.751329
where:
bonds (distance) C4'-P energy: -90.360
bonds (distance) P-C4' energy: -92.506
flat angles C4'-P-C4' energy: -116.681
flat angles P-C4'-P energy: -78.292
tors. eta vs tors. theta energy: -141.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1669.211788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.211788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.211788 (E_RNA)
where:
Base-Base interactions energy: -1170.933
where: short stacking energy: -492.373
Base-Backbone interact. energy: 0.421
local terms energy: -498.699627
where:
bonds (distance) C4'-P energy: -92.876
bonds (distance) P-C4' energy: -84.645
flat angles C4'-P-C4' energy: -107.164
flat angles P-C4'-P energy: -75.923
tors. eta vs tors. theta energy: -138.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1650.475944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.475944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.475944 (E_RNA)
where:
Base-Base interactions energy: -1156.930
where: short stacking energy: -481.209
Base-Backbone interact. energy: -0.902
local terms energy: -492.644130
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -79.333
flat angles C4'-P-C4' energy: -102.302
flat angles P-C4'-P energy: -81.301
tors. eta vs tors. theta energy: -144.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1571.886553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.886553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.886553 (E_RNA)
where:
Base-Base interactions energy: -1087.641
where: short stacking energy: -465.892
Base-Backbone interact. energy: -1.033
local terms energy: -483.212502
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -90.252
flat angles C4'-P-C4' energy: -104.581
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -131.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1449.490691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.490691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.490691 (E_RNA)
where:
Base-Base interactions energy: -993.384
where: short stacking energy: -405.045
Base-Backbone interact. energy: -1.090
local terms energy: -455.016687
where:
bonds (distance) C4'-P energy: -90.199
bonds (distance) P-C4' energy: -88.375
flat angles C4'-P-C4' energy: -95.680
flat angles P-C4'-P energy: -64.417
tors. eta vs tors. theta energy: -116.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1311.647641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.647641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.647641 (E_RNA)
where:
Base-Base interactions energy: -903.317
where: short stacking energy: -393.041
Base-Backbone interact. energy: -1.099
local terms energy: -407.232142
where:
bonds (distance) C4'-P energy: -72.845
bonds (distance) P-C4' energy: -78.144
flat angles C4'-P-C4' energy: -75.674
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -112.935
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: 158
Temperature: 1.250000
Total energy: -1279.547152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.547152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.547152 (E_RNA)
where:
Base-Base interactions energy: -891.299
where: short stacking energy: -371.697
Base-Backbone interact. energy: -0.306
local terms energy: -387.941815
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -82.990
flat angles C4'-P-C4' energy: -74.795
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: -88.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1114.198076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.198076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.198076 (E_RNA)
where:
Base-Base interactions energy: -723.337
where: short stacking energy: -321.381
Base-Backbone interact. energy: -2.097
local terms energy: -388.764074
where:
bonds (distance) C4'-P energy: -77.519
bonds (distance) P-C4' energy: -88.521
flat angles C4'-P-C4' energy: -90.103
flat angles P-C4'-P energy: -56.140
tors. eta vs tors. theta energy: -76.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -904.913305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.913305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.913305 (E_RNA)
where:
Base-Base interactions energy: -587.635
where: short stacking energy: -247.582
Base-Backbone interact. energy: -2.140
local terms energy: -315.137609
where:
bonds (distance) C4'-P energy: -82.317
bonds (distance) P-C4' energy: -85.383
flat angles C4'-P-C4' energy: -83.186
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -40.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1834.211145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.211145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.211145 (E_RNA)
where:
Base-Base interactions energy: -1304.338
where: short stacking energy: -529.513
Base-Backbone interact. energy: 0.058
local terms energy: -529.931016
where:
bonds (distance) C4'-P energy: -94.741
bonds (distance) P-C4' energy: -96.944
flat angles C4'-P-C4' energy: -114.776
flat angles P-C4'-P energy: -74.968
tors. eta vs tors. theta energy: -148.502
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: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1785.541240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.541240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.541240 (E_RNA)
where:
Base-Base interactions energy: -1252.991
where: short stacking energy: -518.356
Base-Backbone interact. energy: -5.509
local terms energy: -527.040587
where:
bonds (distance) C4'-P energy: -93.800
bonds (distance) P-C4' energy: -96.121
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -76.041
tors. eta vs tors. theta energy: -150.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1739.457067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.457067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.457067 (E_RNA)
where:
Base-Base interactions energy: -1231.986
where: short stacking energy: -514.252
Base-Backbone interact. energy: -1.920
local terms energy: -505.551337
where:
bonds (distance) C4'-P energy: -86.541
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -99.051
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -145.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1666.875979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.875979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.875979 (E_RNA)
where:
Base-Base interactions energy: -1135.881
where: short stacking energy: -489.712
Base-Backbone interact. energy: -1.200
local terms energy: -529.794766
where:
bonds (distance) C4'-P energy: -86.468
bonds (distance) P-C4' energy: -101.183
flat angles C4'-P-C4' energy: -116.074
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -139.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1578.420670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.420670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.420670 (E_RNA)
where:
Base-Base interactions energy: -1103.309
where: short stacking energy: -444.198
Base-Backbone interact. energy: -0.080
local terms energy: -475.031719
where:
bonds (distance) C4'-P energy: -92.718
bonds (distance) P-C4' energy: -95.402
flat angles C4'-P-C4' energy: -102.113
flat angles P-C4'-P energy: -71.355
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: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1481.177914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.177914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.177914 (E_RNA)
where:
Base-Base interactions energy: -1001.502
where: short stacking energy: -432.552
Base-Backbone interact. energy: -2.604
local terms energy: -477.072063
where:
bonds (distance) C4'-P energy: -78.172
bonds (distance) P-C4' energy: -91.817
flat angles C4'-P-C4' energy: -108.633
flat angles P-C4'-P energy: -75.685
tors. eta vs tors. theta energy: -122.765
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: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1333.770738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.770738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.770738 (E_RNA)
where:
Base-Base interactions energy: -913.880
where: short stacking energy: -374.462
Base-Backbone interact. energy: -1.486
local terms energy: -418.405365
where:
bonds (distance) C4'-P energy: -92.824
bonds (distance) P-C4' energy: -69.924
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -60.812
tors. eta vs tors. theta energy: -93.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1245.561337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.561337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.561337 (E_RNA)
where:
Base-Base interactions energy: -851.950
where: short stacking energy: -367.541
Base-Backbone interact. energy: -0.679
local terms energy: -392.931912
where:
bonds (distance) C4'-P energy: -76.411
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -84.822
flat angles P-C4'-P energy: -59.210
tors. eta vs tors. theta energy: -93.632
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1074.844994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.844994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.844994 (E_RNA)
where:
Base-Base interactions energy: -723.991
where: short stacking energy: -316.178
Base-Backbone interact. energy: 0.968
local terms energy: -351.822025
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -86.916
flat angles C4'-P-C4' energy: -78.218
flat angles P-C4'-P energy: -48.839
tors. eta vs tors. theta energy: -71.343
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: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -987.534494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.534494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.534494 (E_RNA)
where:
Base-Base interactions energy: -665.402
where: short stacking energy: -279.005
Base-Backbone interact. energy: 5.441
local terms energy: -327.573570
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -78.441
flat angles C4'-P-C4' energy: -90.129
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -53.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1869.713355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.713355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.713355 (E_RNA)
where:
Base-Base interactions energy: -1313.713
where: short stacking energy: -551.141
Base-Backbone interact. energy: -1.530
local terms energy: -554.471172
where:
bonds (distance) C4'-P energy: -97.031
bonds (distance) P-C4' energy: -100.938
flat angles C4'-P-C4' energy: -114.697
flat angles P-C4'-P energy: -82.006
tors. eta vs tors. theta energy: -159.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1761.608778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.608778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.608778 (E_RNA)
where:
Base-Base interactions energy: -1229.510
where: short stacking energy: -517.734
Base-Backbone interact. energy: -2.448
local terms energy: -529.651488
where:
bonds (distance) C4'-P energy: -85.245
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -113.344
flat angles P-C4'-P energy: -81.202
tors. eta vs tors. theta energy: -157.104
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: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1736.647964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.647964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.647964 (E_RNA)
where:
Base-Base interactions energy: -1233.221
where: short stacking energy: -517.674
Base-Backbone interact. energy: -1.793
local terms energy: -501.633807
where:
bonds (distance) C4'-P energy: -93.013
bonds (distance) P-C4' energy: -78.293
flat angles C4'-P-C4' energy: -105.133
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -146.026
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: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1669.862559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.862559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.862559 (E_RNA)
where:
Base-Base interactions energy: -1180.962
where: short stacking energy: -495.186
Base-Backbone interact. energy: -0.454
local terms energy: -488.446869
where:
bonds (distance) C4'-P energy: -83.647
bonds (distance) P-C4' energy: -94.381
flat angles C4'-P-C4' energy: -106.310
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -140.769
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: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1610.786581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.786581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.786581 (E_RNA)
where:
Base-Base interactions energy: -1119.255
where: short stacking energy: -486.041
Base-Backbone interact. energy: -1.446
local terms energy: -490.085512
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -93.180
flat angles C4'-P-C4' energy: -103.752
flat angles P-C4'-P energy: -73.283
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: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1464.286689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.286689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.286689 (E_RNA)
where:
Base-Base interactions energy: -1012.353
where: short stacking energy: -438.634
Base-Backbone interact. energy: 0.374
local terms energy: -452.308473
where:
bonds (distance) C4'-P energy: -76.919
bonds (distance) P-C4' energy: -92.749
flat angles C4'-P-C4' energy: -96.119
flat angles P-C4'-P energy: -62.213
tors. eta vs tors. theta energy: -124.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1308.999011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.999011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.999011 (E_RNA)
where:
Base-Base interactions energy: -918.133
where: short stacking energy: -381.387
Base-Backbone interact. energy: -1.941
local terms energy: -388.925209
where:
bonds (distance) C4'-P energy: -77.434
bonds (distance) P-C4' energy: -65.805
flat angles C4'-P-C4' energy: -100.291
flat angles P-C4'-P energy: -53.732
tors. eta vs tors. theta energy: -91.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1235.709803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.709803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.709803 (E_RNA)
where:
Base-Base interactions energy: -829.334
where: short stacking energy: -344.000
Base-Backbone interact. energy: -0.156
local terms energy: -406.220213
where:
bonds (distance) C4'-P energy: -87.496
bonds (distance) P-C4' energy: -73.673
flat angles C4'-P-C4' energy: -94.623
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: -93.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1033.469111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.469111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.469111 (E_RNA)
where:
Base-Base interactions energy: -695.000
where: short stacking energy: -287.511
Base-Backbone interact. energy: 0.899
local terms energy: -339.368461
where:
bonds (distance) C4'-P energy: -81.208
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -92.224
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: -56.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -972.187380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.187380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.187380 (E_RNA)
where:
Base-Base interactions energy: -627.243
where: short stacking energy: -263.042
Base-Backbone interact. energy: 1.530
local terms energy: -346.474076
where:
bonds (distance) C4'-P energy: -88.544
bonds (distance) P-C4' energy: -82.564
flat angles C4'-P-C4' energy: -80.982
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1855.332932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.332932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.332932 (E_RNA)
where:
Base-Base interactions energy: -1321.825
where: short stacking energy: -554.344
Base-Backbone interact. energy: -0.958
local terms energy: -532.549541
where:
bonds (distance) C4'-P energy: -102.985
bonds (distance) P-C4' energy: -76.299
flat angles C4'-P-C4' energy: -114.592
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: -154.317
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: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1786.249719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.249719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.249719 (E_RNA)
where:
Base-Base interactions energy: -1257.525
where: short stacking energy: -530.870
Base-Backbone interact. energy: -0.898
local terms energy: -527.825990
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -104.405
flat angles P-C4'-P energy: -86.636
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1742.710051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.710051 (E_RNA)
where:
Base-Base interactions energy: -1228.817
where: short stacking energy: -540.284
Base-Backbone interact. energy: -3.495
local terms energy: -510.398243
where:
bonds (distance) C4'-P energy: -85.505
bonds (distance) P-C4' energy: -86.346
flat angles C4'-P-C4' energy: -117.383
flat angles P-C4'-P energy: -69.501
tors. eta vs tors. theta energy: -151.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1723.095287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.095287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.095287 (E_RNA)
where:
Base-Base interactions energy: -1182.867
where: short stacking energy: -492.568
Base-Backbone interact. energy: 0.785
local terms energy: -541.013113
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -98.796
flat angles C4'-P-C4' energy: -113.788
flat angles P-C4'-P energy: -80.143
tors. eta vs tors. theta energy: -152.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1580.449541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.449541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.449541 (E_RNA)
where:
Base-Base interactions energy: -1108.851
where: short stacking energy: -475.879
Base-Backbone interact. energy: -0.981
local terms energy: -470.618099
where:
bonds (distance) C4'-P energy: -89.824
bonds (distance) P-C4' energy: -78.712
flat angles C4'-P-C4' energy: -101.873
flat angles P-C4'-P energy: -70.608
tors. eta vs tors. theta energy: -129.600
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: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1484.654065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.654065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.654065 (E_RNA)
where:
Base-Base interactions energy: -1020.193
where: short stacking energy: -434.211
Base-Backbone interact. energy: -1.201
local terms energy: -463.259948
where:
bonds (distance) C4'-P energy: -88.409
bonds (distance) P-C4' energy: -84.989
flat angles C4'-P-C4' energy: -107.002
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -115.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1324.005145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.005145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.005145 (E_RNA)
where:
Base-Base interactions energy: -926.423
where: short stacking energy: -386.831
Base-Backbone interact. energy: -1.871
local terms energy: -395.711265
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -70.843
flat angles C4'-P-C4' energy: -88.670
flat angles P-C4'-P energy: -67.114
tors. eta vs tors. theta energy: -109.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1260.147429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.147429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.147429 (E_RNA)
where:
Base-Base interactions energy: -871.226
where: short stacking energy: -356.945
Base-Backbone interact. energy: -1.828
local terms energy: -387.093673
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -92.833
flat angles C4'-P-C4' energy: -79.256
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -89.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1025.242969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.242969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.242969 (E_RNA)
where:
Base-Base interactions energy: -662.297
where: short stacking energy: -288.938
Base-Backbone interact. energy: -1.767
local terms energy: -361.178993
where:
bonds (distance) C4'-P energy: -84.507
bonds (distance) P-C4' energy: -80.584
flat angles C4'-P-C4' energy: -84.506
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -59.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1000.152662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.152662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.152662 (E_RNA)
where:
Base-Base interactions energy: -668.226
where: short stacking energy: -270.926
Base-Backbone interact. energy: 3.625
local terms energy: -335.552078
where:
bonds (distance) C4'-P energy: -76.596
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -83.309
flat angles P-C4'-P energy: -49.731
tors. eta vs tors. theta energy: -55.529
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1866.696490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.696490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.696490 (E_RNA)
where:
Base-Base interactions energy: -1318.091
where: short stacking energy: -534.313
Base-Backbone interact. energy: -1.659
local terms energy: -546.947067
where:
bonds (distance) C4'-P energy: -102.143
bonds (distance) P-C4' energy: -102.432
flat angles C4'-P-C4' energy: -110.646
flat angles P-C4'-P energy: -78.556
tors. eta vs tors. theta energy: -153.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1795.007213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.007213 (E_RNA)
where:
Base-Base interactions energy: -1264.326
where: short stacking energy: -541.857
Base-Backbone interact. energy: -2.294
local terms energy: -528.387572
where:
bonds (distance) C4'-P energy: -91.330
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -109.191
flat angles P-C4'-P energy: -74.987
tors. eta vs tors. theta energy: -158.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1701.119991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.119991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.119991 (E_RNA)
where:
Base-Base interactions energy: -1194.598
where: short stacking energy: -512.786
Base-Backbone interact. energy: 1.235
local terms energy: -507.757069
where:
bonds (distance) C4'-P energy: -83.131
bonds (distance) P-C4' energy: -102.242
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -67.259
tors. eta vs tors. theta energy: -146.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1696.813595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.813595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.813595 (E_RNA)
where:
Base-Base interactions energy: -1192.707
where: short stacking energy: -493.973
Base-Backbone interact. energy: -3.326
local terms energy: -500.780492
where:
bonds (distance) C4'-P energy: -84.350
bonds (distance) P-C4' energy: -93.371
flat angles C4'-P-C4' energy: -107.443
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -144.863
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: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1599.131407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.131407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.131407 (E_RNA)
where:
Base-Base interactions energy: -1106.284
where: short stacking energy: -473.923
Base-Backbone interact. energy: -0.620
local terms energy: -492.227396
where:
bonds (distance) C4'-P energy: -89.579
bonds (distance) P-C4' energy: -95.806
flat angles C4'-P-C4' energy: -97.984
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -132.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1475.567576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.567576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.567576 (E_RNA)
where:
Base-Base interactions energy: -1023.790
where: short stacking energy: -430.345
Base-Backbone interact. energy: 3.177
local terms energy: -454.954835
where:
bonds (distance) C4'-P energy: -86.151
bonds (distance) P-C4' energy: -83.943
flat angles C4'-P-C4' energy: -98.853
flat angles P-C4'-P energy: -64.033
tors. eta vs tors. theta energy: -121.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1308.986746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.986746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.986746 (E_RNA)
where:
Base-Base interactions energy: -872.604
where: short stacking energy: -362.355
Base-Backbone interact. energy: 2.738
local terms energy: -439.120181
where:
bonds (distance) C4'-P energy: -84.201
bonds (distance) P-C4' energy: -90.631
flat angles C4'-P-C4' energy: -97.764
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -102.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1242.403058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.403058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.403058 (E_RNA)
where:
Base-Base interactions energy: -824.991
where: short stacking energy: -348.419
Base-Backbone interact. energy: -1.401
local terms energy: -416.010968
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -82.941
flat angles C4'-P-C4' energy: -100.431
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: -89.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1061.568698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.568698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.568698 (E_RNA)
where:
Base-Base interactions energy: -671.902
where: short stacking energy: -301.645
Base-Backbone interact. energy: 0.785
local terms energy: -390.451570
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -93.583
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -52.841
tors. eta vs tors. theta energy: -82.992
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: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1007.633119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633119 (E_RNA)
where:
Base-Base interactions energy: -700.705
where: short stacking energy: -276.766
Base-Backbone interact. energy: -1.201
local terms energy: -305.727091
where:
bonds (distance) C4'-P energy: -63.031
bonds (distance) P-C4' energy: -78.218
flat angles C4'-P-C4' energy: -69.875
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -46.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1860.360322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.360322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.360322 (E_RNA)
where:
Base-Base interactions energy: -1308.469
where: short stacking energy: -541.469
Base-Backbone interact. energy: -4.133
local terms energy: -547.757945
where:
bonds (distance) C4'-P energy: -97.083
bonds (distance) P-C4' energy: -98.449
flat angles C4'-P-C4' energy: -113.138
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -154.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1805.167172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.167172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.167172 (E_RNA)
where:
Base-Base interactions energy: -1252.172
where: short stacking energy: -521.968
Base-Backbone interact. energy: -3.471
local terms energy: -549.524414
where:
bonds (distance) C4'-P energy: -104.472
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -76.945
tors. eta vs tors. theta energy: -157.820
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: 163
Temperature: 1.000000
Total energy: -1715.180320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.180320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.180320 (E_RNA)
where:
Base-Base interactions energy: -1193.031
where: short stacking energy: -503.052
Base-Backbone interact. energy: -1.309
local terms energy: -520.840608
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -88.852
flat angles C4'-P-C4' energy: -113.272
flat angles P-C4'-P energy: -73.574
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: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1689.635823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.635823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.635823 (E_RNA)
where:
Base-Base interactions energy: -1188.415
where: short stacking energy: -491.652
Base-Backbone interact. energy: 0.661
local terms energy: -501.881546
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -83.732
flat angles C4'-P-C4' energy: -112.937
flat angles P-C4'-P energy: -64.918
tors. eta vs tors. theta energy: -149.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1570.268285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.268285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.268285 (E_RNA)
where:
Base-Base interactions energy: -1113.616
where: short stacking energy: -463.568
Base-Backbone interact. energy: -0.434
local terms energy: -456.218651
where:
bonds (distance) C4'-P energy: -88.654
bonds (distance) P-C4' energy: -87.058
flat angles C4'-P-C4' energy: -96.290
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -133.500
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: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1564.510525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.510525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.510525 (E_RNA)
where:
Base-Base interactions energy: -1087.771
where: short stacking energy: -452.799
Base-Backbone interact. energy: -2.163
local terms energy: -474.576675
where:
bonds (distance) C4'-P energy: -94.921
bonds (distance) P-C4' energy: -79.634
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -69.866
tors. eta vs tors. theta energy: -121.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1285.129266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.129266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.129266 (E_RNA)
where:
Base-Base interactions energy: -859.480
where: short stacking energy: -367.061
Base-Backbone interact. energy: -1.876
local terms energy: -423.772619
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -105.859
flat angles P-C4'-P energy: -54.339
tors. eta vs tors. theta energy: -96.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1297.859476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.859476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.859476 (E_RNA)
where:
Base-Base interactions energy: -918.709
where: short stacking energy: -381.174
Base-Backbone interact. energy: -1.223
local terms energy: -377.927259
where:
bonds (distance) C4'-P energy: -83.406
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -68.658
tors. eta vs tors. theta energy: -91.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1011.456781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.456781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.456781 (E_RNA)
where:
Base-Base interactions energy: -661.215
where: short stacking energy: -303.791
Base-Backbone interact. energy: -1.956
local terms energy: -348.285815
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -78.026
flat angles C4'-P-C4' energy: -80.666
flat angles P-C4'-P energy: -49.722
tors. eta vs tors. theta energy: -66.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -953.904343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.904343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.904343 (E_RNA)
where:
Base-Base interactions energy: -649.182
where: short stacking energy: -266.117
Base-Backbone interact. energy: -0.500
local terms energy: -304.222347
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -85.669
flat angles C4'-P-C4' energy: -76.678
flat angles P-C4'-P energy: -32.585
tors. eta vs tors. theta energy: -40.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1857.701418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.701418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.701418 (E_RNA)
where:
Base-Base interactions energy: -1312.442
where: short stacking energy: -515.231
Base-Backbone interact. energy: -1.924
local terms energy: -543.335326
where:
bonds (distance) C4'-P energy: -100.683
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -111.941
flat angles P-C4'-P energy: -75.621
tors. eta vs tors. theta energy: -157.081
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1799.637155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.637155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.637155 (E_RNA)
where:
Base-Base interactions energy: -1258.589
where: short stacking energy: -516.968
Base-Backbone interact. energy: -2.471
local terms energy: -538.577145
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -75.142
tors. eta vs tors. theta energy: -156.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1744.509000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.509000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.509000 (E_RNA)
where:
Base-Base interactions energy: -1234.731
where: short stacking energy: -509.117
Base-Backbone interact. energy: -1.079
local terms energy: -508.698777
where:
bonds (distance) C4'-P energy: -97.398
bonds (distance) P-C4' energy: -87.979
flat angles C4'-P-C4' energy: -107.444
flat angles P-C4'-P energy: -76.502
tors. eta vs tors. theta energy: -139.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1659.962387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.962387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.962387 (E_RNA)
where:
Base-Base interactions energy: -1166.440
where: short stacking energy: -495.487
Base-Backbone interact. energy: -0.361
local terms energy: -493.161161
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -92.458
flat angles C4'-P-C4' energy: -106.510
flat angles P-C4'-P energy: -73.317
tors. eta vs tors. theta energy: -149.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1574.791688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.791688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.791688 (E_RNA)
where:
Base-Base interactions energy: -1112.677
where: short stacking energy: -463.171
Base-Backbone interact. energy: -1.912
local terms energy: -460.202910
where:
bonds (distance) C4'-P energy: -72.442
bonds (distance) P-C4' energy: -86.348
flat angles C4'-P-C4' energy: -100.541
flat angles P-C4'-P energy: -71.775
tors. eta vs tors. theta energy: -129.096
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: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1534.442985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.442985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.442985 (E_RNA)
where:
Base-Base interactions energy: -1063.767
where: short stacking energy: -447.469
Base-Backbone interact. energy: -1.195
local terms energy: -469.481294
where:
bonds (distance) C4'-P energy: -75.489
bonds (distance) P-C4' energy: -74.350
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -77.798
tors. eta vs tors. theta energy: -134.091
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: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1279.727150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.727150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.727150 (E_RNA)
where:
Base-Base interactions energy: -872.396
where: short stacking energy: -367.908
Base-Backbone interact. energy: -0.881
local terms energy: -406.450507
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -99.590
flat angles C4'-P-C4' energy: -99.242
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: -93.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1280.195376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.195376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.195376 (E_RNA)
where:
Base-Base interactions energy: -871.565
where: short stacking energy: -379.711
Base-Backbone interact. energy: 1.035
local terms energy: -409.665017
where:
bonds (distance) C4'-P energy: -77.179
bonds (distance) P-C4' energy: -90.745
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -99.056
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1106.185878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.185878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.185878 (E_RNA)
where:
Base-Base interactions energy: -739.670
where: short stacking energy: -307.969
Base-Backbone interact. energy: 1.419
local terms energy: -367.935063
where:
bonds (distance) C4'-P energy: -90.764
bonds (distance) P-C4' energy: -78.639
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -73.333
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: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -930.245873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.245873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.245873 (E_RNA)
where:
Base-Base interactions energy: -622.171
where: short stacking energy: -274.812
Base-Backbone interact. energy: 3.900
local terms energy: -311.974561
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -81.326
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -60.139
tors. eta vs tors. theta energy: -42.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1876.704316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.704316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.704316 (E_RNA)
where:
Base-Base interactions energy: -1332.105
where: short stacking energy: -551.217
Base-Backbone interact. energy: -1.300
local terms energy: -543.299450
where:
bonds (distance) C4'-P energy: -100.645
bonds (distance) P-C4' energy: -101.102
flat angles C4'-P-C4' energy: -116.322
flat angles P-C4'-P energy: -67.596
tors. eta vs tors. theta energy: -157.634
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: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1801.341089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.341089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.341089 (E_RNA)
where:
Base-Base interactions energy: -1250.854
where: short stacking energy: -536.608
Base-Backbone interact. energy: -2.685
local terms energy: -547.801969
where:
bonds (distance) C4'-P energy: -95.590
bonds (distance) P-C4' energy: -94.732
flat angles C4'-P-C4' energy: -116.997
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -158.410
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: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1742.016545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.016545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.016545 (E_RNA)
where:
Base-Base interactions energy: -1223.994
where: short stacking energy: -525.941
Base-Backbone interact. energy: -1.750
local terms energy: -516.272066
where:
bonds (distance) C4'-P energy: -85.034
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -111.061
flat angles P-C4'-P energy: -74.715
tors. eta vs tors. theta energy: -157.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1660.225951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.225951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.225951 (E_RNA)
where:
Base-Base interactions energy: -1165.609
where: short stacking energy: -482.932
Base-Backbone interact. energy: -2.508
local terms energy: -492.109534
where:
bonds (distance) C4'-P energy: -79.736
bonds (distance) P-C4' energy: -81.279
flat angles C4'-P-C4' energy: -106.316
flat angles P-C4'-P energy: -80.451
tors. eta vs tors. theta energy: -144.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1568.562992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.562992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.562992 (E_RNA)
where:
Base-Base interactions energy: -1112.665
where: short stacking energy: -470.703
Base-Backbone interact. energy: -3.696
local terms energy: -452.201622
where:
bonds (distance) C4'-P energy: -82.400
bonds (distance) P-C4' energy: -71.083
flat angles C4'-P-C4' energy: -100.510
flat angles P-C4'-P energy: -71.344
tors. eta vs tors. theta energy: -126.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1545.890271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.890271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.890271 (E_RNA)
where:
Base-Base interactions energy: -1075.422
where: short stacking energy: -460.562
Base-Backbone interact. energy: -0.030
local terms energy: -470.438663
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -125.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1269.270092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.270092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.270092 (E_RNA)
where:
Base-Base interactions energy: -861.785
where: short stacking energy: -370.194
Base-Backbone interact. energy: 4.048
local terms energy: -411.533679
where:
bonds (distance) C4'-P energy: -83.070
bonds (distance) P-C4' energy: -89.810
flat angles C4'-P-C4' energy: -91.408
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -92.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1234.043143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.043143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.043143 (E_RNA)
where:
Base-Base interactions energy: -850.575
where: short stacking energy: -359.794
Base-Backbone interact. energy: -0.765
local terms energy: -382.703651
where:
bonds (distance) C4'-P energy: -75.134
bonds (distance) P-C4' energy: -84.262
flat angles C4'-P-C4' energy: -90.046
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -87.119
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: 165
Temperature: 1.300000
Total energy: -1010.887577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.887577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.887577 (E_RNA)
where:
Base-Base interactions energy: -674.224
where: short stacking energy: -307.120
Base-Backbone interact. energy: -1.593
local terms energy: -335.070243
where:
bonds (distance) C4'-P energy: -73.604
bonds (distance) P-C4' energy: -87.835
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -46.685
tors. eta vs tors. theta energy: -60.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1006.431706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.431706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.431706 (E_RNA)
where:
Base-Base interactions energy: -631.101
where: short stacking energy: -273.590
Base-Backbone interact. energy: -0.857
local terms energy: -374.473073
where:
bonds (distance) C4'-P energy: -74.664
bonds (distance) P-C4' energy: -81.737
flat angles C4'-P-C4' energy: -84.632
flat angles P-C4'-P energy: -60.944
tors. eta vs tors. theta energy: -72.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1866.290004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.290004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.290004 (E_RNA)
where:
Base-Base interactions energy: -1317.163
where: short stacking energy: -536.224
Base-Backbone interact. energy: -2.673
local terms energy: -546.454059
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -106.413
flat angles C4'-P-C4' energy: -115.972
flat angles P-C4'-P energy: -76.815
tors. eta vs tors. theta energy: -148.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1807.089645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.089645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.089645 (E_RNA)
where:
Base-Base interactions energy: -1291.374
where: short stacking energy: -544.025
Base-Backbone interact. energy: -2.667
local terms energy: -513.048991
where:
bonds (distance) C4'-P energy: -85.531
bonds (distance) P-C4' energy: -92.696
flat angles C4'-P-C4' energy: -115.644
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -148.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1731.394395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.394395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.394395 (E_RNA)
where:
Base-Base interactions energy: -1215.723
where: short stacking energy: -512.429
Base-Backbone interact. energy: -2.801
local terms energy: -512.870018
where:
bonds (distance) C4'-P energy: -86.848
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -104.190
flat angles P-C4'-P energy: -68.577
tors. eta vs tors. theta energy: -154.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1662.310460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.310460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.310460 (E_RNA)
where:
Base-Base interactions energy: -1165.063
where: short stacking energy: -489.364
Base-Backbone interact. energy: -2.181
local terms energy: -495.067039
where:
bonds (distance) C4'-P energy: -80.101
bonds (distance) P-C4' energy: -90.834
flat angles C4'-P-C4' energy: -111.626
flat angles P-C4'-P energy: -74.967
tors. eta vs tors. theta energy: -137.540
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: 166
Temperature: 1.100000
Total energy: -1603.283313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.283313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.283313 (E_RNA)
where:
Base-Base interactions energy: -1104.652
where: short stacking energy: -471.342
Base-Backbone interact. energy: -2.817
local terms energy: -495.814378
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -137.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1517.053282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.053282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.053282 (E_RNA)
where:
Base-Base interactions energy: -1038.630
where: short stacking energy: -445.241
Base-Backbone interact. energy: 0.193
local terms energy: -478.616792
where:
bonds (distance) C4'-P energy: -86.568
bonds (distance) P-C4' energy: -89.389
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -128.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1355.813478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.813478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.813478 (E_RNA)
where:
Base-Base interactions energy: -951.337
where: short stacking energy: -384.155
Base-Backbone interact. energy: -2.639
local terms energy: -401.837834
where:
bonds (distance) C4'-P energy: -80.171
bonds (distance) P-C4' energy: -76.582
flat angles C4'-P-C4' energy: -86.893
flat angles P-C4'-P energy: -60.622
tors. eta vs tors. theta energy: -97.570
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: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1262.269458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.269458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.269458 (E_RNA)
where:
Base-Base interactions energy: -890.536
where: short stacking energy: -362.622
Base-Backbone interact. energy: 3.920
local terms energy: -375.653801
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -70.016
flat angles C4'-P-C4' energy: -86.803
flat angles P-C4'-P energy: -70.872
tors. eta vs tors. theta energy: -86.085
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: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1007.522086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.522086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.522086 (E_RNA)
where:
Base-Base interactions energy: -658.819
where: short stacking energy: -277.228
Base-Backbone interact. energy: -1.283
local terms energy: -347.420570
where:
bonds (distance) C4'-P energy: -75.354
bonds (distance) P-C4' energy: -74.803
flat angles C4'-P-C4' energy: -74.922
flat angles P-C4'-P energy: -56.497
tors. eta vs tors. theta energy: -65.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -947.496482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.496482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.496482 (E_RNA)
where:
Base-Base interactions energy: -614.700
where: short stacking energy: -274.348
Base-Backbone interact. energy: -0.760
local terms energy: -332.036750
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -83.428
flat angles C4'-P-C4' energy: -80.618
flat angles P-C4'-P energy: -54.743
tors. eta vs tors. theta energy: -42.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1884.220430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.220430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.220430 (E_RNA)
where:
Base-Base interactions energy: -1324.063
where: short stacking energy: -539.604
Base-Backbone interact. energy: -4.644
local terms energy: -555.514248
where:
bonds (distance) C4'-P energy: -102.396
bonds (distance) P-C4' energy: -92.680
flat angles C4'-P-C4' energy: -120.513
flat angles P-C4'-P energy: -79.933
tors. eta vs tors. theta energy: -159.992
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: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1804.123530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.123530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.123530 (E_RNA)
where:
Base-Base interactions energy: -1262.899
where: short stacking energy: -535.251
Base-Backbone interact. energy: -0.579
local terms energy: -540.645025
where:
bonds (distance) C4'-P energy: -93.976
bonds (distance) P-C4' energy: -86.292
flat angles C4'-P-C4' energy: -123.844
flat angles P-C4'-P energy: -71.980
tors. eta vs tors. theta energy: -164.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1728.522438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.522438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.522438 (E_RNA)
where:
Base-Base interactions energy: -1229.798
where: short stacking energy: -505.495
Base-Backbone interact. energy: -0.305
local terms energy: -498.420410
where:
bonds (distance) C4'-P energy: -82.817
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -105.602
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -144.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1633.450231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.450231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.450231 (E_RNA)
where:
Base-Base interactions energy: -1135.594
where: short stacking energy: -462.061
Base-Backbone interact. energy: -1.043
local terms energy: -496.813218
where:
bonds (distance) C4'-P energy: -72.684
bonds (distance) P-C4' energy: -91.403
flat angles C4'-P-C4' energy: -111.404
flat angles P-C4'-P energy: -84.568
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1628.013322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.013322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.013322 (E_RNA)
where:
Base-Base interactions energy: -1140.697
where: short stacking energy: -500.763
Base-Backbone interact. energy: -2.803
local terms energy: -484.513712
where:
bonds (distance) C4'-P energy: -77.469
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -107.566
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -132.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1544.652925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.652925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.652925 (E_RNA)
where:
Base-Base interactions energy: -1085.308
where: short stacking energy: -438.513
Base-Backbone interact. energy: -1.552
local terms energy: -457.792280
where:
bonds (distance) C4'-P energy: -72.406
bonds (distance) P-C4' energy: -86.273
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -68.595
tors. eta vs tors. theta energy: -126.886
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: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1364.906460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.906460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.906460 (E_RNA)
where:
Base-Base interactions energy: -945.001
where: short stacking energy: -397.520
Base-Backbone interact. energy: -2.365
local terms energy: -417.540463
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -82.148
flat angles C4'-P-C4' energy: -97.383
flat angles P-C4'-P energy: -65.610
tors. eta vs tors. theta energy: -93.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1307.690621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.690621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.690621 (E_RNA)
where:
Base-Base interactions energy: -904.091
where: short stacking energy: -377.483
Base-Backbone interact. energy: -2.476
local terms energy: -401.123241
where:
bonds (distance) C4'-P energy: -77.291
bonds (distance) P-C4' energy: -83.498
flat angles C4'-P-C4' energy: -95.542
flat angles P-C4'-P energy: -59.596
tors. eta vs tors. theta energy: -85.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -986.866870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.866870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.866870 (E_RNA)
where:
Base-Base interactions energy: -652.529
where: short stacking energy: -288.833
Base-Backbone interact. energy: 0.464
local terms energy: -334.801513
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -74.512
flat angles C4'-P-C4' energy: -91.389
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -53.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -847.810334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.810334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.810334 (E_RNA)
where:
Base-Base interactions energy: -539.065
where: short stacking energy: -246.498
Base-Backbone interact. energy: -3.172
local terms energy: -305.573366
where:
bonds (distance) C4'-P energy: -90.092
bonds (distance) P-C4' energy: -55.643
flat angles C4'-P-C4' energy: -80.329
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -35.260
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: 168
Temperature: 0.900000
Total energy: -1898.374874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.374874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.374874 (E_RNA)
where:
Base-Base interactions energy: -1338.951
where: short stacking energy: -552.050
Base-Backbone interact. energy: 0.330
local terms energy: -559.754237
where:
bonds (distance) C4'-P energy: -101.818
bonds (distance) P-C4' energy: -101.318
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -88.263
tors. eta vs tors. theta energy: -157.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1800.010513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.010513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.010513 (E_RNA)
where:
Base-Base interactions energy: -1252.216
where: short stacking energy: -545.091
Base-Backbone interact. energy: -2.397
local terms energy: -545.397873
where:
bonds (distance) C4'-P energy: -97.707
bonds (distance) P-C4' energy: -102.460
flat angles C4'-P-C4' energy: -113.459
flat angles P-C4'-P energy: -81.920
tors. eta vs tors. theta energy: -149.851
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: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1727.265739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.265739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.265739 (E_RNA)
where:
Base-Base interactions energy: -1212.652
where: short stacking energy: -527.667
Base-Backbone interact. energy: -0.881
local terms energy: -513.732888
where:
bonds (distance) C4'-P energy: -90.309
bonds (distance) P-C4' energy: -81.413
flat angles C4'-P-C4' energy: -110.414
flat angles P-C4'-P energy: -74.807
tors. eta vs tors. theta energy: -156.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1668.915854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.915854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.915854 (E_RNA)
where:
Base-Base interactions energy: -1169.223
where: short stacking energy: -485.365
Base-Backbone interact. energy: -1.589
local terms energy: -498.104342
where:
bonds (distance) C4'-P energy: -81.681
bonds (distance) P-C4' energy: -105.952
flat angles C4'-P-C4' energy: -104.413
flat angles P-C4'-P energy: -65.659
tors. eta vs tors. theta energy: -140.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1549.293909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.293909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.293909 (E_RNA)
where:
Base-Base interactions energy: -1083.192
where: short stacking energy: -459.591
Base-Backbone interact. energy: -1.710
local terms energy: -464.391777
where:
bonds (distance) C4'-P energy: -85.823
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -107.119
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -110.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1541.605492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.605492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.605492 (E_RNA)
where:
Base-Base interactions energy: -1077.594
where: short stacking energy: -447.376
Base-Backbone interact. energy: -0.172
local terms energy: -463.840050
where:
bonds (distance) C4'-P energy: -76.159
bonds (distance) P-C4' energy: -94.747
flat angles C4'-P-C4' energy: -99.391
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -130.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1351.195284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.195284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.195284 (E_RNA)
where:
Base-Base interactions energy: -940.835
where: short stacking energy: -413.066
Base-Backbone interact. energy: -0.567
local terms energy: -409.793527
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -77.500
flat angles C4'-P-C4' energy: -95.178
flat angles P-C4'-P energy: -51.187
tors. eta vs tors. theta energy: -115.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1282.110185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.110185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.110185 (E_RNA)
where:
Base-Base interactions energy: -884.326
where: short stacking energy: -366.715
Base-Backbone interact. energy: 0.550
local terms energy: -398.334113
where:
bonds (distance) C4'-P energy: -78.599
bonds (distance) P-C4' energy: -83.318
flat angles C4'-P-C4' energy: -86.373
flat angles P-C4'-P energy: -65.678
tors. eta vs tors. theta energy: -84.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1030.034703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.034703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.034703 (E_RNA)
where:
Base-Base interactions energy: -679.516
where: short stacking energy: -296.893
Base-Backbone interact. energy: -3.478
local terms energy: -347.040682
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -80.104
flat angles C4'-P-C4' energy: -79.856
flat angles P-C4'-P energy: -51.824
tors. eta vs tors. theta energy: -68.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -884.894324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.894324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.894324 (E_RNA)
where:
Base-Base interactions energy: -541.758
where: short stacking energy: -237.293
Base-Backbone interact. energy: 0.457
local terms energy: -343.593530
where:
bonds (distance) C4'-P energy: -75.125
bonds (distance) P-C4' energy: -84.091
flat angles C4'-P-C4' energy: -65.967
flat angles P-C4'-P energy: -66.645
tors. eta vs tors. theta energy: -51.766
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1880.841340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.841340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.841340 (E_RNA)
where:
Base-Base interactions energy: -1341.141
where: short stacking energy: -550.405
Base-Backbone interact. energy: -3.352
local terms energy: -536.348175
where:
bonds (distance) C4'-P energy: -98.106
bonds (distance) P-C4' energy: -102.409
flat angles C4'-P-C4' energy: -106.167
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -153.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1760.643283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.643283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.643283 (E_RNA)
where:
Base-Base interactions energy: -1243.274
where: short stacking energy: -522.722
Base-Backbone interact. energy: -1.596
local terms energy: -515.773030
where:
bonds (distance) C4'-P energy: -87.348
bonds (distance) P-C4' energy: -94.389
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -74.195
tors. eta vs tors. theta energy: -149.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1774.888883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.888883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.888883 (E_RNA)
where:
Base-Base interactions energy: -1234.850
where: short stacking energy: -524.573
Base-Backbone interact. energy: -0.199
local terms energy: -539.840117
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -107.479
flat angles C4'-P-C4' energy: -107.928
flat angles P-C4'-P energy: -77.708
tors. eta vs tors. theta energy: -152.009
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: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1660.828499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.828499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.828499 (E_RNA)
where:
Base-Base interactions energy: -1158.395
where: short stacking energy: -495.720
Base-Backbone interact. energy: -1.560
local terms energy: -500.873882
where:
bonds (distance) C4'-P energy: -94.996
bonds (distance) P-C4' energy: -89.488
flat angles C4'-P-C4' energy: -100.072
flat angles P-C4'-P energy: -71.508
tors. eta vs tors. theta energy: -144.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1529.066960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.066960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.066960 (E_RNA)
where:
Base-Base interactions energy: -1091.831
where: short stacking energy: -437.178
Base-Backbone interact. energy: -2.160
local terms energy: -435.076179
where:
bonds (distance) C4'-P energy: -87.030
bonds (distance) P-C4' energy: -89.972
flat angles C4'-P-C4' energy: -92.278
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: -119.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1522.995365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.995365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.995365 (E_RNA)
where:
Base-Base interactions energy: -1049.472
where: short stacking energy: -440.401
Base-Backbone interact. energy: -0.377
local terms energy: -473.146528
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -103.099
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -114.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1366.645485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.645485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.645485 (E_RNA)
where:
Base-Base interactions energy: -960.483
where: short stacking energy: -392.949
Base-Backbone interact. energy: -3.142
local terms energy: -403.021035
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -76.170
flat angles C4'-P-C4' energy: -91.035
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -107.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1255.512003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.512003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.512003 (E_RNA)
where:
Base-Base interactions energy: -865.728
where: short stacking energy: -382.831
Base-Backbone interact. energy: 0.182
local terms energy: -389.965665
where:
bonds (distance) C4'-P energy: -71.138
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -60.420
tors. eta vs tors. theta energy: -85.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1098.526308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.526308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.526308 (E_RNA)
where:
Base-Base interactions energy: -739.578
where: short stacking energy: -320.411
Base-Backbone interact. energy: 0.892
local terms energy: -359.840561
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -71.663
flat angles C4'-P-C4' energy: -86.867
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -78.452
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: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -832.877748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.877748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.877748 (E_RNA)
where:
Base-Base interactions energy: -492.381
where: short stacking energy: -224.132
Base-Backbone interact. energy: -0.280
local terms energy: -340.216707
where:
bonds (distance) C4'-P energy: -75.929
bonds (distance) P-C4' energy: -86.655
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -64.999
tors. eta vs tors. theta energy: -29.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1845.924458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.924458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.924458 (E_RNA)
where:
Base-Base interactions energy: -1315.045
where: short stacking energy: -538.001
Base-Backbone interact. energy: -1.187
local terms energy: -529.692262
where:
bonds (distance) C4'-P energy: -81.734
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -120.887
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -152.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1714.729646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.729646 (E_RNA)
where:
Base-Base interactions energy: -1196.036
where: short stacking energy: -513.793
Base-Backbone interact. energy: -1.531
local terms energy: -517.163221
where:
bonds (distance) C4'-P energy: -91.946
bonds (distance) P-C4' energy: -94.695
flat angles C4'-P-C4' energy: -104.358
flat angles P-C4'-P energy: -72.166
tors. eta vs tors. theta energy: -153.998
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: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1815.126102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.126102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.126102 (E_RNA)
where:
Base-Base interactions energy: -1299.657
where: short stacking energy: -547.021
Base-Backbone interact. energy: -2.087
local terms energy: -513.382058
where:
bonds (distance) C4'-P energy: -86.113
bonds (distance) P-C4' energy: -82.764
flat angles C4'-P-C4' energy: -109.234
flat angles P-C4'-P energy: -78.175
tors. eta vs tors. theta energy: -157.096
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: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1696.638817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.638817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.638817 (E_RNA)
where:
Base-Base interactions energy: -1188.974
where: short stacking energy: -496.640
Base-Backbone interact. energy: 0.649
local terms energy: -508.313832
where:
bonds (distance) C4'-P energy: -86.995
bonds (distance) P-C4' energy: -87.906
flat angles C4'-P-C4' energy: -117.834
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -140.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1508.680054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.680054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.680054 (E_RNA)
where:
Base-Base interactions energy: -1040.183
where: short stacking energy: -408.888
Base-Backbone interact. energy: -1.466
local terms energy: -467.031366
where:
bonds (distance) C4'-P energy: -83.768
bonds (distance) P-C4' energy: -87.269
flat angles C4'-P-C4' energy: -99.965
flat angles P-C4'-P energy: -77.031
tors. eta vs tors. theta energy: -118.998
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1584.404971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.404971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.404971 (E_RNA)
where:
Base-Base interactions energy: -1095.891
where: short stacking energy: -476.339
Base-Backbone interact. energy: 0.057
local terms energy: -488.571358
where:
bonds (distance) C4'-P energy: -83.920
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -103.649
flat angles P-C4'-P energy: -72.247
tors. eta vs tors. theta energy: -133.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1385.835016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.835016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.835016 (E_RNA)
where:
Base-Base interactions energy: -967.246
where: short stacking energy: -402.738
Base-Backbone interact. energy: 0.623
local terms energy: -419.212476
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -80.007
flat angles C4'-P-C4' energy: -96.862
flat angles P-C4'-P energy: -54.474
tors. eta vs tors. theta energy: -109.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1332.570702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.570702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.570702 (E_RNA)
where:
Base-Base interactions energy: -938.131
where: short stacking energy: -396.907
Base-Backbone interact. energy: 0.699
local terms energy: -395.138404
where:
bonds (distance) C4'-P energy: -77.964
bonds (distance) P-C4' energy: -68.498
flat angles C4'-P-C4' energy: -88.859
flat angles P-C4'-P energy: -55.279
tors. eta vs tors. theta energy: -104.537
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: 170
Temperature: 1.300000
Total energy: -881.448228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.448228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.448228 (E_RNA)
where:
Base-Base interactions energy: -541.594
where: short stacking energy: -246.180
Base-Backbone interact. energy: 1.397
local terms energy: -341.251226
where:
bonds (distance) C4'-P energy: -76.261
bonds (distance) P-C4' energy: -85.117
flat angles C4'-P-C4' energy: -82.127
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -39.422
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: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1010.732088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.732088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.732088 (E_RNA)
where:
Base-Base interactions energy: -666.468
where: short stacking energy: -281.115
Base-Backbone interact. energy: -3.675
local terms energy: -340.589604
where:
bonds (distance) C4'-P energy: -73.265
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -74.242
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -60.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1877.738435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.738435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.738435 (E_RNA)
where:
Base-Base interactions energy: -1330.650
where: short stacking energy: -544.475
Base-Backbone interact. energy: -1.840
local terms energy: -545.248478
where:
bonds (distance) C4'-P energy: -101.480
bonds (distance) P-C4' energy: -99.141
flat angles C4'-P-C4' energy: -111.320
flat angles P-C4'-P energy: -76.386
tors. eta vs tors. theta energy: -156.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1823.508643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.508643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.508643 (E_RNA)
where:
Base-Base interactions energy: -1293.635
where: short stacking energy: -534.550
Base-Backbone interact. energy: -0.288
local terms energy: -529.585078
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -99.382
flat angles C4'-P-C4' energy: -116.179
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -147.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1684.884951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.884951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.884951 (E_RNA)
where:
Base-Base interactions energy: -1183.058
where: short stacking energy: -492.886
Base-Backbone interact. energy: -0.477
local terms energy: -501.350425
where:
bonds (distance) C4'-P energy: -99.864
bonds (distance) P-C4' energy: -91.481
flat angles C4'-P-C4' energy: -103.286
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -144.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1696.117929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.117929 (E_RNA)
where:
Base-Base interactions energy: -1186.340
where: short stacking energy: -492.834
Base-Backbone interact. energy: -1.407
local terms energy: -508.370828
where:
bonds (distance) C4'-P energy: -98.252
bonds (distance) P-C4' energy: -92.449
flat angles C4'-P-C4' energy: -98.216
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -145.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1553.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.376397 (E_RNA)
where:
Base-Base interactions energy: -1074.493
where: short stacking energy: -476.468
Base-Backbone interact. energy: -0.348
local terms energy: -478.535352
where:
bonds (distance) C4'-P energy: -88.961
bonds (distance) P-C4' energy: -96.746
flat angles C4'-P-C4' energy: -91.864
flat angles P-C4'-P energy: -71.051
tors. eta vs tors. theta energy: -129.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1576.922978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.922978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.922978 (E_RNA)
where:
Base-Base interactions energy: -1095.807
where: short stacking energy: -457.931
Base-Backbone interact. energy: 1.800
local terms energy: -482.915770
where:
bonds (distance) C4'-P energy: -90.637
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -103.421
flat angles P-C4'-P energy: -74.116
tors. eta vs tors. theta energy: -128.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1424.839552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.839552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.839552 (E_RNA)
where:
Base-Base interactions energy: -1018.313
where: short stacking energy: -420.287
Base-Backbone interact. energy: 0.211
local terms energy: -406.737643
where:
bonds (distance) C4'-P energy: -64.644
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -94.823
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -113.141
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: 171
Temperature: 1.250000
Total energy: -1262.272997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.272997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.272997 (E_RNA)
where:
Base-Base interactions energy: -853.057
where: short stacking energy: -368.545
Base-Backbone interact. energy: -0.844
local terms energy: -408.371952
where:
bonds (distance) C4'-P energy: -96.479
bonds (distance) P-C4' energy: -79.521
flat angles C4'-P-C4' energy: -93.092
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -84.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -894.196905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.196905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.196905 (E_RNA)
where:
Base-Base interactions energy: -568.729
where: short stacking energy: -251.478
Base-Backbone interact. energy: 1.528
local terms energy: -326.995497
where:
bonds (distance) C4'-P energy: -81.222
bonds (distance) P-C4' energy: -96.593
flat angles C4'-P-C4' energy: -64.259
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -44.191
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: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -964.316080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.316080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.316080 (E_RNA)
where:
Base-Base interactions energy: -649.572
where: short stacking energy: -271.965
Base-Backbone interact. energy: -2.433
local terms energy: -312.311539
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -81.600
flat angles C4'-P-C4' energy: -69.822
flat angles P-C4'-P energy: -51.853
tors. eta vs tors. theta energy: -48.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1867.346784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.346784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.346784 (E_RNA)
where:
Base-Base interactions energy: -1320.439
where: short stacking energy: -533.889
Base-Backbone interact. energy: -1.952
local terms energy: -544.955499
where:
bonds (distance) C4'-P energy: -93.936
bonds (distance) P-C4' energy: -95.954
flat angles C4'-P-C4' energy: -120.175
flat angles P-C4'-P energy: -76.720
tors. eta vs tors. theta energy: -158.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1827.040063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.040063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.040063 (E_RNA)
where:
Base-Base interactions energy: -1283.580
where: short stacking energy: -523.160
Base-Backbone interact. energy: -1.445
local terms energy: -542.014526
where:
bonds (distance) C4'-P energy: -99.914
bonds (distance) P-C4' energy: -97.571
flat angles C4'-P-C4' energy: -116.125
flat angles P-C4'-P energy: -76.695
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: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1710.214063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.214063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.214063 (E_RNA)
where:
Base-Base interactions energy: -1195.611
where: short stacking energy: -502.575
Base-Backbone interact. energy: -0.624
local terms energy: -513.978894
where:
bonds (distance) C4'-P energy: -79.923
bonds (distance) P-C4' energy: -99.453
flat angles C4'-P-C4' energy: -107.208
flat angles P-C4'-P energy: -80.629
tors. eta vs tors. theta energy: -146.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1664.428536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.428536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.428536 (E_RNA)
where:
Base-Base interactions energy: -1187.096
where: short stacking energy: -491.811
Base-Backbone interact. energy: -1.703
local terms energy: -475.629932
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -80.117
flat angles C4'-P-C4' energy: -105.915
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -129.625
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: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1537.207227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.207227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.207227 (E_RNA)
where:
Base-Base interactions energy: -1086.743
where: short stacking energy: -443.708
Base-Backbone interact. energy: -1.749
local terms energy: -448.715407
where:
bonds (distance) C4'-P energy: -84.185
bonds (distance) P-C4' energy: -88.142
flat angles C4'-P-C4' energy: -88.357
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -120.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1598.065650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.065650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.065650 (E_RNA)
where:
Base-Base interactions energy: -1126.598
where: short stacking energy: -478.897
Base-Backbone interact. energy: 3.764
local terms energy: -475.231168
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -74.586
flat angles C4'-P-C4' energy: -102.598
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: -140.810
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1397.819242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.819242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.819242 (E_RNA)
where:
Base-Base interactions energy: -983.518
where: short stacking energy: -389.997
Base-Backbone interact. energy: 1.605
local terms energy: -415.905800
where:
bonds (distance) C4'-P energy: -79.137
bonds (distance) P-C4' energy: -73.840
flat angles C4'-P-C4' energy: -106.051
flat angles P-C4'-P energy: -60.279
tors. eta vs tors. theta energy: -96.599
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: 172
Temperature: 1.250000
Total energy: -1347.973903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.973903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.973903 (E_RNA)
where:
Base-Base interactions energy: -915.439
where: short stacking energy: -391.892
Base-Backbone interact. energy: -0.426
local terms energy: -432.109090
where:
bonds (distance) C4'-P energy: -79.512
bonds (distance) P-C4' energy: -91.461
flat angles C4'-P-C4' energy: -97.258
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -106.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1021.172140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.172140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.172140 (E_RNA)
where:
Base-Base interactions energy: -672.486
where: short stacking energy: -288.862
Base-Backbone interact. energy: 0.136
local terms energy: -348.821664
where:
bonds (distance) C4'-P energy: -70.056
bonds (distance) P-C4' energy: -81.088
flat angles C4'-P-C4' energy: -78.086
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -849.872760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.872760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.872760 (E_RNA)
where:
Base-Base interactions energy: -531.253
where: short stacking energy: -229.656
Base-Backbone interact. energy: -0.766
local terms energy: -317.853846
where:
bonds (distance) C4'-P energy: -87.217
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -25.000
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: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1887.370641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.370641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.370641 (E_RNA)
where:
Base-Base interactions energy: -1348.040
where: short stacking energy: -559.031
Base-Backbone interact. energy: -2.314
local terms energy: -537.016501
where:
bonds (distance) C4'-P energy: -96.818
bonds (distance) P-C4' energy: -86.082
flat angles C4'-P-C4' energy: -115.373
flat angles P-C4'-P energy: -82.404
tors. eta vs tors. theta energy: -156.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1842.815500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.815500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.815500 (E_RNA)
where:
Base-Base interactions energy: -1327.807
where: short stacking energy: -539.914
Base-Backbone interact. energy: -1.334
local terms energy: -513.674464
where:
bonds (distance) C4'-P energy: -79.643
bonds (distance) P-C4' energy: -99.968
flat angles C4'-P-C4' energy: -111.916
flat angles P-C4'-P energy: -69.179
tors. eta vs tors. theta energy: -152.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1746.384046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.384046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.384046 (E_RNA)
where:
Base-Base interactions energy: -1209.433
where: short stacking energy: -528.527
Base-Backbone interact. energy: -1.766
local terms energy: -535.184679
where:
bonds (distance) C4'-P energy: -92.049
bonds (distance) P-C4' energy: -90.994
flat angles C4'-P-C4' energy: -109.357
flat angles P-C4'-P energy: -89.103
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: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1596.774279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.774279 (E_RNA)
where:
Base-Base interactions energy: -1113.042
where: short stacking energy: -485.675
Base-Backbone interact. energy: -0.956
local terms energy: -482.776626
where:
bonds (distance) C4'-P energy: -82.736
bonds (distance) P-C4' energy: -94.440
flat angles C4'-P-C4' energy: -95.787
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -133.026
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: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1587.975268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.975268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.975268 (E_RNA)
where:
Base-Base interactions energy: -1128.476
where: short stacking energy: -445.190
Base-Backbone interact. energy: -1.118
local terms energy: -458.380908
where:
bonds (distance) C4'-P energy: -78.473
bonds (distance) P-C4' energy: -78.425
flat angles C4'-P-C4' energy: -104.432
flat angles P-C4'-P energy: -72.760
tors. eta vs tors. theta energy: -124.290
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: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1616.785168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.785168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.785168 (E_RNA)
where:
Base-Base interactions energy: -1147.711
where: short stacking energy: -489.400
Base-Backbone interact. energy: -0.327
local terms energy: -468.746747
where:
bonds (distance) C4'-P energy: -80.106
bonds (distance) P-C4' energy: -69.169
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -76.197
tors. eta vs tors. theta energy: -138.410
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: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1407.039226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.039226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.039226 (E_RNA)
where:
Base-Base interactions energy: -986.058
where: short stacking energy: -412.577
Base-Backbone interact. energy: -0.015
local terms energy: -420.966735
where:
bonds (distance) C4'-P energy: -87.340
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -92.554
flat angles P-C4'-P energy: -52.098
tors. eta vs tors. theta energy: -110.942
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: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1365.014776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.014776 (E_RNA)
where:
Base-Base interactions energy: -938.959
where: short stacking energy: -397.283
Base-Backbone interact. energy: -2.088
local terms energy: -423.967697
where:
bonds (distance) C4'-P energy: -83.031
bonds (distance) P-C4' energy: -74.485
flat angles C4'-P-C4' energy: -90.330
flat angles P-C4'-P energy: -72.138
tors. eta vs tors. theta energy: -103.984
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: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1025.477556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.477556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.477556 (E_RNA)
where:
Base-Base interactions energy: -647.916
where: short stacking energy: -266.627
Base-Backbone interact. energy: -0.004
local terms energy: -377.557717
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -87.624
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -897.359011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.359011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.359011 (E_RNA)
where:
Base-Base interactions energy: -577.996
where: short stacking energy: -269.462
Base-Backbone interact. energy: -0.854
local terms energy: -318.508983
where:
bonds (distance) C4'-P energy: -68.155
bonds (distance) P-C4' energy: -69.314
flat angles C4'-P-C4' energy: -78.548
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -53.369
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: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1852.469033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.469033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.469033 (E_RNA)
where:
Base-Base interactions energy: -1326.135
where: short stacking energy: -551.433
Base-Backbone interact. energy: -1.159
local terms energy: -525.175017
where:
bonds (distance) C4'-P energy: -76.061
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -115.781
flat angles P-C4'-P energy: -76.940
tors. eta vs tors. theta energy: -160.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1844.859038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.859038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.859038 (E_RNA)
where:
Base-Base interactions energy: -1301.778
where: short stacking energy: -540.247
Base-Backbone interact. energy: -2.642
local terms energy: -540.439498
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -115.094
flat angles P-C4'-P energy: -75.996
tors. eta vs tors. theta energy: -150.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1712.862330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.862330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.862330 (E_RNA)
where:
Base-Base interactions energy: -1198.430
where: short stacking energy: -502.362
Base-Backbone interact. energy: 0.281
local terms energy: -514.712999
where:
bonds (distance) C4'-P energy: -100.676
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -107.461
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -146.539
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: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1627.535342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.535342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.535342 (E_RNA)
where:
Base-Base interactions energy: -1129.736
where: short stacking energy: -477.165
Base-Backbone interact. energy: -3.047
local terms energy: -494.752573
where:
bonds (distance) C4'-P energy: -82.143
bonds (distance) P-C4' energy: -90.702
flat angles C4'-P-C4' energy: -113.702
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -131.207
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: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1617.713262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.713262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.713262 (E_RNA)
where:
Base-Base interactions energy: -1150.495
where: short stacking energy: -484.952
Base-Backbone interact. energy: -1.135
local terms energy: -466.083726
where:
bonds (distance) C4'-P energy: -81.759
bonds (distance) P-C4' energy: -82.146
flat angles C4'-P-C4' energy: -98.957
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -144.625
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: 174
Temperature: 1.150000
Total energy: -1553.225143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.225143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.225143 (E_RNA)
where:
Base-Base interactions energy: -1093.544
where: short stacking energy: -473.262
Base-Backbone interact. energy: 0.184
local terms energy: -459.864562
where:
bonds (distance) C4'-P energy: -84.571
bonds (distance) P-C4' energy: -90.759
flat angles C4'-P-C4' energy: -91.114
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -132.024
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: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1424.890797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.890797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.890797 (E_RNA)
where:
Base-Base interactions energy: -989.043
where: short stacking energy: -406.116
Base-Backbone interact. energy: 1.117
local terms energy: -436.965480
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -98.435
flat angles P-C4'-P energy: -61.247
tors. eta vs tors. theta energy: -111.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1284.695274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.695274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.695274 (E_RNA)
where:
Base-Base interactions energy: -890.822
where: short stacking energy: -383.810
Base-Backbone interact. energy: 2.886
local terms energy: -396.759840
where:
bonds (distance) C4'-P energy: -82.924
bonds (distance) P-C4' energy: -68.045
flat angles C4'-P-C4' energy: -86.177
flat angles P-C4'-P energy: -64.995
tors. eta vs tors. theta energy: -94.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1050.265368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.265368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.265368 (E_RNA)
where:
Base-Base interactions energy: -679.190
where: short stacking energy: -303.469
Base-Backbone interact. energy: 2.933
local terms energy: -374.008492
where:
bonds (distance) C4'-P energy: -73.344
bonds (distance) P-C4' energy: -85.551
flat angles C4'-P-C4' energy: -82.148
flat angles P-C4'-P energy: -61.620
tors. eta vs tors. theta energy: -71.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -805.612292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.612292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.612292 (E_RNA)
where:
Base-Base interactions energy: -487.878
where: short stacking energy: -233.287
Base-Backbone interact. energy: -2.099
local terms energy: -315.634709
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -72.695
flat angles C4'-P-C4' energy: -69.050
flat angles P-C4'-P energy: -59.917
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1848.460438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.460438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.460438 (E_RNA)
where:
Base-Base interactions energy: -1306.114
where: short stacking energy: -533.178
Base-Backbone interact. energy: 0.509
local terms energy: -542.854866
where:
bonds (distance) C4'-P energy: -98.627
bonds (distance) P-C4' energy: -102.657
flat angles C4'-P-C4' energy: -107.818
flat angles P-C4'-P energy: -83.979
tors. eta vs tors. theta energy: -149.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1833.323607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.323607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.323607 (E_RNA)
where:
Base-Base interactions energy: -1321.410
where: short stacking energy: -539.001
Base-Backbone interact. energy: -1.953
local terms energy: -509.961447
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -73.920
flat angles C4'-P-C4' energy: -111.040
flat angles P-C4'-P energy: -68.728
tors. eta vs tors. theta energy: -151.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1742.982293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.982293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.982293 (E_RNA)
where:
Base-Base interactions energy: -1232.737
where: short stacking energy: -524.489
Base-Backbone interact. energy: -1.257
local terms energy: -508.988536
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -93.274
flat angles C4'-P-C4' energy: -105.792
flat angles P-C4'-P energy: -73.659
tors. eta vs tors. theta energy: -148.702
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: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1634.740669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.740669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.740669 (E_RNA)
where:
Base-Base interactions energy: -1149.250
where: short stacking energy: -490.910
Base-Backbone interact. energy: -0.676
local terms energy: -484.814538
where:
bonds (distance) C4'-P energy: -77.592
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -104.606
flat angles P-C4'-P energy: -67.435
tors. eta vs tors. theta energy: -133.199
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: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1590.239175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.239175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.239175 (E_RNA)
where:
Base-Base interactions energy: -1129.083
where: short stacking energy: -473.878
Base-Backbone interact. energy: 0.087
local terms energy: -461.243180
where:
bonds (distance) C4'-P energy: -77.647
bonds (distance) P-C4' energy: -85.954
flat angles C4'-P-C4' energy: -104.973
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -129.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1558.405697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.405697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.405697 (E_RNA)
where:
Base-Base interactions energy: -1101.536
where: short stacking energy: -440.514
Base-Backbone interact. energy: 4.746
local terms energy: -461.615989
where:
bonds (distance) C4'-P energy: -83.094
bonds (distance) P-C4' energy: -89.726
flat angles C4'-P-C4' energy: -96.291
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -120.362
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1414.023750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.023750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.023750 (E_RNA)
where:
Base-Base interactions energy: -984.256
where: short stacking energy: -391.733
Base-Backbone interact. energy: -1.156
local terms energy: -428.611310
where:
bonds (distance) C4'-P energy: -74.911
bonds (distance) P-C4' energy: -83.110
flat angles C4'-P-C4' energy: -107.096
flat angles P-C4'-P energy: -66.536
tors. eta vs tors. theta energy: -96.957
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: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1274.444634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.444634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.444634 (E_RNA)
where:
Base-Base interactions energy: -879.989
where: short stacking energy: -349.459
Base-Backbone interact. energy: -1.315
local terms energy: -393.141251
where:
bonds (distance) C4'-P energy: -71.157
bonds (distance) P-C4' energy: -83.370
flat angles C4'-P-C4' energy: -90.670
flat angles P-C4'-P energy: -56.987
tors. eta vs tors. theta energy: -90.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1015.248194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.248194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.248194 (E_RNA)
where:
Base-Base interactions energy: -679.208
where: short stacking energy: -280.567
Base-Backbone interact. energy: -1.201
local terms energy: -334.838804
where:
bonds (distance) C4'-P energy: -85.114
bonds (distance) P-C4' energy: -79.813
flat angles C4'-P-C4' energy: -81.127
flat angles P-C4'-P energy: -41.575
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -808.957730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.957730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.957730 (E_RNA)
where:
Base-Base interactions energy: -484.552
where: short stacking energy: -218.185
Base-Backbone interact. energy: -1.287
local terms energy: -323.119150
where:
bonds (distance) C4'-P energy: -78.209
bonds (distance) P-C4' energy: -81.685
flat angles C4'-P-C4' energy: -73.026
flat angles P-C4'-P energy: -53.793
tors. eta vs tors. theta energy: -36.406
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: 176
Temperature: 0.900000
Total energy: -1846.489153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.489153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.489153 (E_RNA)
where:
Base-Base interactions energy: -1323.670
where: short stacking energy: -521.086
Base-Backbone interact. energy: -1.150
local terms energy: -521.669450
where:
bonds (distance) C4'-P energy: -92.358
bonds (distance) P-C4' energy: -85.542
flat angles C4'-P-C4' energy: -111.906
flat angles P-C4'-P energy: -77.687
tors. eta vs tors. theta energy: -154.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1841.658281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.658281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.658281 (E_RNA)
where:
Base-Base interactions energy: -1300.450
where: short stacking energy: -539.106
Base-Backbone interact. energy: -0.997
local terms energy: -540.211549
where:
bonds (distance) C4'-P energy: -105.827
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -113.332
flat angles P-C4'-P energy: -74.609
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: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1732.354939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.354939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.354939 (E_RNA)
where:
Base-Base interactions energy: -1203.805
where: short stacking energy: -536.810
Base-Backbone interact. energy: -0.642
local terms energy: -527.907159
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -90.716
flat angles C4'-P-C4' energy: -113.281
flat angles P-C4'-P energy: -76.289
tors. eta vs tors. theta energy: -151.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1624.579541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.579541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.579541 (E_RNA)
where:
Base-Base interactions energy: -1136.716
where: short stacking energy: -469.318
Base-Backbone interact. energy: 0.759
local terms energy: -488.622360
where:
bonds (distance) C4'-P energy: -83.329
bonds (distance) P-C4' energy: -94.660
flat angles C4'-P-C4' energy: -103.042
flat angles P-C4'-P energy: -74.276
tors. eta vs tors. theta energy: -133.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1593.195923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.195923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.195923 (E_RNA)
where:
Base-Base interactions energy: -1127.114
where: short stacking energy: -483.404
Base-Backbone interact. energy: 0.982
local terms energy: -467.063949
where:
bonds (distance) C4'-P energy: -91.903
bonds (distance) P-C4' energy: -84.211
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -59.648
tors. eta vs tors. theta energy: -124.820
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1524.773010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.773010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.773010 (E_RNA)
where:
Base-Base interactions energy: -1078.434
where: short stacking energy: -459.135
Base-Backbone interact. energy: -2.035
local terms energy: -444.304067
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -73.443
flat angles C4'-P-C4' energy: -100.590
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -121.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1389.210929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.210929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.210929 (E_RNA)
where:
Base-Base interactions energy: -997.070
where: short stacking energy: -405.791
Base-Backbone interact. energy: -1.817
local terms energy: -390.323679
where:
bonds (distance) C4'-P energy: -86.204
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -75.672
flat angles P-C4'-P energy: -59.235
tors. eta vs tors. theta energy: -88.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1301.016290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.016290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.016290 (E_RNA)
where:
Base-Base interactions energy: -898.107
where: short stacking energy: -369.333
Base-Backbone interact. energy: 0.993
local terms energy: -403.902088
where:
bonds (distance) C4'-P energy: -72.617
bonds (distance) P-C4' energy: -79.017
flat angles C4'-P-C4' energy: -97.213
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -97.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1019.743808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.743808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.743808 (E_RNA)
where:
Base-Base interactions energy: -665.861
where: short stacking energy: -289.769
Base-Backbone interact. energy: 1.780
local terms energy: -355.662675
where:
bonds (distance) C4'-P energy: -84.554
bonds (distance) P-C4' energy: -67.142
flat angles C4'-P-C4' energy: -85.030
flat angles P-C4'-P energy: -59.700
tors. eta vs tors. theta energy: -59.237
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: 176
Temperature: 1.350000
Total energy: -846.186245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.186245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.186245 (E_RNA)
where:
Base-Base interactions energy: -519.868
where: short stacking energy: -236.482
Base-Backbone interact. energy: -1.906
local terms energy: -324.412118
where:
bonds (distance) C4'-P energy: -81.652
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -32.469
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: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1860.380833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.380833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.380833 (E_RNA)
where:
Base-Base interactions energy: -1321.301
where: short stacking energy: -526.314
Base-Backbone interact. energy: -3.272
local terms energy: -535.807969
where:
bonds (distance) C4'-P energy: -98.401
bonds (distance) P-C4' energy: -92.821
flat angles C4'-P-C4' energy: -107.549
flat angles P-C4'-P energy: -84.102
tors. eta vs tors. theta energy: -152.936
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: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1844.534136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.534136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.534136 (E_RNA)
where:
Base-Base interactions energy: -1309.175
where: short stacking energy: -516.258
Base-Backbone interact. energy: -2.628
local terms energy: -532.731110
where:
bonds (distance) C4'-P energy: -100.282
bonds (distance) P-C4' energy: -86.905
flat angles C4'-P-C4' energy: -115.223
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -150.027
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1733.443918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.443918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.443918 (E_RNA)
where:
Base-Base interactions energy: -1202.755
where: short stacking energy: -515.149
Base-Backbone interact. energy: -0.538
local terms energy: -530.151377
where:
bonds (distance) C4'-P energy: -93.725
bonds (distance) P-C4' energy: -96.615
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -76.624
tors. eta vs tors. theta energy: -151.975
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: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1603.650477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.650477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.650477 (E_RNA)
where:
Base-Base interactions energy: -1124.237
where: short stacking energy: -479.186
Base-Backbone interact. energy: -1.998
local terms energy: -477.415655
where:
bonds (distance) C4'-P energy: -99.317
bonds (distance) P-C4' energy: -77.662
flat angles C4'-P-C4' energy: -105.698
flat angles P-C4'-P energy: -60.463
tors. eta vs tors. theta energy: -134.275
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: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1639.608237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.608237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.608237 (E_RNA)
where:
Base-Base interactions energy: -1163.666
where: short stacking energy: -487.046
Base-Backbone interact. energy: -1.734
local terms energy: -474.207532
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -104.410
flat angles P-C4'-P energy: -65.871
tors. eta vs tors. theta energy: -133.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1493.098311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.098311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.098311 (E_RNA)
where:
Base-Base interactions energy: -1039.720
where: short stacking energy: -431.692
Base-Backbone interact. energy: -2.252
local terms energy: -451.126265
where:
bonds (distance) C4'-P energy: -89.067
bonds (distance) P-C4' energy: -86.921
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -69.415
tors. eta vs tors. theta energy: -114.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1466.575097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.575097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.575097 (E_RNA)
where:
Base-Base interactions energy: -1027.614
where: short stacking energy: -426.777
Base-Backbone interact. energy: -5.082
local terms energy: -433.878376
where:
bonds (distance) C4'-P energy: -88.423
bonds (distance) P-C4' energy: -78.923
flat angles C4'-P-C4' energy: -92.539
flat angles P-C4'-P energy: -57.612
tors. eta vs tors. theta energy: -116.381
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: 177
Temperature: 1.250000
Total energy: -1252.941998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.941998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.941998 (E_RNA)
where:
Base-Base interactions energy: -869.439
where: short stacking energy: -360.485
Base-Backbone interact. energy: 0.906
local terms energy: -384.408678
where:
bonds (distance) C4'-P energy: -83.206
bonds (distance) P-C4' energy: -85.790
flat angles C4'-P-C4' energy: -72.300
flat angles P-C4'-P energy: -48.832
tors. eta vs tors. theta energy: -94.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1096.401346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.401346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.401346 (E_RNA)
where:
Base-Base interactions energy: -732.182
where: short stacking energy: -319.091
Base-Backbone interact. energy: 0.492
local terms energy: -364.711343
where:
bonds (distance) C4'-P energy: -84.404
bonds (distance) P-C4' energy: -77.839
flat angles C4'-P-C4' energy: -84.542
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -75.204
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: 177
Temperature: 1.350000
Total energy: -825.198928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.198928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.198928 (E_RNA)
where:
Base-Base interactions energy: -526.387
where: short stacking energy: -234.387
Base-Backbone interact. energy: 0.040
local terms energy: -298.851710
where:
bonds (distance) C4'-P energy: -68.771
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -58.551
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -37.493
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: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1872.546287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.546287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.546287 (E_RNA)
where:
Base-Base interactions energy: -1319.408
where: short stacking energy: -531.826
Base-Backbone interact. energy: -2.443
local terms energy: -550.695268
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -103.113
flat angles C4'-P-C4' energy: -114.309
flat angles P-C4'-P energy: -84.766
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: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1835.488055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.488055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.488055 (E_RNA)
where:
Base-Base interactions energy: -1303.048
where: short stacking energy: -543.301
Base-Backbone interact. energy: -3.067
local terms energy: -529.373107
where:
bonds (distance) C4'-P energy: -82.355
bonds (distance) P-C4' energy: -104.695
flat angles C4'-P-C4' energy: -111.507
flat angles P-C4'-P energy: -77.609
tors. eta vs tors. theta energy: -153.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1730.843750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.843750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.843750 (E_RNA)
where:
Base-Base interactions energy: -1203.036
where: short stacking energy: -514.661
Base-Backbone interact. energy: -2.446
local terms energy: -525.361496
where:
bonds (distance) C4'-P energy: -98.000
bonds (distance) P-C4' energy: -92.472
flat angles C4'-P-C4' energy: -115.163
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -149.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1588.885433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.885433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.885433 (E_RNA)
where:
Base-Base interactions energy: -1111.659
where: short stacking energy: -465.111
Base-Backbone interact. energy: -2.052
local terms energy: -475.174297
where:
bonds (distance) C4'-P energy: -76.822
bonds (distance) P-C4' energy: -99.449
flat angles C4'-P-C4' energy: -104.570
flat angles P-C4'-P energy: -65.936
tors. eta vs tors. theta energy: -128.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1612.843573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.843573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.843573 (E_RNA)
where:
Base-Base interactions energy: -1131.684
where: short stacking energy: -475.741
Base-Backbone interact. energy: -0.649
local terms energy: -480.510219
where:
bonds (distance) C4'-P energy: -67.959
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -103.452
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -142.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1481.398088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.398088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.398088 (E_RNA)
where:
Base-Base interactions energy: -1034.403
where: short stacking energy: -429.119
Base-Backbone interact. energy: 0.472
local terms energy: -447.467279
where:
bonds (distance) C4'-P energy: -86.487
bonds (distance) P-C4' energy: -82.594
flat angles C4'-P-C4' energy: -96.068
flat angles P-C4'-P energy: -62.080
tors. eta vs tors. theta energy: -120.238
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: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1438.375007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.375007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.375007 (E_RNA)
where:
Base-Base interactions energy: -994.465
where: short stacking energy: -402.032
Base-Backbone interact. energy: 0.452
local terms energy: -444.361598
where:
bonds (distance) C4'-P energy: -87.048
bonds (distance) P-C4' energy: -83.156
flat angles C4'-P-C4' energy: -98.201
flat angles P-C4'-P energy: -65.675
tors. eta vs tors. theta energy: -110.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1295.320118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.320118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.320118 (E_RNA)
where:
Base-Base interactions energy: -887.184
where: short stacking energy: -358.789
Base-Backbone interact. energy: -1.130
local terms energy: -407.005578
where:
bonds (distance) C4'-P energy: -79.629
bonds (distance) P-C4' energy: -72.776
flat angles C4'-P-C4' energy: -86.532
flat angles P-C4'-P energy: -71.496
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: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1049.978900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.978900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.978900 (E_RNA)
where:
Base-Base interactions energy: -687.046
where: short stacking energy: -304.326
Base-Backbone interact. energy: -1.443
local terms energy: -361.490537
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -72.928
flat angles C4'-P-C4' energy: -87.980
flat angles P-C4'-P energy: -54.694
tors. eta vs tors. theta energy: -62.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -914.236874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.236874 (E_RNA)
where:
Base-Base interactions energy: -577.721
where: short stacking energy: -247.611
Base-Backbone interact. energy: 0.916
local terms energy: -337.432855
where:
bonds (distance) C4'-P energy: -77.869
bonds (distance) P-C4' energy: -88.790
flat angles C4'-P-C4' energy: -75.543
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -45.146
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1876.655553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.655553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.655553 (E_RNA)
where:
Base-Base interactions energy: -1318.834
where: short stacking energy: -539.544
Base-Backbone interact. energy: -2.902
local terms energy: -554.919128
where:
bonds (distance) C4'-P energy: -98.477
bonds (distance) P-C4' energy: -101.521
flat angles C4'-P-C4' energy: -112.439
flat angles P-C4'-P energy: -80.580
tors. eta vs tors. theta energy: -161.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1838.517187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.517187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.517187 (E_RNA)
where:
Base-Base interactions energy: -1309.305
where: short stacking energy: -545.335
Base-Backbone interact. energy: -2.261
local terms energy: -526.950977
where:
bonds (distance) C4'-P energy: -93.711
bonds (distance) P-C4' energy: -103.326
flat angles C4'-P-C4' energy: -114.449
flat angles P-C4'-P energy: -69.064
tors. eta vs tors. theta energy: -146.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1725.242680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.242680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.242680 (E_RNA)
where:
Base-Base interactions energy: -1224.100
where: short stacking energy: -504.344
Base-Backbone interact. energy: -1.164
local terms energy: -499.978325
where:
bonds (distance) C4'-P energy: -76.528
bonds (distance) P-C4' energy: -89.992
flat angles C4'-P-C4' energy: -103.956
flat angles P-C4'-P energy: -79.416
tors. eta vs tors. theta energy: -150.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1649.510280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.510280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.510280 (E_RNA)
where:
Base-Base interactions energy: -1158.171
where: short stacking energy: -488.902
Base-Backbone interact. energy: -3.344
local terms energy: -487.995164
where:
bonds (distance) C4'-P energy: -77.175
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -109.414
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -139.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1578.713982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.713982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.713982 (E_RNA)
where:
Base-Base interactions energy: -1109.336
where: short stacking energy: -486.848
Base-Backbone interact. energy: -1.185
local terms energy: -468.193099
where:
bonds (distance) C4'-P energy: -78.474
bonds (distance) P-C4' energy: -85.704
flat angles C4'-P-C4' energy: -110.042
flat angles P-C4'-P energy: -65.049
tors. eta vs tors. theta energy: -128.924
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: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1535.039829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.039829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.039829 (E_RNA)
where:
Base-Base interactions energy: -1096.062
where: short stacking energy: -449.136
Base-Backbone interact. energy: -0.744
local terms energy: -438.234201
where:
bonds (distance) C4'-P energy: -66.568
bonds (distance) P-C4' energy: -93.716
flat angles C4'-P-C4' energy: -96.320
flat angles P-C4'-P energy: -64.103
tors. eta vs tors. theta energy: -117.527
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1468.323245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.323245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.323245 (E_RNA)
where:
Base-Base interactions energy: -1031.552
where: short stacking energy: -424.630
Base-Backbone interact. energy: -1.389
local terms energy: -435.382809
where:
bonds (distance) C4'-P energy: -78.909
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -95.063
flat angles P-C4'-P energy: -69.913
tors. eta vs tors. theta energy: -105.987
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: 179
Temperature: 1.250000
Total energy: -1336.508404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.508404 (E_RNA)
where:
Base-Base interactions energy: -924.099
where: short stacking energy: -393.408
Base-Backbone interact. energy: 0.050
local terms energy: -412.459157
where:
bonds (distance) C4'-P energy: -66.403
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -88.337
flat angles P-C4'-P energy: -58.056
tors. eta vs tors. theta energy: -103.241
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: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1035.216381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.216381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.216381 (E_RNA)
where:
Base-Base interactions energy: -661.011
where: short stacking energy: -284.536
Base-Backbone interact. energy: -1.700
local terms energy: -372.505233
where:
bonds (distance) C4'-P energy: -79.595
bonds (distance) P-C4' energy: -85.201
flat angles C4'-P-C4' energy: -85.603
flat angles P-C4'-P energy: -57.671
tors. eta vs tors. theta energy: -64.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -843.146166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.146166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.146166 (E_RNA)
where:
Base-Base interactions energy: -528.938
where: short stacking energy: -224.483
Base-Backbone interact. energy: 2.850
local terms energy: -317.057627
where:
bonds (distance) C4'-P energy: -82.233
bonds (distance) P-C4' energy: -84.720
flat angles C4'-P-C4' energy: -74.892
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1843.649284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.649284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.649284 (E_RNA)
where:
Base-Base interactions energy: -1319.081
where: short stacking energy: -528.961
Base-Backbone interact. energy: -1.601
local terms energy: -522.967696
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -105.325
flat angles C4'-P-C4' energy: -110.483
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -143.456
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: 180
Temperature: 0.950000
Total energy: -1828.211549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.211549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.211549 (E_RNA)
where:
Base-Base interactions energy: -1292.581
where: short stacking energy: -518.945
Base-Backbone interact. energy: -1.594
local terms energy: -534.036941
where:
bonds (distance) C4'-P energy: -92.228
bonds (distance) P-C4' energy: -95.090
flat angles C4'-P-C4' energy: -108.804
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -152.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1733.068375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.068375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.068375 (E_RNA)
where:
Base-Base interactions energy: -1208.222
where: short stacking energy: -515.273
Base-Backbone interact. energy: 0.278
local terms energy: -525.124453
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -97.739
flat angles C4'-P-C4' energy: -108.408
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -145.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1687.762383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.762383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.762383 (E_RNA)
where:
Base-Base interactions energy: -1194.354
where: short stacking energy: -485.703
Base-Backbone interact. energy: 1.456
local terms energy: -494.863743
where:
bonds (distance) C4'-P energy: -91.200
bonds (distance) P-C4' energy: -88.375
flat angles C4'-P-C4' energy: -103.583
flat angles P-C4'-P energy: -69.211
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: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1607.332969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.332969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.332969 (E_RNA)
where:
Base-Base interactions energy: -1124.809
where: short stacking energy: -486.751
Base-Backbone interact. energy: -1.505
local terms energy: -481.019441
where:
bonds (distance) C4'-P energy: -79.626
bonds (distance) P-C4' energy: -99.016
flat angles C4'-P-C4' energy: -101.172
flat angles P-C4'-P energy: -60.052
tors. eta vs tors. theta energy: -141.154
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: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1538.287238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.287238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.287238 (E_RNA)
where:
Base-Base interactions energy: -1093.995
where: short stacking energy: -446.718
Base-Backbone interact. energy: -2.946
local terms energy: -441.346114
where:
bonds (distance) C4'-P energy: -92.187
bonds (distance) P-C4' energy: -80.163
flat angles C4'-P-C4' energy: -99.731
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: -108.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1513.439440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.439440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.439440 (E_RNA)
where:
Base-Base interactions energy: -1066.943
where: short stacking energy: -429.962
Base-Backbone interact. energy: 0.731
local terms energy: -447.227668
where:
bonds (distance) C4'-P energy: -74.771
bonds (distance) P-C4' energy: -83.534
flat angles C4'-P-C4' energy: -93.830
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -123.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1326.400267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.400267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.400267 (E_RNA)
where:
Base-Base interactions energy: -920.907
where: short stacking energy: -375.364
Base-Backbone interact. energy: -2.324
local terms energy: -403.169007
where:
bonds (distance) C4'-P energy: -86.767
bonds (distance) P-C4' energy: -76.923
flat angles C4'-P-C4' energy: -102.813
flat angles P-C4'-P energy: -48.501
tors. eta vs tors. theta energy: -88.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1027.620067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.620067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.620067 (E_RNA)
where:
Base-Base interactions energy: -675.413
where: short stacking energy: -290.355
Base-Backbone interact. energy: -0.046
local terms energy: -352.161216
where:
bonds (distance) C4'-P energy: -71.815
bonds (distance) P-C4' energy: -87.693
flat angles C4'-P-C4' energy: -82.129
flat angles P-C4'-P energy: -52.095
tors. eta vs tors. theta energy: -58.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -840.460443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.460443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.460443 (E_RNA)
where:
Base-Base interactions energy: -506.544
where: short stacking energy: -210.940
Base-Backbone interact. energy: -2.160
local terms energy: -331.756686
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -72.132
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1844.794038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.794038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.794038 (E_RNA)
where:
Base-Base interactions energy: -1303.468
where: short stacking energy: -548.820
Base-Backbone interact. energy: -0.864
local terms energy: -540.461510
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -102.298
flat angles C4'-P-C4' energy: -114.780
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -147.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1814.191655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.191655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.191655 (E_RNA)
where:
Base-Base interactions energy: -1280.982
where: short stacking energy: -516.258
Base-Backbone interact. energy: -0.894
local terms energy: -532.314974
where:
bonds (distance) C4'-P energy: -96.588
bonds (distance) P-C4' energy: -96.314
flat angles C4'-P-C4' energy: -115.039
flat angles P-C4'-P energy: -80.198
tors. eta vs tors. theta energy: -144.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1707.719112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.719112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.719112 (E_RNA)
where:
Base-Base interactions energy: -1215.763
where: short stacking energy: -499.072
Base-Backbone interact. energy: 1.690
local terms energy: -493.645897
where:
bonds (distance) C4'-P energy: -89.389
bonds (distance) P-C4' energy: -89.079
flat angles C4'-P-C4' energy: -103.690
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: -140.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1645.897958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.897958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.897958 (E_RNA)
where:
Base-Base interactions energy: -1144.268
where: short stacking energy: -472.127
Base-Backbone interact. energy: -1.510
local terms energy: -500.119513
where:
bonds (distance) C4'-P energy: -100.093
bonds (distance) P-C4' energy: -89.581
flat angles C4'-P-C4' energy: -103.418
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -132.842
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1588.469710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.469710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.469710 (E_RNA)
where:
Base-Base interactions energy: -1138.557
where: short stacking energy: -484.418
Base-Backbone interact. energy: 1.013
local terms energy: -450.925560
where:
bonds (distance) C4'-P energy: -87.851
bonds (distance) P-C4' energy: -82.172
flat angles C4'-P-C4' energy: -99.911
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -115.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1559.141507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.141507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.141507 (E_RNA)
where:
Base-Base interactions energy: -1090.488
where: short stacking energy: -468.685
Base-Backbone interact. energy: -2.312
local terms energy: -466.341217
where:
bonds (distance) C4'-P energy: -89.969
bonds (distance) P-C4' energy: -74.219
flat angles C4'-P-C4' energy: -102.765
flat angles P-C4'-P energy: -61.567
tors. eta vs tors. theta energy: -137.821
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1530.835901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.835901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.835901 (E_RNA)
where:
Base-Base interactions energy: -1089.791
where: short stacking energy: -415.505
Base-Backbone interact. energy: -0.354
local terms energy: -440.691849
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -88.516
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -61.010
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1339.731013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.731013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.731013 (E_RNA)
where:
Base-Base interactions energy: -936.037
where: short stacking energy: -400.545
Base-Backbone interact. energy: 2.074
local terms energy: -405.767495
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -95.454
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -100.608
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: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1035.855104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.855104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.855104 (E_RNA)
where:
Base-Base interactions energy: -667.910
where: short stacking energy: -287.629
Base-Backbone interact. energy: -0.906
local terms energy: -367.039112
where:
bonds (distance) C4'-P energy: -76.970
bonds (distance) P-C4' energy: -90.010
flat angles C4'-P-C4' energy: -80.627
flat angles P-C4'-P energy: -52.449
tors. eta vs tors. theta energy: -66.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -813.242995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.242995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.242995 (E_RNA)
where:
Base-Base interactions energy: -529.513
where: short stacking energy: -222.969
Base-Backbone interact. energy: -3.069
local terms energy: -280.661249
where:
bonds (distance) C4'-P energy: -51.158
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -86.487
flat angles P-C4'-P energy: -51.434
tors. eta vs tors. theta energy: -22.243
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: 182
Temperature: 0.900000
Total energy: -1858.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.546308 (E_RNA)
where:
Base-Base interactions energy: -1307.023
where: short stacking energy: -528.376
Base-Backbone interact. energy: -1.886
local terms energy: -549.637583
where:
bonds (distance) C4'-P energy: -97.293
bonds (distance) P-C4' energy: -100.481
flat angles C4'-P-C4' energy: -119.993
flat angles P-C4'-P energy: -85.716
tors. eta vs tors. theta energy: -146.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1790.819204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.819204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.819204 (E_RNA)
where:
Base-Base interactions energy: -1283.556
where: short stacking energy: -533.617
Base-Backbone interact. energy: -1.657
local terms energy: -505.606433
where:
bonds (distance) C4'-P energy: -82.443
bonds (distance) P-C4' energy: -100.463
flat angles C4'-P-C4' energy: -105.587
flat angles P-C4'-P energy: -76.049
tors. eta vs tors. theta energy: -141.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1733.422857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.422857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.422857 (E_RNA)
where:
Base-Base interactions energy: -1237.973
where: short stacking energy: -501.289
Base-Backbone interact. energy: 5.396
local terms energy: -500.845922
where:
bonds (distance) C4'-P energy: -85.826
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -107.746
flat angles P-C4'-P energy: -64.745
tors. eta vs tors. theta energy: -140.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1673.964259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.964259 (E_RNA)
where:
Base-Base interactions energy: -1172.444
where: short stacking energy: -516.304
Base-Backbone interact. energy: -2.537
local terms energy: -498.983077
where:
bonds (distance) C4'-P energy: -89.875
bonds (distance) P-C4' energy: -81.675
flat angles C4'-P-C4' energy: -103.801
flat angles P-C4'-P energy: -74.039
tors. eta vs tors. theta energy: -149.593
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: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1589.974690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.974690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.974690 (E_RNA)
where:
Base-Base interactions energy: -1141.138
where: short stacking energy: -494.995
Base-Backbone interact. energy: 1.066
local terms energy: -449.901741
where:
bonds (distance) C4'-P energy: -72.491
bonds (distance) P-C4' energy: -83.057
flat angles C4'-P-C4' energy: -101.142
flat angles P-C4'-P energy: -58.383
tors. eta vs tors. theta energy: -134.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1535.478084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.478084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.478084 (E_RNA)
where:
Base-Base interactions energy: -1079.786
where: short stacking energy: -469.691
Base-Backbone interact. energy: -1.210
local terms energy: -454.482414
where:
bonds (distance) C4'-P energy: -75.868
bonds (distance) P-C4' energy: -86.288
flat angles C4'-P-C4' energy: -88.403
flat angles P-C4'-P energy: -72.005
tors. eta vs tors. theta energy: -131.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1474.889698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.889698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.889698 (E_RNA)
where:
Base-Base interactions energy: -1033.787
where: short stacking energy: -417.327
Base-Backbone interact. energy: -1.924
local terms energy: -439.178219
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -78.112
flat angles C4'-P-C4' energy: -105.432
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -116.267
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1364.013675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.013675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.013675 (E_RNA)
where:
Base-Base interactions energy: -956.885
where: short stacking energy: -392.894
Base-Backbone interact. energy: 1.104
local terms energy: -408.232538
where:
bonds (distance) C4'-P energy: -75.193
bonds (distance) P-C4' energy: -84.583
flat angles C4'-P-C4' energy: -93.783
flat angles P-C4'-P energy: -62.317
tors. eta vs tors. theta energy: -92.356
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: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1024.779040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.779040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.779040 (E_RNA)
where:
Base-Base interactions energy: -668.748
where: short stacking energy: -303.301
Base-Backbone interact. energy: -1.296
local terms energy: -354.735710
where:
bonds (distance) C4'-P energy: -74.070
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -70.187
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -65.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -842.445358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.445358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.445358 (E_RNA)
where:
Base-Base interactions energy: -541.672
where: short stacking energy: -244.128
Base-Backbone interact. energy: -0.904
local terms energy: -299.869605
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -73.687
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -55.938
tors. eta vs tors. theta energy: -23.919
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: 183
Temperature: 0.900000
Total energy: -1853.055628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.055628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.055628 (E_RNA)
where:
Base-Base interactions energy: -1328.645
where: short stacking energy: -537.861
Base-Backbone interact. energy: 0.433
local terms energy: -524.842751
where:
bonds (distance) C4'-P energy: -88.281
bonds (distance) P-C4' energy: -93.985
flat angles C4'-P-C4' energy: -106.756
flat angles P-C4'-P energy: -81.067
tors. eta vs tors. theta energy: -154.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1826.472106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.472106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.472106 (E_RNA)
where:
Base-Base interactions energy: -1298.052
where: short stacking energy: -533.595
Base-Backbone interact. energy: -2.168
local terms energy: -526.252704
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -149.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1756.972966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.972966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.972966 (E_RNA)
where:
Base-Base interactions energy: -1222.944
where: short stacking energy: -518.262
Base-Backbone interact. energy: -0.309
local terms energy: -533.719860
where:
bonds (distance) C4'-P energy: -96.803
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -107.453
flat angles P-C4'-P energy: -73.522
tors. eta vs tors. theta energy: -155.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1588.369151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.369151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.369151 (E_RNA)
where:
Base-Base interactions energy: -1117.939
where: short stacking energy: -495.637
Base-Backbone interact. energy: -2.605
local terms energy: -467.825407
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -83.766
flat angles C4'-P-C4' energy: -106.907
flat angles P-C4'-P energy: -70.357
tors. eta vs tors. theta energy: -136.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1590.231155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.231155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.231155 (E_RNA)
where:
Base-Base interactions energy: -1109.191
where: short stacking energy: -454.189
Base-Backbone interact. energy: -1.957
local terms energy: -479.083605
where:
bonds (distance) C4'-P energy: -95.954
bonds (distance) P-C4' energy: -87.554
flat angles C4'-P-C4' energy: -99.530
flat angles P-C4'-P energy: -64.668
tors. eta vs tors. theta energy: -131.378
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: 183
Temperature: 1.150000
Total energy: -1609.051174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.051174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.051174 (E_RNA)
where:
Base-Base interactions energy: -1126.844
where: short stacking energy: -467.093
Base-Backbone interact. energy: -0.206
local terms energy: -482.001445
where:
bonds (distance) C4'-P energy: -91.979
bonds (distance) P-C4' energy: -89.951
flat angles C4'-P-C4' energy: -102.602
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -133.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1476.661762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.661762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.661762 (E_RNA)
where:
Base-Base interactions energy: -1033.901
where: short stacking energy: -419.552
Base-Backbone interact. energy: 3.759
local terms energy: -446.520125
where:
bonds (distance) C4'-P energy: -91.674
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -96.835
flat angles P-C4'-P energy: -57.138
tors. eta vs tors. theta energy: -115.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1343.999936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.999936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.999936 (E_RNA)
where:
Base-Base interactions energy: -915.873
where: short stacking energy: -376.087
Base-Backbone interact. energy: -0.792
local terms energy: -427.334733
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -80.804
flat angles C4'-P-C4' energy: -88.181
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -110.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1108.449018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.449018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.449018 (E_RNA)
where:
Base-Base interactions energy: -751.685
where: short stacking energy: -313.040
Base-Backbone interact. energy: -1.987
local terms energy: -354.776277
where:
bonds (distance) C4'-P energy: -76.301
bonds (distance) P-C4' energy: -84.640
flat angles C4'-P-C4' energy: -68.494
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: -70.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -835.832530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.832530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.832530 (E_RNA)
where:
Base-Base interactions energy: -529.952
where: short stacking energy: -237.003
Base-Backbone interact. energy: 0.721
local terms energy: -306.601253
where:
bonds (distance) C4'-P energy: -78.096
bonds (distance) P-C4' energy: -70.419
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -48.951
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1884.083353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.083353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.083353 (E_RNA)
where:
Base-Base interactions energy: -1331.483
where: short stacking energy: -542.709
Base-Backbone interact. energy: -1.383
local terms energy: -551.217400
where:
bonds (distance) C4'-P energy: -103.694
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -114.352
flat angles P-C4'-P energy: -92.031
tors. eta vs tors. theta energy: -149.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1822.502593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.502593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.502593 (E_RNA)
where:
Base-Base interactions energy: -1284.935
where: short stacking energy: -544.910
Base-Backbone interact. energy: -2.688
local terms energy: -534.879208
where:
bonds (distance) C4'-P energy: -89.860
bonds (distance) P-C4' energy: -96.470
flat angles C4'-P-C4' energy: -115.052
flat angles P-C4'-P energy: -75.301
tors. eta vs tors. theta energy: -158.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1721.485804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.485804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.485804 (E_RNA)
where:
Base-Base interactions energy: -1194.445
where: short stacking energy: -490.304
Base-Backbone interact. energy: -1.971
local terms energy: -525.069452
where:
bonds (distance) C4'-P energy: -96.076
bonds (distance) P-C4' energy: -97.689
flat angles C4'-P-C4' energy: -113.959
flat angles P-C4'-P energy: -77.198
tors. eta vs tors. theta energy: -140.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1629.146078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.146078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.146078 (E_RNA)
where:
Base-Base interactions energy: -1155.463
where: short stacking energy: -484.573
Base-Backbone interact. energy: -1.305
local terms energy: -472.378611
where:
bonds (distance) C4'-P energy: -76.153
bonds (distance) P-C4' energy: -103.928
flat angles C4'-P-C4' energy: -94.852
flat angles P-C4'-P energy: -64.778
tors. eta vs tors. theta energy: -132.668
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1635.184625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.184625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.184625 (E_RNA)
where:
Base-Base interactions energy: -1134.526
where: short stacking energy: -494.444
Base-Backbone interact. energy: -1.203
local terms energy: -499.455444
where:
bonds (distance) C4'-P energy: -94.994
bonds (distance) P-C4' energy: -93.266
flat angles C4'-P-C4' energy: -99.975
flat angles P-C4'-P energy: -66.734
tors. eta vs tors. theta energy: -144.486
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: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1560.517585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.517585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.517585 (E_RNA)
where:
Base-Base interactions energy: -1083.015
where: short stacking energy: -454.274
Base-Backbone interact. energy: 2.062
local terms energy: -479.564923
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -89.242
flat angles C4'-P-C4' energy: -107.501
flat angles P-C4'-P energy: -68.488
tors. eta vs tors. theta energy: -126.712
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: 184
Temperature: 1.200000
Total energy: -1537.881869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.881869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.881869 (E_RNA)
where:
Base-Base interactions energy: -1108.366
where: short stacking energy: -467.790
Base-Backbone interact. energy: -0.475
local terms energy: -429.040930
where:
bonds (distance) C4'-P energy: -78.295
bonds (distance) P-C4' energy: -75.901
flat angles C4'-P-C4' energy: -97.414
flat angles P-C4'-P energy: -62.019
tors. eta vs tors. theta energy: -115.412
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: 184
Temperature: 1.250000
Total energy: -1355.341624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.341624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.341624 (E_RNA)
where:
Base-Base interactions energy: -946.613
where: short stacking energy: -388.152
Base-Backbone interact. energy: -0.879
local terms energy: -407.849680
where:
bonds (distance) C4'-P energy: -72.175
bonds (distance) P-C4' energy: -83.975
flat angles C4'-P-C4' energy: -95.908
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: -97.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1059.634968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.634968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.634968 (E_RNA)
where:
Base-Base interactions energy: -718.558
where: short stacking energy: -327.104
Base-Backbone interact. energy: -2.220
local terms energy: -338.856955
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -83.403
flat angles C4'-P-C4' energy: -79.526
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -70.777
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: 184
Temperature: 1.350000
Total energy: -890.600329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.600329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.600329 (E_RNA)
where:
Base-Base interactions energy: -583.239
where: short stacking energy: -242.764
Base-Backbone interact. energy: 5.456
local terms energy: -312.816992
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -83.649
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -38.075
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: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1874.849882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.849882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.849882 (E_RNA)
where:
Base-Base interactions energy: -1336.002
where: short stacking energy: -546.748
Base-Backbone interact. energy: -3.134
local terms energy: -535.713883
where:
bonds (distance) C4'-P energy: -91.437
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -113.130
flat angles P-C4'-P energy: -83.868
tors. eta vs tors. theta energy: -150.541
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: 185
Temperature: 0.950000
Total energy: -1814.188983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.188983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.188983 (E_RNA)
where:
Base-Base interactions energy: -1278.059
where: short stacking energy: -527.643
Base-Backbone interact. energy: 1.283
local terms energy: -537.413691
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -105.150
flat angles C4'-P-C4' energy: -113.256
flat angles P-C4'-P energy: -66.099
tors. eta vs tors. theta energy: -149.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1726.498464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.498464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.498464 (E_RNA)
where:
Base-Base interactions energy: -1207.272
where: short stacking energy: -510.649
Base-Backbone interact. energy: -0.912
local terms energy: -518.314177
where:
bonds (distance) C4'-P energy: -83.310
bonds (distance) P-C4' energy: -95.100
flat angles C4'-P-C4' energy: -107.860
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -148.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1680.730528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.730528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.730528 (E_RNA)
where:
Base-Base interactions energy: -1159.966
where: short stacking energy: -472.089
Base-Backbone interact. energy: -1.721
local terms energy: -519.043333
where:
bonds (distance) C4'-P energy: -93.839
bonds (distance) P-C4' energy: -92.619
flat angles C4'-P-C4' energy: -106.954
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -146.684
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: 185
Temperature: 1.100000
Total energy: -1584.173816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.173816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.173816 (E_RNA)
where:
Base-Base interactions energy: -1097.465
where: short stacking energy: -465.216
Base-Backbone interact. energy: -2.788
local terms energy: -483.920690
where:
bonds (distance) C4'-P energy: -80.643
bonds (distance) P-C4' energy: -91.505
flat angles C4'-P-C4' energy: -108.940
flat angles P-C4'-P energy: -78.448
tors. eta vs tors. theta energy: -124.385
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1579.274769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.274769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.274769 (E_RNA)
where:
Base-Base interactions energy: -1106.161
where: short stacking energy: -462.240
Base-Backbone interact. energy: -0.826
local terms energy: -472.288410
where:
bonds (distance) C4'-P energy: -94.718
bonds (distance) P-C4' energy: -78.481
flat angles C4'-P-C4' energy: -89.579
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: -143.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1504.556498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.556498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.556498 (E_RNA)
where:
Base-Base interactions energy: -1042.910
where: short stacking energy: -439.157
Base-Backbone interact. energy: -1.250
local terms energy: -460.396556
where:
bonds (distance) C4'-P energy: -83.675
bonds (distance) P-C4' energy: -74.655
flat angles C4'-P-C4' energy: -98.360
flat angles P-C4'-P energy: -74.599
tors. eta vs tors. theta energy: -129.107
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: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1414.506789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.506789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.506789 (E_RNA)
where:
Base-Base interactions energy: -987.776
where: short stacking energy: -402.878
Base-Backbone interact. energy: -2.390
local terms energy: -424.341234
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -87.010
flat angles C4'-P-C4' energy: -86.976
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -106.200
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: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -988.871615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.871615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.871615 (E_RNA)
where:
Base-Base interactions energy: -664.759
where: short stacking energy: -280.240
Base-Backbone interact. energy: 4.355
local terms energy: -328.467804
where:
bonds (distance) C4'-P energy: -64.832
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -76.775
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -43.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -861.973980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.973980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.973980 (E_RNA)
where:
Base-Base interactions energy: -541.609
where: short stacking energy: -241.583
Base-Backbone interact. energy: -2.132
local terms energy: -318.232691
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -85.229
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -44.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1868.038444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.038444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.038444 (E_RNA)
where:
Base-Base interactions energy: -1318.137
where: short stacking energy: -543.328
Base-Backbone interact. energy: -2.243
local terms energy: -547.657952
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -96.451
flat angles C4'-P-C4' energy: -120.040
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -158.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1811.368847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.368847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.368847 (E_RNA)
where:
Base-Base interactions energy: -1279.186
where: short stacking energy: -539.995
Base-Backbone interact. energy: -0.604
local terms energy: -531.577997
where:
bonds (distance) C4'-P energy: -93.067
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -114.975
flat angles P-C4'-P energy: -71.573
tors. eta vs tors. theta energy: -151.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1713.610621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.610621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.610621 (E_RNA)
where:
Base-Base interactions energy: -1194.256
where: short stacking energy: -516.041
Base-Backbone interact. energy: 0.882
local terms energy: -520.236758
where:
bonds (distance) C4'-P energy: -86.107
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -103.802
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -148.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1659.846647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.846647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.846647 (E_RNA)
where:
Base-Base interactions energy: -1149.932
where: short stacking energy: -483.431
Base-Backbone interact. energy: -3.083
local terms energy: -506.831529
where:
bonds (distance) C4'-P energy: -93.013
bonds (distance) P-C4' energy: -94.603
flat angles C4'-P-C4' energy: -109.916
flat angles P-C4'-P energy: -66.594
tors. eta vs tors. theta energy: -142.705
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: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1636.010732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.010732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.010732 (E_RNA)
where:
Base-Base interactions energy: -1154.025
where: short stacking energy: -482.183
Base-Backbone interact. energy: -0.516
local terms energy: -481.468923
where:
bonds (distance) C4'-P energy: -86.530
bonds (distance) P-C4' energy: -87.501
flat angles C4'-P-C4' energy: -110.552
flat angles P-C4'-P energy: -59.563
tors. eta vs tors. theta energy: -137.324
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: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1494.716625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.716625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.716625 (E_RNA)
where:
Base-Base interactions energy: -1037.640
where: short stacking energy: -442.204
Base-Backbone interact. energy: -1.136
local terms energy: -455.941381
where:
bonds (distance) C4'-P energy: -85.261
bonds (distance) P-C4' energy: -88.904
flat angles C4'-P-C4' energy: -97.916
flat angles P-C4'-P energy: -66.576
tors. eta vs tors. theta energy: -117.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1524.512197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.512197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.512197 (E_RNA)
where:
Base-Base interactions energy: -1066.977
where: short stacking energy: -441.125
Base-Backbone interact. energy: 2.304
local terms energy: -459.838789
where:
bonds (distance) C4'-P energy: -88.072
bonds (distance) P-C4' energy: -88.235
flat angles C4'-P-C4' energy: -97.821
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -112.426
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1378.957571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.957571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.957571 (E_RNA)
where:
Base-Base interactions energy: -961.300
where: short stacking energy: -409.792
Base-Backbone interact. energy: -0.478
local terms energy: -417.179430
where:
bonds (distance) C4'-P energy: -82.398
bonds (distance) P-C4' energy: -80.353
flat angles C4'-P-C4' energy: -87.103
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -113.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -992.781656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.781656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.781656 (E_RNA)
where:
Base-Base interactions energy: -649.428
where: short stacking energy: -280.810
Base-Backbone interact. energy: -1.679
local terms energy: -341.674629
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -71.602
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -55.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -869.483680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.483680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.483680 (E_RNA)
where:
Base-Base interactions energy: -521.823
where: short stacking energy: -222.508
Base-Backbone interact. energy: -2.249
local terms energy: -345.411463
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -84.691
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -32.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1845.645238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.645238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.645238 (E_RNA)
where:
Base-Base interactions energy: -1312.321
where: short stacking energy: -542.449
Base-Backbone interact. energy: 0.656
local terms energy: -533.980336
where:
bonds (distance) C4'-P energy: -95.779
bonds (distance) P-C4' energy: -92.027
flat angles C4'-P-C4' energy: -104.810
flat angles P-C4'-P energy: -88.099
tors. eta vs tors. theta energy: -153.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1812.835968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.835968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.835968 (E_RNA)
where:
Base-Base interactions energy: -1271.503
where: short stacking energy: -531.918
Base-Backbone interact. energy: -2.132
local terms energy: -539.201382
where:
bonds (distance) C4'-P energy: -105.294
bonds (distance) P-C4' energy: -89.996
flat angles C4'-P-C4' energy: -113.918
flat angles P-C4'-P energy: -77.942
tors. eta vs tors. theta energy: -152.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1736.979585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.979585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.979585 (E_RNA)
where:
Base-Base interactions energy: -1218.523
where: short stacking energy: -522.753
Base-Backbone interact. energy: -1.045
local terms energy: -517.411298
where:
bonds (distance) C4'-P energy: -88.577
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -104.332
flat angles P-C4'-P energy: -74.795
tors. eta vs tors. theta energy: -157.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1660.945596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.945596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.945596 (E_RNA)
where:
Base-Base interactions energy: -1163.719
where: short stacking energy: -497.798
Base-Backbone interact. energy: 0.529
local terms energy: -497.754983
where:
bonds (distance) C4'-P energy: -78.685
bonds (distance) P-C4' energy: -97.655
flat angles C4'-P-C4' energy: -108.322
flat angles P-C4'-P energy: -79.912
tors. eta vs tors. theta energy: -133.182
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1643.034860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.034860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.034860 (E_RNA)
where:
Base-Base interactions energy: -1163.680
where: short stacking energy: -455.005
Base-Backbone interact. energy: 0.269
local terms energy: -479.623236
where:
bonds (distance) C4'-P energy: -83.460
bonds (distance) P-C4' energy: -93.141
flat angles C4'-P-C4' energy: -97.431
flat angles P-C4'-P energy: -79.422
tors. eta vs tors. theta energy: -126.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1546.314706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.314706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.314706 (E_RNA)
where:
Base-Base interactions energy: -1073.670
where: short stacking energy: -449.775
Base-Backbone interact. energy: -2.567
local terms energy: -470.077271
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -102.368
flat angles P-C4'-P energy: -65.651
tors. eta vs tors. theta energy: -129.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1480.521950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.521950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.521950 (E_RNA)
where:
Base-Base interactions energy: -1050.269
where: short stacking energy: -456.481
Base-Backbone interact. energy: -1.155
local terms energy: -429.097849
where:
bonds (distance) C4'-P energy: -63.272
bonds (distance) P-C4' energy: -77.396
flat angles C4'-P-C4' energy: -101.418
flat angles P-C4'-P energy: -64.426
tors. eta vs tors. theta energy: -122.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1375.241089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.241089 (E_RNA)
where:
Base-Base interactions energy: -969.126
where: short stacking energy: -405.904
Base-Backbone interact. energy: -0.954
local terms energy: -405.160547
where:
bonds (distance) C4'-P energy: -71.817
bonds (distance) P-C4' energy: -75.098
flat angles C4'-P-C4' energy: -87.158
flat angles P-C4'-P energy: -60.671
tors. eta vs tors. theta energy: -110.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -983.958708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.958708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.958708 (E_RNA)
where:
Base-Base interactions energy: -659.238
where: short stacking energy: -268.616
Base-Backbone interact. energy: 1.188
local terms energy: -325.908368
where:
bonds (distance) C4'-P energy: -83.704
bonds (distance) P-C4' energy: -80.127
flat angles C4'-P-C4' energy: -82.255
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -50.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -897.685303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.685303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.685303 (E_RNA)
where:
Base-Base interactions energy: -576.948
where: short stacking energy: -259.864
Base-Backbone interact. energy: 0.481
local terms energy: -321.219073
where:
bonds (distance) C4'-P energy: -76.798
bonds (distance) P-C4' energy: -84.407
flat angles C4'-P-C4' energy: -71.433
flat angles P-C4'-P energy: -46.974
tors. eta vs tors. theta energy: -41.607
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1838.294332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.294332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.294332 (E_RNA)
where:
Base-Base interactions energy: -1307.912
where: short stacking energy: -535.558
Base-Backbone interact. energy: -2.678
local terms energy: -527.704132
where:
bonds (distance) C4'-P energy: -82.764
bonds (distance) P-C4' energy: -106.824
flat angles C4'-P-C4' energy: -113.874
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -147.098
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1795.475782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.475782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.475782 (E_RNA)
where:
Base-Base interactions energy: -1271.280
where: short stacking energy: -519.198
Base-Backbone interact. energy: -4.323
local terms energy: -519.872469
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -117.378
flat angles P-C4'-P energy: -73.828
tors. eta vs tors. theta energy: -138.841
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1743.267613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.267613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.267613 (E_RNA)
where:
Base-Base interactions energy: -1252.617
where: short stacking energy: -527.352
Base-Backbone interact. energy: -0.739
local terms energy: -489.911864
where:
bonds (distance) C4'-P energy: -68.951
bonds (distance) P-C4' energy: -98.448
flat angles C4'-P-C4' energy: -100.677
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -155.678
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: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1674.815840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.815840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.815840 (E_RNA)
where:
Base-Base interactions energy: -1178.826
where: short stacking energy: -516.060
Base-Backbone interact. energy: -1.035
local terms energy: -494.955257
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -85.472
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -58.803
tors. eta vs tors. theta energy: -146.139
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: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1619.909354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.909354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.909354 (E_RNA)
where:
Base-Base interactions energy: -1147.905
where: short stacking energy: -463.817
Base-Backbone interact. energy: -1.125
local terms energy: -470.879517
where:
bonds (distance) C4'-P energy: -72.943
bonds (distance) P-C4' energy: -91.320
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -67.136
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1536.026742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.026742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.026742 (E_RNA)
where:
Base-Base interactions energy: -1097.348
where: short stacking energy: -470.267
Base-Backbone interact. energy: 1.819
local terms energy: -440.497764
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -87.258
flat angles C4'-P-C4' energy: -96.500
flat angles P-C4'-P energy: -59.366
tors. eta vs tors. theta energy: -128.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1462.257426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.257426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.257426 (E_RNA)
where:
Base-Base interactions energy: -1033.636
where: short stacking energy: -421.538
Base-Backbone interact. energy: -0.793
local terms energy: -427.828573
where:
bonds (distance) C4'-P energy: -81.379
bonds (distance) P-C4' energy: -74.187
flat angles C4'-P-C4' energy: -97.376
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -117.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1413.737106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.737106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.737106 (E_RNA)
where:
Base-Base interactions energy: -995.774
where: short stacking energy: -391.502
Base-Backbone interact. energy: -0.527
local terms energy: -417.436188
where:
bonds (distance) C4'-P energy: -81.380
bonds (distance) P-C4' energy: -71.203
flat angles C4'-P-C4' energy: -94.707
flat angles P-C4'-P energy: -59.053
tors. eta vs tors. theta energy: -111.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1044.312543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.312543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.312543 (E_RNA)
where:
Base-Base interactions energy: -712.796
where: short stacking energy: -302.478
Base-Backbone interact. energy: 3.376
local terms energy: -334.891808
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -71.941
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -62.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -870.556422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.556422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.556422 (E_RNA)
where:
Base-Base interactions energy: -546.012
where: short stacking energy: -247.934
Base-Backbone interact. energy: -0.199
local terms energy: -324.345519
where:
bonds (distance) C4'-P energy: -88.913
bonds (distance) P-C4' energy: -65.089
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: -40.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1858.584171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.584171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.584171 (E_RNA)
where:
Base-Base interactions energy: -1324.264
where: short stacking energy: -533.087
Base-Backbone interact. energy: -1.495
local terms energy: -532.825318
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -114.321
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -154.261
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: 189
Temperature: 0.950000
Total energy: -1806.390690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.390690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.390690 (E_RNA)
where:
Base-Base interactions energy: -1290.927
where: short stacking energy: -542.538
Base-Backbone interact. energy: -2.155
local terms energy: -513.309257
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -103.280
flat angles C4'-P-C4' energy: -111.189
flat angles P-C4'-P energy: -70.855
tors. eta vs tors. theta energy: -152.256
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1743.155095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.155095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.155095 (E_RNA)
where:
Base-Base interactions energy: -1226.451
where: short stacking energy: -509.082
Base-Backbone interact. energy: -2.075
local terms energy: -514.628693
where:
bonds (distance) C4'-P energy: -94.645
bonds (distance) P-C4' energy: -91.007
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: -146.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1654.043335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.043335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.043335 (E_RNA)
where:
Base-Base interactions energy: -1158.826
where: short stacking energy: -471.668
Base-Backbone interact. energy: -0.668
local terms energy: -494.549504
where:
bonds (distance) C4'-P energy: -77.925
bonds (distance) P-C4' energy: -97.232
flat angles C4'-P-C4' energy: -104.871
flat angles P-C4'-P energy: -72.204
tors. eta vs tors. theta energy: -142.318
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1619.120933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.120933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.120933 (E_RNA)
where:
Base-Base interactions energy: -1134.024
where: short stacking energy: -451.380
Base-Backbone interact. energy: 1.330
local terms energy: -486.427284
where:
bonds (distance) C4'-P energy: -86.670
bonds (distance) P-C4' energy: -96.592
flat angles C4'-P-C4' energy: -102.751
flat angles P-C4'-P energy: -67.199
tors. eta vs tors. theta energy: -133.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1541.160046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.160046 (E_RNA)
where:
Base-Base interactions energy: -1084.825
where: short stacking energy: -448.709
Base-Backbone interact. energy: 5.356
local terms energy: -461.690697
where:
bonds (distance) C4'-P energy: -80.332
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -97.569
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -130.504
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: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1451.909537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.909537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.909537 (E_RNA)
where:
Base-Base interactions energy: -1005.348
where: short stacking energy: -409.716
Base-Backbone interact. energy: -0.590
local terms energy: -445.970947
where:
bonds (distance) C4'-P energy: -76.702
bonds (distance) P-C4' energy: -88.614
flat angles C4'-P-C4' energy: -104.905
flat angles P-C4'-P energy: -63.341
tors. eta vs tors. theta energy: -112.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1385.306388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.306388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.306388 (E_RNA)
where:
Base-Base interactions energy: -968.065
where: short stacking energy: -415.916
Base-Backbone interact. energy: 0.852
local terms energy: -418.093482
where:
bonds (distance) C4'-P energy: -68.501
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -89.862
flat angles P-C4'-P energy: -65.829
tors. eta vs tors. theta energy: -110.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1007.691870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.691870 (E_RNA)
where:
Base-Base interactions energy: -689.515
where: short stacking energy: -260.443
Base-Backbone interact. energy: 7.704
local terms energy: -325.881400
where:
bonds (distance) C4'-P energy: -74.933
bonds (distance) P-C4' energy: -78.881
flat angles C4'-P-C4' energy: -83.963
flat angles P-C4'-P energy: -35.875
tors. eta vs tors. theta energy: -52.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -946.398492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.398492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.398492 (E_RNA)
where:
Base-Base interactions energy: -617.435
where: short stacking energy: -284.349
Base-Backbone interact. energy: -2.179
local terms energy: -326.784559
where:
bonds (distance) C4'-P energy: -75.180
bonds (distance) P-C4' energy: -75.369
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -46.159
tors. eta vs tors. theta energy: -56.991
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: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1868.423941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.423941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.423941 (E_RNA)
where:
Base-Base interactions energy: -1313.395
where: short stacking energy: -539.305
Base-Backbone interact. energy: -3.902
local terms energy: -551.127298
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -101.427
flat angles C4'-P-C4' energy: -116.126
flat angles P-C4'-P energy: -80.454
tors. eta vs tors. theta energy: -155.618
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1770.906036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.906036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.906036 (E_RNA)
where:
Base-Base interactions energy: -1236.854
where: short stacking energy: -509.625
Base-Backbone interact. energy: -0.919
local terms energy: -533.132752
where:
bonds (distance) C4'-P energy: -93.539
bonds (distance) P-C4' energy: -96.076
flat angles C4'-P-C4' energy: -110.764
flat angles P-C4'-P energy: -74.978
tors. eta vs tors. theta energy: -157.775
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: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1720.873226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.873226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.873226 (E_RNA)
where:
Base-Base interactions energy: -1206.279
where: short stacking energy: -521.759
Base-Backbone interact. energy: -2.561
local terms energy: -512.033423
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -89.461
flat angles C4'-P-C4' energy: -115.195
flat angles P-C4'-P energy: -67.327
tors. eta vs tors. theta energy: -149.878
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1675.798650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.798650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.798650 (E_RNA)
where:
Base-Base interactions energy: -1167.628
where: short stacking energy: -518.808
Base-Backbone interact. energy: 1.128
local terms energy: -509.298516
where:
bonds (distance) C4'-P energy: -94.898
bonds (distance) P-C4' energy: -88.696
flat angles C4'-P-C4' energy: -104.699
flat angles P-C4'-P energy: -70.816
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1644.975233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.975233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.975233 (E_RNA)
where:
Base-Base interactions energy: -1174.293
where: short stacking energy: -491.667
Base-Backbone interact. energy: -2.896
local terms energy: -467.786511
where:
bonds (distance) C4'-P energy: -73.451
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -97.800
flat angles P-C4'-P energy: -69.096
tors. eta vs tors. theta energy: -139.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1537.654740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.654740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.654740 (E_RNA)
where:
Base-Base interactions energy: -1094.969
where: short stacking energy: -453.237
Base-Backbone interact. energy: -1.213
local terms energy: -441.472389
where:
bonds (distance) C4'-P energy: -80.045
bonds (distance) P-C4' energy: -81.262
flat angles C4'-P-C4' energy: -85.428
flat angles P-C4'-P energy: -69.664
tors. eta vs tors. theta energy: -125.074
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: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1538.941872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.941872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.941872 (E_RNA)
where:
Base-Base interactions energy: -1081.098
where: short stacking energy: -428.009
Base-Backbone interact. energy: 0.058
local terms energy: -457.901277
where:
bonds (distance) C4'-P energy: -84.104
bonds (distance) P-C4' energy: -80.453
flat angles C4'-P-C4' energy: -106.977
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -118.729
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: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1466.400283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.400283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.400283 (E_RNA)
where:
Base-Base interactions energy: -1040.726
where: short stacking energy: -413.947
Base-Backbone interact. energy: -2.738
local terms energy: -422.935893
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -83.889
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: -124.717
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: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -967.343434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.343434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.343434 (E_RNA)
where:
Base-Base interactions energy: -645.089
where: short stacking energy: -278.123
Base-Backbone interact. energy: -1.486
local terms energy: -320.768497
where:
bonds (distance) C4'-P energy: -83.320
bonds (distance) P-C4' energy: -77.929
flat angles C4'-P-C4' energy: -71.727
flat angles P-C4'-P energy: -43.905
tors. eta vs tors. theta energy: -43.887
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -959.361679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.361679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.361679 (E_RNA)
where:
Base-Base interactions energy: -625.455
where: short stacking energy: -283.664
Base-Backbone interact. energy: 3.797
local terms energy: -337.704012
where:
bonds (distance) C4'-P energy: -66.554
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: -54.060
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: 191
Temperature: 0.900000
Total energy: -1854.737241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.737241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.737241 (E_RNA)
where:
Base-Base interactions energy: -1323.213
where: short stacking energy: -536.441
Base-Backbone interact. energy: -2.376
local terms energy: -529.148325
where:
bonds (distance) C4'-P energy: -87.277
bonds (distance) P-C4' energy: -91.401
flat angles C4'-P-C4' energy: -108.592
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -157.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1788.914624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.914624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.914624 (E_RNA)
where:
Base-Base interactions energy: -1265.861
where: short stacking energy: -513.232
Base-Backbone interact. energy: -0.302
local terms energy: -522.751282
where:
bonds (distance) C4'-P energy: -97.154
bonds (distance) P-C4' energy: -102.533
flat angles C4'-P-C4' energy: -103.933
flat angles P-C4'-P energy: -75.189
tors. eta vs tors. theta energy: -143.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1712.820612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.820612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.820612 (E_RNA)
where:
Base-Base interactions energy: -1195.136
where: short stacking energy: -506.025
Base-Backbone interact. energy: -0.242
local terms energy: -517.442684
where:
bonds (distance) C4'-P energy: -99.718
bonds (distance) P-C4' energy: -94.568
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -70.767
tors. eta vs tors. theta energy: -147.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1657.674544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.674544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.674544 (E_RNA)
where:
Base-Base interactions energy: -1153.235
where: short stacking energy: -479.761
Base-Backbone interact. energy: -2.631
local terms energy: -501.808669
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -101.530
flat angles C4'-P-C4' energy: -97.341
flat angles P-C4'-P energy: -67.093
tors. eta vs tors. theta energy: -147.482
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: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1618.423607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.423607 (E_RNA)
where:
Base-Base interactions energy: -1150.438
where: short stacking energy: -469.935
Base-Backbone interact. energy: -3.105
local terms energy: -464.880218
where:
bonds (distance) C4'-P energy: -84.430
bonds (distance) P-C4' energy: -77.743
flat angles C4'-P-C4' energy: -97.198
flat angles P-C4'-P energy: -69.269
tors. eta vs tors. theta energy: -136.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1565.292090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.292090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.292090 (E_RNA)
where:
Base-Base interactions energy: -1089.186
where: short stacking energy: -451.402
Base-Backbone interact. energy: 0.776
local terms energy: -476.881857
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -102.200
flat angles P-C4'-P energy: -76.229
tors. eta vs tors. theta energy: -126.268
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1530.284855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.284855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.284855 (E_RNA)
where:
Base-Base interactions energy: -1073.501
where: short stacking energy: -420.177
Base-Backbone interact. energy: 0.172
local terms energy: -456.955998
where:
bonds (distance) C4'-P energy: -87.689
bonds (distance) P-C4' energy: -80.375
flat angles C4'-P-C4' energy: -102.063
flat angles P-C4'-P energy: -67.884
tors. eta vs tors. theta energy: -118.945
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: 191
Temperature: 1.250000
Total energy: -1422.062263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.062263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.062263 (E_RNA)
where:
Base-Base interactions energy: -1004.744
where: short stacking energy: -419.403
Base-Backbone interact. energy: 3.921
local terms energy: -421.238461
where:
bonds (distance) C4'-P energy: -87.359
bonds (distance) P-C4' energy: -70.270
flat angles C4'-P-C4' energy: -88.866
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -108.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -939.928452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.928452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.928452 (E_RNA)
where:
Base-Base interactions energy: -603.114
where: short stacking energy: -279.879
Base-Backbone interact. energy: -1.627
local terms energy: -335.187113
where:
bonds (distance) C4'-P energy: -64.013
bonds (distance) P-C4' energy: -85.167
flat angles C4'-P-C4' energy: -81.506
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -54.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -912.243005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.243005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.243005 (E_RNA)
where:
Base-Base interactions energy: -572.667
where: short stacking energy: -235.371
Base-Backbone interact. energy: -1.898
local terms energy: -337.677961
where:
bonds (distance) C4'-P energy: -75.053
bonds (distance) P-C4' energy: -94.145
flat angles C4'-P-C4' energy: -73.503
flat angles P-C4'-P energy: -53.449
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1853.598941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.598941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.598941 (E_RNA)
where:
Base-Base interactions energy: -1333.894
where: short stacking energy: -531.396
Base-Backbone interact. energy: -0.872
local terms energy: -518.833083
where:
bonds (distance) C4'-P energy: -100.499
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -77.358
tors. eta vs tors. theta energy: -147.294
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: 192
Temperature: 0.950000
Total energy: -1810.529008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.529008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.529008 (E_RNA)
where:
Base-Base interactions energy: -1281.510
where: short stacking energy: -526.329
Base-Backbone interact. energy: -2.979
local terms energy: -526.039576
where:
bonds (distance) C4'-P energy: -86.463
bonds (distance) P-C4' energy: -91.780
flat angles C4'-P-C4' energy: -111.995
flat angles P-C4'-P energy: -84.636
tors. eta vs tors. theta energy: -151.165
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: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1719.617785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.617785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.617785 (E_RNA)
where:
Base-Base interactions energy: -1190.070
where: short stacking energy: -504.246
Base-Backbone interact. energy: -1.433
local terms energy: -528.114013
where:
bonds (distance) C4'-P energy: -97.561
bonds (distance) P-C4' energy: -97.923
flat angles C4'-P-C4' energy: -114.003
flat angles P-C4'-P energy: -70.783
tors. eta vs tors. theta energy: -147.844
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: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1652.774460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.774460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.774460 (E_RNA)
where:
Base-Base interactions energy: -1165.619
where: short stacking energy: -494.294
Base-Backbone interact. energy: -0.716
local terms energy: -486.439449
where:
bonds (distance) C4'-P energy: -76.194
bonds (distance) P-C4' energy: -81.857
flat angles C4'-P-C4' energy: -111.091
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -150.640
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: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1648.391464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.391464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.391464 (E_RNA)
where:
Base-Base interactions energy: -1174.877
where: short stacking energy: -496.949
Base-Backbone interact. energy: 0.648
local terms energy: -474.161952
where:
bonds (distance) C4'-P energy: -74.843
bonds (distance) P-C4' energy: -88.803
flat angles C4'-P-C4' energy: -94.416
flat angles P-C4'-P energy: -73.220
tors. eta vs tors. theta energy: -142.879
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: 192
Temperature: 1.150000
Total energy: -1502.164050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.164050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.164050 (E_RNA)
where:
Base-Base interactions energy: -1047.572
where: short stacking energy: -428.401
Base-Backbone interact. energy: -1.982
local terms energy: -452.609612
where:
bonds (distance) C4'-P energy: -96.241
bonds (distance) P-C4' energy: -82.089
flat angles C4'-P-C4' energy: -100.590
flat angles P-C4'-P energy: -56.385
tors. eta vs tors. theta energy: -117.305
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: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1536.097941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.097941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.097941 (E_RNA)
where:
Base-Base interactions energy: -1097.692
where: short stacking energy: -444.936
Base-Backbone interact. energy: -1.301
local terms energy: -437.105601
where:
bonds (distance) C4'-P energy: -78.681
bonds (distance) P-C4' energy: -84.342
flat angles C4'-P-C4' energy: -91.079
flat angles P-C4'-P energy: -68.431
tors. eta vs tors. theta energy: -114.573
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: 192
Temperature: 1.250000
Total energy: -1396.206344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.206344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.206344 (E_RNA)
where:
Base-Base interactions energy: -969.830
where: short stacking energy: -404.725
Base-Backbone interact. energy: -1.544
local terms energy: -424.832342
where:
bonds (distance) C4'-P energy: -87.196
bonds (distance) P-C4' energy: -80.483
flat angles C4'-P-C4' energy: -97.978
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -104.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -898.837587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.837587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.837587 (E_RNA)
where:
Base-Base interactions energy: -582.099
where: short stacking energy: -262.625
Base-Backbone interact. energy: -0.532
local terms energy: -316.206251
where:
bonds (distance) C4'-P energy: -73.901
bonds (distance) P-C4' energy: -79.992
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -888.736235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.736235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.736235 (E_RNA)
where:
Base-Base interactions energy: -538.622
where: short stacking energy: -253.452
Base-Backbone interact. energy: -2.572
local terms energy: -347.542722
where:
bonds (distance) C4'-P energy: -81.434
bonds (distance) P-C4' energy: -93.512
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -48.958
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: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1867.154873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.154873 (E_RNA)
where:
Base-Base interactions energy: -1336.824
where: short stacking energy: -529.905
Base-Backbone interact. energy: -1.513
local terms energy: -528.817713
where:
bonds (distance) C4'-P energy: -102.361
bonds (distance) P-C4' energy: -101.590
flat angles C4'-P-C4' energy: -112.735
flat angles P-C4'-P energy: -71.105
tors. eta vs tors. theta energy: -141.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1817.828715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.828715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.828715 (E_RNA)
where:
Base-Base interactions energy: -1274.824
where: short stacking energy: -543.052
Base-Backbone interact. energy: -3.484
local terms energy: -539.521005
where:
bonds (distance) C4'-P energy: -93.298
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -112.209
flat angles P-C4'-P energy: -79.234
tors. eta vs tors. theta energy: -155.667
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1715.121638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.121638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.121638 (E_RNA)
where:
Base-Base interactions energy: -1207.419
where: short stacking energy: -508.757
Base-Backbone interact. energy: -2.042
local terms energy: -505.660730
where:
bonds (distance) C4'-P energy: -80.034
bonds (distance) P-C4' energy: -90.947
flat angles C4'-P-C4' energy: -114.085
flat angles P-C4'-P energy: -68.060
tors. eta vs tors. theta energy: -152.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1672.002789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.002789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.002789 (E_RNA)
where:
Base-Base interactions energy: -1160.108
where: short stacking energy: -488.521
Base-Backbone interact. energy: -0.908
local terms energy: -510.986844
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -93.536
flat angles C4'-P-C4' energy: -104.600
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: -146.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1619.089925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.089925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.089925 (E_RNA)
where:
Base-Base interactions energy: -1118.007
where: short stacking energy: -455.079
Base-Backbone interact. energy: -1.488
local terms energy: -499.594385
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -102.270
flat angles C4'-P-C4' energy: -94.480
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -131.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1587.377261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.377261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.377261 (E_RNA)
where:
Base-Base interactions energy: -1126.036
where: short stacking energy: -453.473
Base-Backbone interact. energy: 4.280
local terms energy: -465.620680
where:
bonds (distance) C4'-P energy: -92.646
bonds (distance) P-C4' energy: -92.049
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -50.160
tors. eta vs tors. theta energy: -126.071
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: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1473.132282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.132282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.132282 (E_RNA)
where:
Base-Base interactions energy: -1037.504
where: short stacking energy: -442.830
Base-Backbone interact. energy: 0.152
local terms energy: -435.780123
where:
bonds (distance) C4'-P energy: -67.023
bonds (distance) P-C4' energy: -84.323
flat angles C4'-P-C4' energy: -96.055
flat angles P-C4'-P energy: -63.787
tors. eta vs tors. theta energy: -124.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1379.179396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.179396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.179396 (E_RNA)
where:
Base-Base interactions energy: -965.278
where: short stacking energy: -410.955
Base-Backbone interact. energy: 1.249
local terms energy: -415.150086
where:
bonds (distance) C4'-P energy: -75.943
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -94.387
flat angles P-C4'-P energy: -62.640
tors. eta vs tors. theta energy: -115.933
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -897.558206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.558206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.558206 (E_RNA)
where:
Base-Base interactions energy: -562.791
where: short stacking energy: -252.676
Base-Backbone interact. energy: -1.021
local terms energy: -333.745625
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -94.552
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -38.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -851.994708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.994708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.994708 (E_RNA)
where:
Base-Base interactions energy: -545.654
where: short stacking energy: -235.464
Base-Backbone interact. energy: 3.359
local terms energy: -309.699668
where:
bonds (distance) C4'-P energy: -70.781
bonds (distance) P-C4' energy: -65.665
flat angles C4'-P-C4' energy: -67.101
flat angles P-C4'-P energy: -56.633
tors. eta vs tors. theta energy: -49.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1863.152959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.152959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.152959 (E_RNA)
where:
Base-Base interactions energy: -1315.819
where: short stacking energy: -538.095
Base-Backbone interact. energy: -1.415
local terms energy: -545.918485
where:
bonds (distance) C4'-P energy: -94.874
bonds (distance) P-C4' energy: -100.030
flat angles C4'-P-C4' energy: -118.181
flat angles P-C4'-P energy: -80.256
tors. eta vs tors. theta energy: -152.578
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: 194
Temperature: 0.950000
Total energy: -1791.934491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.934491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.934491 (E_RNA)
where:
Base-Base interactions energy: -1269.780
where: short stacking energy: -510.608
Base-Backbone interact. energy: -1.524
local terms energy: -520.630572
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -102.606
flat angles P-C4'-P energy: -76.102
tors. eta vs tors. theta energy: -150.728
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1700.437286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.437286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.437286 (E_RNA)
where:
Base-Base interactions energy: -1208.611
where: short stacking energy: -517.009
Base-Backbone interact. energy: -1.363
local terms energy: -490.463148
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -85.869
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -75.551
tors. eta vs tors. theta energy: -151.765
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1648.608740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.608740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.608740 (E_RNA)
where:
Base-Base interactions energy: -1144.200
where: short stacking energy: -480.115
Base-Backbone interact. energy: -1.211
local terms energy: -503.198255
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -109.725
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: -141.387
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1667.548708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.548708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.548708 (E_RNA)
where:
Base-Base interactions energy: -1185.990
where: short stacking energy: -497.195
Base-Backbone interact. energy: 0.519
local terms energy: -482.077896
where:
bonds (distance) C4'-P energy: -88.390
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -96.228
flat angles P-C4'-P energy: -71.656
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: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1581.274003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.274003 (E_RNA)
where:
Base-Base interactions energy: -1107.620
where: short stacking energy: -453.412
Base-Backbone interact. energy: -1.078
local terms energy: -472.575780
where:
bonds (distance) C4'-P energy: -79.841
bonds (distance) P-C4' energy: -98.210
flat angles C4'-P-C4' energy: -106.979
flat angles P-C4'-P energy: -53.906
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: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1507.718047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.718047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.718047 (E_RNA)
where:
Base-Base interactions energy: -1070.766
where: short stacking energy: -434.083
Base-Backbone interact. energy: -2.078
local terms energy: -434.873894
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -86.072
flat angles C4'-P-C4' energy: -91.862
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -121.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1350.644519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.644519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.644519 (E_RNA)
where:
Base-Base interactions energy: -934.857
where: short stacking energy: -383.372
Base-Backbone interact. energy: -1.446
local terms energy: -414.341536
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -82.429
flat angles C4'-P-C4' energy: -86.092
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: -107.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -910.598778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.598778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.598778 (E_RNA)
where:
Base-Base interactions energy: -577.462
where: short stacking energy: -275.729
Base-Backbone interact. energy: -0.998
local terms energy: -332.139124
where:
bonds (distance) C4'-P energy: -79.532
bonds (distance) P-C4' energy: -87.909
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -868.442811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.442811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.442811 (E_RNA)
where:
Base-Base interactions energy: -559.086
where: short stacking energy: -257.170
Base-Backbone interact. energy: 0.778
local terms energy: -310.134740
where:
bonds (distance) C4'-P energy: -70.331
bonds (distance) P-C4' energy: -82.433
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1850.100942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.100942 (E_RNA)
where:
Base-Base interactions energy: -1318.387
where: short stacking energy: -549.819
Base-Backbone interact. energy: 0.749
local terms energy: -532.463357
where:
bonds (distance) C4'-P energy: -98.130
bonds (distance) P-C4' energy: -91.554
flat angles C4'-P-C4' energy: -112.411
flat angles P-C4'-P energy: -76.313
tors. eta vs tors. theta energy: -154.054
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: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1783.704968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.704968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.704968 (E_RNA)
where:
Base-Base interactions energy: -1259.274
where: short stacking energy: -521.633
Base-Backbone interact. energy: -1.031
local terms energy: -523.400361
where:
bonds (distance) C4'-P energy: -88.130
bonds (distance) P-C4' energy: -96.858
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -79.470
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: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1712.187982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.187982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.187982 (E_RNA)
where:
Base-Base interactions energy: -1227.363
where: short stacking energy: -525.259
Base-Backbone interact. energy: 1.412
local terms energy: -486.236777
where:
bonds (distance) C4'-P energy: -83.738
bonds (distance) P-C4' energy: -87.362
flat angles C4'-P-C4' energy: -103.988
flat angles P-C4'-P energy: -61.737
tors. eta vs tors. theta energy: -149.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1671.344771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.344771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.344771 (E_RNA)
where:
Base-Base interactions energy: -1159.221
where: short stacking energy: -490.777
Base-Backbone interact. energy: -1.227
local terms energy: -510.896912
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -97.775
flat angles P-C4'-P energy: -76.905
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1611.645458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.645458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.645458 (E_RNA)
where:
Base-Base interactions energy: -1135.562
where: short stacking energy: -479.588
Base-Backbone interact. energy: -3.479
local terms energy: -472.604459
where:
bonds (distance) C4'-P energy: -67.514
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -98.802
flat angles P-C4'-P energy: -68.721
tors. eta vs tors. theta energy: -142.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1584.459417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.459417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.459417 (E_RNA)
where:
Base-Base interactions energy: -1122.507
where: short stacking energy: -443.977
Base-Backbone interact. energy: 0.617
local terms energy: -462.569227
where:
bonds (distance) C4'-P energy: -93.356
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -110.534
flat angles P-C4'-P energy: -56.875
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: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1502.876611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.876611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.876611 (E_RNA)
where:
Base-Base interactions energy: -1057.859
where: short stacking energy: -424.410
Base-Backbone interact. energy: 0.224
local terms energy: -445.242248
where:
bonds (distance) C4'-P energy: -86.558
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -89.235
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: -117.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1346.976600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.976600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.976600 (E_RNA)
where:
Base-Base interactions energy: -954.712
where: short stacking energy: -395.121
Base-Backbone interact. energy: -2.157
local terms energy: -390.107748
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -72.117
flat angles C4'-P-C4' energy: -90.923
flat angles P-C4'-P energy: -46.876
tors. eta vs tors. theta energy: -107.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -914.147676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.147676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.147676 (E_RNA)
where:
Base-Base interactions energy: -581.096
where: short stacking energy: -268.842
Base-Backbone interact. energy: -2.230
local terms energy: -330.821785
where:
bonds (distance) C4'-P energy: -72.479
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -78.816
flat angles P-C4'-P energy: -54.277
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -957.850254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.850254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.850254 (E_RNA)
where:
Base-Base interactions energy: -608.899
where: short stacking energy: -262.838
Base-Backbone interact. energy: -0.068
local terms energy: -348.883660
where:
bonds (distance) C4'-P energy: -75.126
bonds (distance) P-C4' energy: -85.413
flat angles C4'-P-C4' energy: -78.315
flat angles P-C4'-P energy: -50.258
tors. eta vs tors. theta energy: -59.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1839.243155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.243155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.243155 (E_RNA)
where:
Base-Base interactions energy: -1293.091
where: short stacking energy: -511.710
Base-Backbone interact. energy: -1.056
local terms energy: -545.095959
where:
bonds (distance) C4'-P energy: -100.069
bonds (distance) P-C4' energy: -108.825
flat angles C4'-P-C4' energy: -114.654
flat angles P-C4'-P energy: -74.566
tors. eta vs tors. theta energy: -146.982
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1772.971692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.971692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.971692 (E_RNA)
where:
Base-Base interactions energy: -1271.538
where: short stacking energy: -508.599
Base-Backbone interact. energy: -1.996
local terms energy: -499.437682
where:
bonds (distance) C4'-P energy: -86.732
bonds (distance) P-C4' energy: -96.535
flat angles C4'-P-C4' energy: -109.224
flat angles P-C4'-P energy: -68.346
tors. eta vs tors. theta energy: -138.600
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: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1686.901803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.901803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.901803 (E_RNA)
where:
Base-Base interactions energy: -1181.828
where: short stacking energy: -495.866
Base-Backbone interact. energy: -1.180
local terms energy: -503.893531
where:
bonds (distance) C4'-P energy: -89.463
bonds (distance) P-C4' energy: -96.284
flat angles C4'-P-C4' energy: -111.988
flat angles P-C4'-P energy: -73.924
tors. eta vs tors. theta energy: -132.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1662.062798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.062798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.062798 (E_RNA)
where:
Base-Base interactions energy: -1137.873
where: short stacking energy: -487.332
Base-Backbone interact. energy: -1.100
local terms energy: -523.090223
where:
bonds (distance) C4'-P energy: -97.802
bonds (distance) P-C4' energy: -99.480
flat angles C4'-P-C4' energy: -105.905
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -143.151
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1583.700985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.700985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.700985 (E_RNA)
where:
Base-Base interactions energy: -1111.881
where: short stacking energy: -462.181
Base-Backbone interact. energy: 0.422
local terms energy: -472.241655
where:
bonds (distance) C4'-P energy: -80.466
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -99.020
flat angles P-C4'-P energy: -77.782
tors. eta vs tors. theta energy: -123.496
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: 196
Temperature: 1.150000
Total energy: -1503.330222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.330222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.330222 (E_RNA)
where:
Base-Base interactions energy: -1066.617
where: short stacking energy: -441.903
Base-Backbone interact. energy: -1.538
local terms energy: -435.175478
where:
bonds (distance) C4'-P energy: -74.789
bonds (distance) P-C4' energy: -76.105
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -62.209
tors. eta vs tors. theta energy: -128.603
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: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1501.350427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.350427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.350427 (E_RNA)
where:
Base-Base interactions energy: -1044.821
where: short stacking energy: -437.065
Base-Backbone interact. energy: -1.204
local terms energy: -455.324852
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -91.207
flat angles C4'-P-C4' energy: -99.461
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -125.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1383.963354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.963354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.963354 (E_RNA)
where:
Base-Base interactions energy: -939.069
where: short stacking energy: -383.807
Base-Backbone interact. energy: -0.753
local terms energy: -444.141178
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -97.824
flat angles C4'-P-C4' energy: -94.946
flat angles P-C4'-P energy: -61.621
tors. eta vs tors. theta energy: -107.074
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: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -923.861807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.861807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.861807 (E_RNA)
where:
Base-Base interactions energy: -561.095
where: short stacking energy: -256.037
Base-Backbone interact. energy: 1.084
local terms energy: -363.850475
where:
bonds (distance) C4'-P energy: -72.609
bonds (distance) P-C4' energy: -90.520
flat angles C4'-P-C4' energy: -71.850
flat angles P-C4'-P energy: -74.031
tors. eta vs tors. theta energy: -54.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -839.738527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.738527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.738527 (E_RNA)
where:
Base-Base interactions energy: -517.561
where: short stacking energy: -233.780
Base-Backbone interact. energy: -2.138
local terms energy: -320.039452
where:
bonds (distance) C4'-P energy: -92.793
bonds (distance) P-C4' energy: -69.691
flat angles C4'-P-C4' energy: -70.829
flat angles P-C4'-P energy: -56.056
tors. eta vs tors. theta energy: -30.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1857.237733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.237733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.237733 (E_RNA)
where:
Base-Base interactions energy: -1319.875
where: short stacking energy: -533.342
Base-Backbone interact. energy: -1.353
local terms energy: -536.009282
where:
bonds (distance) C4'-P energy: -84.255
bonds (distance) P-C4' energy: -101.738
flat angles C4'-P-C4' energy: -116.763
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -152.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1795.055027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.055027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.055027 (E_RNA)
where:
Base-Base interactions energy: -1268.971
where: short stacking energy: -537.105
Base-Backbone interact. energy: -3.804
local terms energy: -522.280477
where:
bonds (distance) C4'-P energy: -90.890
bonds (distance) P-C4' energy: -100.289
flat angles C4'-P-C4' energy: -112.282
flat angles P-C4'-P energy: -74.331
tors. eta vs tors. theta energy: -144.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1703.303647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.303647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.303647 (E_RNA)
where:
Base-Base interactions energy: -1186.326
where: short stacking energy: -490.795
Base-Backbone interact. energy: -5.559
local terms energy: -511.418359
where:
bonds (distance) C4'-P energy: -92.647
bonds (distance) P-C4' energy: -95.344
flat angles C4'-P-C4' energy: -105.142
flat angles P-C4'-P energy: -77.746
tors. eta vs tors. theta energy: -140.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1672.715534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.715534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.715534 (E_RNA)
where:
Base-Base interactions energy: -1183.654
where: short stacking energy: -480.127
Base-Backbone interact. energy: -2.765
local terms energy: -486.295958
where:
bonds (distance) C4'-P energy: -76.422
bonds (distance) P-C4' energy: -98.669
flat angles C4'-P-C4' energy: -102.770
flat angles P-C4'-P energy: -71.318
tors. eta vs tors. theta energy: -137.116
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1592.393882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.393882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.393882 (E_RNA)
where:
Base-Base interactions energy: -1126.203
where: short stacking energy: -457.534
Base-Backbone interact. energy: -2.563
local terms energy: -463.628046
where:
bonds (distance) C4'-P energy: -77.998
bonds (distance) P-C4' energy: -94.396
flat angles C4'-P-C4' energy: -97.408
flat angles P-C4'-P energy: -64.634
tors. eta vs tors. theta energy: -129.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1558.200827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.200827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.200827 (E_RNA)
where:
Base-Base interactions energy: -1078.601
where: short stacking energy: -451.014
Base-Backbone interact. energy: -3.108
local terms energy: -476.491028
where:
bonds (distance) C4'-P energy: -89.384
bonds (distance) P-C4' energy: -89.321
flat angles C4'-P-C4' energy: -97.329
flat angles P-C4'-P energy: -75.109
tors. eta vs tors. theta energy: -125.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1512.559676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.559676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.559676 (E_RNA)
where:
Base-Base interactions energy: -1061.233
where: short stacking energy: -439.090
Base-Backbone interact. energy: -0.639
local terms energy: -450.687230
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -88.428
flat angles C4'-P-C4' energy: -102.870
flat angles P-C4'-P energy: -55.581
tors. eta vs tors. theta energy: -114.441
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: 197
Temperature: 1.250000
Total energy: -1351.320116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.320116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.320116 (E_RNA)
where:
Base-Base interactions energy: -932.564
where: short stacking energy: -401.945
Base-Backbone interact. energy: -0.065
local terms energy: -418.691482
where:
bonds (distance) C4'-P energy: -76.882
bonds (distance) P-C4' energy: -89.534
flat angles C4'-P-C4' energy: -77.599
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -115.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -947.730041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.730041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.730041 (E_RNA)
where:
Base-Base interactions energy: -621.549
where: short stacking energy: -264.539
Base-Backbone interact. energy: 0.100
local terms energy: -326.280695
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -84.770
flat angles C4'-P-C4' energy: -82.452
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -42.955
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: 197
Temperature: 1.350000
Total energy: -895.294767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.294767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.294767 (E_RNA)
where:
Base-Base interactions energy: -571.208
where: short stacking energy: -266.533
Base-Backbone interact. energy: -1.096
local terms energy: -322.990614
where:
bonds (distance) C4'-P energy: -68.412
bonds (distance) P-C4' energy: -81.651
flat angles C4'-P-C4' energy: -72.118
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -46.766
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: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1869.554785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.554785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.554785 (E_RNA)
where:
Base-Base interactions energy: -1332.502
where: short stacking energy: -519.304
Base-Backbone interact. energy: -0.998
local terms energy: -536.054115
where:
bonds (distance) C4'-P energy: -83.309
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -152.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1806.523158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.523158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.523158 (E_RNA)
where:
Base-Base interactions energy: -1273.416
where: short stacking energy: -531.646
Base-Backbone interact. energy: 0.893
local terms energy: -533.999876
where:
bonds (distance) C4'-P energy: -98.717
bonds (distance) P-C4' energy: -96.954
flat angles C4'-P-C4' energy: -99.799
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -150.968
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1740.084780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.084780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.084780 (E_RNA)
where:
Base-Base interactions energy: -1236.564
where: short stacking energy: -500.153
Base-Backbone interact. energy: -1.799
local terms energy: -501.721841
where:
bonds (distance) C4'-P energy: -85.134
bonds (distance) P-C4' energy: -97.103
flat angles C4'-P-C4' energy: -98.331
flat angles P-C4'-P energy: -73.171
tors. eta vs tors. theta energy: -147.981
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1693.175997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.175997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.175997 (E_RNA)
where:
Base-Base interactions energy: -1204.594
where: short stacking energy: -511.111
Base-Backbone interact. energy: -1.563
local terms energy: -487.019890
where:
bonds (distance) C4'-P energy: -87.727
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -64.878
tors. eta vs tors. theta energy: -143.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1629.447025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.447025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.447025 (E_RNA)
where:
Base-Base interactions energy: -1128.578
where: short stacking energy: -508.332
Base-Backbone interact. energy: 0.587
local terms energy: -501.456108
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -86.937
flat angles C4'-P-C4' energy: -110.438
flat angles P-C4'-P energy: -63.598
tors. eta vs tors. theta energy: -143.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1577.198584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.198584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.198584 (E_RNA)
where:
Base-Base interactions energy: -1117.905
where: short stacking energy: -457.842
Base-Backbone interact. energy: 0.081
local terms energy: -459.375512
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -75.218
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -70.425
tors. eta vs tors. theta energy: -127.625
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: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1479.984705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.984705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.984705 (E_RNA)
where:
Base-Base interactions energy: -1039.087
where: short stacking energy: -455.609
Base-Backbone interact. energy: -1.667
local terms energy: -439.230175
where:
bonds (distance) C4'-P energy: -83.479
bonds (distance) P-C4' energy: -93.184
flat angles C4'-P-C4' energy: -83.658
flat angles P-C4'-P energy: -56.780
tors. eta vs tors. theta energy: -122.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1370.387250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.387250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.387250 (E_RNA)
where:
Base-Base interactions energy: -956.871
where: short stacking energy: -387.550
Base-Backbone interact. energy: -2.748
local terms energy: -410.768326
where:
bonds (distance) C4'-P energy: -75.815
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -90.454
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -98.938
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: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -958.274568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.274568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.274568 (E_RNA)
where:
Base-Base interactions energy: -636.873
where: short stacking energy: -295.522
Base-Backbone interact. energy: -0.950
local terms energy: -320.452464
where:
bonds (distance) C4'-P energy: -74.874
bonds (distance) P-C4' energy: -73.370
flat angles C4'-P-C4' energy: -81.702
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -52.696
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: 198
Temperature: 1.350000
Total energy: -883.388098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.388098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.388098 (E_RNA)
where:
Base-Base interactions energy: -543.836
where: short stacking energy: -240.118
Base-Backbone interact. energy: -0.861
local terms energy: -338.690855
where:
bonds (distance) C4'-P energy: -77.141
bonds (distance) P-C4' energy: -74.255
flat angles C4'-P-C4' energy: -85.617
flat angles P-C4'-P energy: -60.872
tors. eta vs tors. theta energy: -40.806
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1867.774984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.774984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.774984 (E_RNA)
where:
Base-Base interactions energy: -1324.789
where: short stacking energy: -534.039
Base-Backbone interact. energy: -0.414
local terms energy: -542.571923
where:
bonds (distance) C4'-P energy: -94.497
bonds (distance) P-C4' energy: -101.507
flat angles C4'-P-C4' energy: -116.653
flat angles P-C4'-P energy: -83.575
tors. eta vs tors. theta energy: -146.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1803.500994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.500994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.500994 (E_RNA)
where:
Base-Base interactions energy: -1275.340
where: short stacking energy: -510.737
Base-Backbone interact. energy: -0.045
local terms energy: -528.115832
where:
bonds (distance) C4'-P energy: -97.729
bonds (distance) P-C4' energy: -97.237
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -71.672
tors. eta vs tors. theta energy: -147.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1714.838248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.838248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.838248 (E_RNA)
where:
Base-Base interactions energy: -1214.403
where: short stacking energy: -520.530
Base-Backbone interact. energy: -0.985
local terms energy: -499.450358
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -79.503
flat angles C4'-P-C4' energy: -112.462
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -146.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1710.542924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.542924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.542924 (E_RNA)
where:
Base-Base interactions energy: -1199.121
where: short stacking energy: -496.270
Base-Backbone interact. energy: -2.437
local terms energy: -508.984581
where:
bonds (distance) C4'-P energy: -86.239
bonds (distance) P-C4' energy: -98.919
flat angles C4'-P-C4' energy: -110.092
flat angles P-C4'-P energy: -69.275
tors. eta vs tors. theta energy: -144.459
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: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1603.942490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.942490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.942490 (E_RNA)
where:
Base-Base interactions energy: -1115.246
where: short stacking energy: -486.621
Base-Backbone interact. energy: -1.162
local terms energy: -487.534347
where:
bonds (distance) C4'-P energy: -74.222
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -106.380
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -139.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1588.050648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.050648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.050648 (E_RNA)
where:
Base-Base interactions energy: -1090.635
where: short stacking energy: -432.932
Base-Backbone interact. energy: -2.875
local terms energy: -494.540297
where:
bonds (distance) C4'-P energy: -95.867
bonds (distance) P-C4' energy: -93.587
flat angles C4'-P-C4' energy: -97.991
flat angles P-C4'-P energy: -76.094
tors. eta vs tors. theta energy: -131.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1494.217144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.217144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.217144 (E_RNA)
where:
Base-Base interactions energy: -1067.171
where: short stacking energy: -435.243
Base-Backbone interact. energy: 5.108
local terms energy: -432.153633
where:
bonds (distance) C4'-P energy: -63.726
bonds (distance) P-C4' energy: -86.724
flat angles C4'-P-C4' energy: -94.872
flat angles P-C4'-P energy: -73.337
tors. eta vs tors. theta energy: -113.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1356.982374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.982374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.982374 (E_RNA)
where:
Base-Base interactions energy: -944.354
where: short stacking energy: -381.044
Base-Backbone interact. energy: 0.329
local terms energy: -412.958043
where:
bonds (distance) C4'-P energy: -81.320
bonds (distance) P-C4' energy: -86.312
flat angles C4'-P-C4' energy: -98.379
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -96.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -962.141967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.141967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.141967 (E_RNA)
where:
Base-Base interactions energy: -658.262
where: short stacking energy: -264.551
Base-Backbone interact. energy: -0.150
local terms energy: -303.730113
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -68.491
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -59.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -839.320812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.320812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.320812 (E_RNA)
where:
Base-Base interactions energy: -538.569
where: short stacking energy: -251.841
Base-Backbone interact. energy: -1.210
local terms energy: -299.541836
where:
bonds (distance) C4'-P energy: -65.629
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -49.372
tors. eta vs tors. theta energy: -43.637
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: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1889.106185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.106185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.106185 (E_RNA)
where:
Base-Base interactions energy: -1351.105
where: short stacking energy: -535.985
Base-Backbone interact. energy: -1.511
local terms energy: -536.489756
where:
bonds (distance) C4'-P energy: -99.466
bonds (distance) P-C4' energy: -95.451
flat angles C4'-P-C4' energy: -112.285
flat angles P-C4'-P energy: -78.623
tors. eta vs tors. theta energy: -150.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1813.909965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.909965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.909965 (E_RNA)
where:
Base-Base interactions energy: -1267.556
where: short stacking energy: -537.798
Base-Backbone interact. energy: -1.780
local terms energy: -544.573436
where:
bonds (distance) C4'-P energy: -87.594
bonds (distance) P-C4' energy: -108.085
flat angles C4'-P-C4' energy: -118.148
flat angles P-C4'-P energy: -80.338
tors. eta vs tors. theta energy: -150.408
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1718.705436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.705436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.705436 (E_RNA)
where:
Base-Base interactions energy: -1216.962
where: short stacking energy: -507.574
Base-Backbone interact. energy: -0.072
local terms energy: -501.670791
where:
bonds (distance) C4'-P energy: -87.763
bonds (distance) P-C4' energy: -84.289
flat angles C4'-P-C4' energy: -105.040
flat angles P-C4'-P energy: -71.831
tors. eta vs tors. theta energy: -152.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1653.939957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.939957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.939957 (E_RNA)
where:
Base-Base interactions energy: -1171.251
where: short stacking energy: -506.218
Base-Backbone interact. energy: 0.373
local terms energy: -483.062236
where:
bonds (distance) C4'-P energy: -86.934
bonds (distance) P-C4' energy: -82.138
flat angles C4'-P-C4' energy: -92.318
flat angles P-C4'-P energy: -72.050
tors. eta vs tors. theta energy: -149.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1604.396335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.396335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.396335 (E_RNA)
where:
Base-Base interactions energy: -1117.549
where: short stacking energy: -461.397
Base-Backbone interact. energy: 1.881
local terms energy: -488.728461
where:
bonds (distance) C4'-P energy: -83.444
bonds (distance) P-C4' energy: -95.221
flat angles C4'-P-C4' energy: -113.064
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -133.827
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: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1613.348683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.348683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.348683 (E_RNA)
where:
Base-Base interactions energy: -1142.119
where: short stacking energy: -468.046
Base-Backbone interact. energy: -1.224
local terms energy: -470.005835
where:
bonds (distance) C4'-P energy: -88.417
bonds (distance) P-C4' energy: -87.448
flat angles C4'-P-C4' energy: -97.858
flat angles P-C4'-P energy: -65.345
tors. eta vs tors. theta energy: -130.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1463.329868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.329868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.329868 (E_RNA)
where:
Base-Base interactions energy: -1012.549
where: short stacking energy: -428.851
Base-Backbone interact. energy: -1.961
local terms energy: -448.819504
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -93.000
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -58.829
tors. eta vs tors. theta energy: -120.266
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: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1341.547932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.547932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.547932 (E_RNA)
where:
Base-Base interactions energy: -945.147
where: short stacking energy: -376.850
Base-Backbone interact. energy: 1.727
local terms energy: -398.128211
where:
bonds (distance) C4'-P energy: -85.749
bonds (distance) P-C4' energy: -87.095
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -55.979
tors. eta vs tors. theta energy: -88.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -929.566846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.566846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.566846 (E_RNA)
where:
Base-Base interactions energy: -583.649
where: short stacking energy: -244.903
Base-Backbone interact. energy: 1.035
local terms energy: -346.952812
where:
bonds (distance) C4'-P energy: -75.715
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -87.084
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -56.977
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: 200
Temperature: 1.350000
Total energy: -895.275460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.275460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.275460 (E_RNA)
where:
Base-Base interactions energy: -584.786
where: short stacking energy: -273.494
Base-Backbone interact. energy: 5.088
local terms energy: -315.577522
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -87.511
flat angles C4'-P-C4' energy: -84.376
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -52.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1859.335005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.335005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.335005 (E_RNA)
where:
Base-Base interactions energy: -1324.531
where: short stacking energy: -547.534
Base-Backbone interact. energy: -2.811
local terms energy: -531.993306
where:
bonds (distance) C4'-P energy: -99.397
bonds (distance) P-C4' energy: -92.086
flat angles C4'-P-C4' energy: -110.434
flat angles P-C4'-P energy: -80.547
tors. eta vs tors. theta energy: -149.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1814.597163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.597163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.597163 (E_RNA)
where:
Base-Base interactions energy: -1295.290
where: short stacking energy: -522.522
Base-Backbone interact. energy: -2.886
local terms energy: -516.420956
where:
bonds (distance) C4'-P energy: -87.728
bonds (distance) P-C4' energy: -83.515
flat angles C4'-P-C4' energy: -117.802
flat angles P-C4'-P energy: -81.035
tors. eta vs tors. theta energy: -146.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1707.777761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.777761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.777761 (E_RNA)
where:
Base-Base interactions energy: -1196.803
where: short stacking energy: -505.536
Base-Backbone interact. energy: -0.227
local terms energy: -510.747830
where:
bonds (distance) C4'-P energy: -88.252
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -100.651
flat angles P-C4'-P energy: -74.994
tors. eta vs tors. theta energy: -149.264
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: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1652.959540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.959540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.959540 (E_RNA)
where:
Base-Base interactions energy: -1148.090
where: short stacking energy: -477.854
Base-Backbone interact. energy: -0.432
local terms energy: -504.437569
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -96.369
flat angles C4'-P-C4' energy: -105.892
flat angles P-C4'-P energy: -72.178
tors. eta vs tors. theta energy: -140.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1582.411024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.411024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.411024 (E_RNA)
where:
Base-Base interactions energy: -1092.115
where: short stacking energy: -471.232
Base-Backbone interact. energy: -2.686
local terms energy: -487.609932
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -103.853
flat angles C4'-P-C4' energy: -104.418
flat angles P-C4'-P energy: -58.696
tors. eta vs tors. theta energy: -132.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1588.613459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.613459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.613459 (E_RNA)
where:
Base-Base interactions energy: -1106.082
where: short stacking energy: -461.762
Base-Backbone interact. energy: -0.834
local terms energy: -481.696956
where:
bonds (distance) C4'-P energy: -70.825
bonds (distance) P-C4' energy: -103.918
flat angles C4'-P-C4' energy: -103.725
flat angles P-C4'-P energy: -71.495
tors. eta vs tors. theta energy: -131.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1453.028495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.028495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.028495 (E_RNA)
where:
Base-Base interactions energy: -1012.451
where: short stacking energy: -408.560
Base-Backbone interact. energy: -2.618
local terms energy: -437.959489
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -74.770
flat angles C4'-P-C4' energy: -103.415
flat angles P-C4'-P energy: -61.742
tors. eta vs tors. theta energy: -107.729
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1390.384427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.384427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.384427 (E_RNA)
where:
Base-Base interactions energy: -970.625
where: short stacking energy: -404.647
Base-Backbone interact. energy: -1.103
local terms energy: -418.656023
where:
bonds (distance) C4'-P energy: -78.204
bonds (distance) P-C4' energy: -74.180
flat angles C4'-P-C4' energy: -95.033
flat angles P-C4'-P energy: -67.960
tors. eta vs tors. theta energy: -103.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1018.319906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.319906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.319906 (E_RNA)
where:
Base-Base interactions energy: -658.045
where: short stacking energy: -290.048
Base-Backbone interact. energy: 1.148
local terms energy: -361.423016
where:
bonds (distance) C4'-P energy: -70.522
bonds (distance) P-C4' energy: -83.169
flat angles C4'-P-C4' energy: -90.450
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -66.355
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -918.714200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.714200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.714200 (E_RNA)
where:
Base-Base interactions energy: -562.767
where: short stacking energy: -260.866
Base-Backbone interact. energy: -3.051
local terms energy: -352.896095
where:
bonds (distance) C4'-P energy: -83.570
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -46.866
tors. eta vs tors. theta energy: -58.060
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: 202
Temperature: 0.900000
Total energy: -1858.790370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.790370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.790370 (E_RNA)
where:
Base-Base interactions energy: -1322.322
where: short stacking energy: -542.589
Base-Backbone interact. energy: -2.797
local terms energy: -533.671249
where:
bonds (distance) C4'-P energy: -100.409
bonds (distance) P-C4' energy: -103.078
flat angles C4'-P-C4' energy: -106.757
flat angles P-C4'-P energy: -75.178
tors. eta vs tors. theta energy: -148.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1791.536679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.536679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.536679 (E_RNA)
where:
Base-Base interactions energy: -1283.575
where: short stacking energy: -528.006
Base-Backbone interact. energy: -1.511
local terms energy: -506.451070
where:
bonds (distance) C4'-P energy: -99.769
bonds (distance) P-C4' energy: -86.698
flat angles C4'-P-C4' energy: -103.078
flat angles P-C4'-P energy: -71.787
tors. eta vs tors. theta energy: -145.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1718.315761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.315761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.315761 (E_RNA)
where:
Base-Base interactions energy: -1220.151
where: short stacking energy: -514.742
Base-Backbone interact. energy: -2.805
local terms energy: -495.360598
where:
bonds (distance) C4'-P energy: -80.208
bonds (distance) P-C4' energy: -91.600
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -74.063
tors. eta vs tors. theta energy: -141.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1646.541495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.541495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.541495 (E_RNA)
where:
Base-Base interactions energy: -1157.390
where: short stacking energy: -499.142
Base-Backbone interact. energy: -0.301
local terms energy: -488.850483
where:
bonds (distance) C4'-P energy: -86.088
bonds (distance) P-C4' energy: -90.740
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -60.754
tors. eta vs tors. theta energy: -146.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1573.320404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.320404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.320404 (E_RNA)
where:
Base-Base interactions energy: -1106.090
where: short stacking energy: -459.013
Base-Backbone interact. energy: -1.379
local terms energy: -465.851497
where:
bonds (distance) C4'-P energy: -85.557
bonds (distance) P-C4' energy: -84.829
flat angles C4'-P-C4' energy: -104.060
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -115.674
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: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1565.548713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.548713 (E_RNA)
where:
Base-Base interactions energy: -1102.013
where: short stacking energy: -447.147
Base-Backbone interact. energy: 2.194
local terms energy: -465.730243
where:
bonds (distance) C4'-P energy: -73.869
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -107.315
flat angles P-C4'-P energy: -70.112
tors. eta vs tors. theta energy: -128.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1484.278485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.278485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.278485 (E_RNA)
where:
Base-Base interactions energy: -1032.810
where: short stacking energy: -436.984
Base-Backbone interact. energy: 0.828
local terms energy: -452.296846
where:
bonds (distance) C4'-P energy: -89.568
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -86.852
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -119.531
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1315.078088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.078088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.078088 (E_RNA)
where:
Base-Base interactions energy: -896.295
where: short stacking energy: -364.217
Base-Backbone interact. energy: -1.286
local terms energy: -417.497883
where:
bonds (distance) C4'-P energy: -82.917
bonds (distance) P-C4' energy: -94.430
flat angles C4'-P-C4' energy: -83.212
flat angles P-C4'-P energy: -65.431
tors. eta vs tors. theta energy: -91.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1068.217470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.217470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.217470 (E_RNA)
where:
Base-Base interactions energy: -707.877
where: short stacking energy: -307.170
Base-Backbone interact. energy: -0.149
local terms energy: -360.190798
where:
bonds (distance) C4'-P energy: -86.070
bonds (distance) P-C4' energy: -78.776
flat angles C4'-P-C4' energy: -81.917
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -68.103
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: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -896.115854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.115854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.115854 (E_RNA)
where:
Base-Base interactions energy: -575.091
where: short stacking energy: -274.097
Base-Backbone interact. energy: -1.809
local terms energy: -319.215901
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -67.488
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -50.009
tors. eta vs tors. theta energy: -54.569
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1854.180153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.180153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.180153 (E_RNA)
where:
Base-Base interactions energy: -1313.058
where: short stacking energy: -524.157
Base-Backbone interact. energy: -0.862
local terms energy: -540.260481
where:
bonds (distance) C4'-P energy: -92.830
bonds (distance) P-C4' energy: -94.920
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -83.535
tors. eta vs tors. theta energy: -149.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1807.909369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.909369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.909369 (E_RNA)
where:
Base-Base interactions energy: -1294.093
where: short stacking energy: -540.344
Base-Backbone interact. energy: -0.345
local terms energy: -513.471457
where:
bonds (distance) C4'-P energy: -81.417
bonds (distance) P-C4' energy: -87.448
flat angles C4'-P-C4' energy: -116.241
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -148.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1726.323117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.323117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.323117 (E_RNA)
where:
Base-Base interactions energy: -1226.315
where: short stacking energy: -507.858
Base-Backbone interact. energy: -0.818
local terms energy: -499.190681
where:
bonds (distance) C4'-P energy: -88.922
bonds (distance) P-C4' energy: -82.843
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -75.881
tors. eta vs tors. theta energy: -141.666
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: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1653.705746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.705746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.705746 (E_RNA)
where:
Base-Base interactions energy: -1175.262
where: short stacking energy: -496.030
Base-Backbone interact. energy: 1.450
local terms energy: -479.893029
where:
bonds (distance) C4'-P energy: -92.073
bonds (distance) P-C4' energy: -70.558
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -145.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1624.707480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.707480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.707480 (E_RNA)
where:
Base-Base interactions energy: -1150.448
where: short stacking energy: -490.993
Base-Backbone interact. energy: -0.948
local terms energy: -473.310905
where:
bonds (distance) C4'-P energy: -81.886
bonds (distance) P-C4' energy: -88.546
flat angles C4'-P-C4' energy: -96.379
flat angles P-C4'-P energy: -69.294
tors. eta vs tors. theta energy: -137.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1594.885269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.885269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.885269 (E_RNA)
where:
Base-Base interactions energy: -1138.187
where: short stacking energy: -463.336
Base-Backbone interact. energy: -1.203
local terms energy: -455.494722
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -92.477
flat angles P-C4'-P energy: -52.237
tors. eta vs tors. theta energy: -138.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1490.807112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.807112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.807112 (E_RNA)
where:
Base-Base interactions energy: -1075.389
where: short stacking energy: -425.534
Base-Backbone interact. energy: 0.790
local terms energy: -416.208225
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -89.775
flat angles P-C4'-P energy: -67.053
tors. eta vs tors. theta energy: -107.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1310.747437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.747437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.747437 (E_RNA)
where:
Base-Base interactions energy: -889.402
where: short stacking energy: -361.538
Base-Backbone interact. energy: -2.570
local terms energy: -418.775457
where:
bonds (distance) C4'-P energy: -89.610
bonds (distance) P-C4' energy: -82.319
flat angles C4'-P-C4' energy: -85.601
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -91.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1045.719630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.719630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.719630 (E_RNA)
where:
Base-Base interactions energy: -683.107
where: short stacking energy: -281.283
Base-Backbone interact. energy: -6.218
local terms energy: -356.394189
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -78.703
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -72.128
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: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -857.467107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.467107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.467107 (E_RNA)
where:
Base-Base interactions energy: -552.313
where: short stacking energy: -235.858
Base-Backbone interact. energy: -1.832
local terms energy: -303.321668
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -71.899
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -35.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1840.917447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.917447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.917447 (E_RNA)
where:
Base-Base interactions energy: -1308.169
where: short stacking energy: -550.107
Base-Backbone interact. energy: -1.946
local terms energy: -530.802330
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -99.634
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -72.915
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: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1803.304894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.304894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.304894 (E_RNA)
where:
Base-Base interactions energy: -1287.440
where: short stacking energy: -520.389
Base-Backbone interact. energy: -2.870
local terms energy: -512.994763
where:
bonds (distance) C4'-P energy: -89.761
bonds (distance) P-C4' energy: -95.321
flat angles C4'-P-C4' energy: -101.423
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -144.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1703.719960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.719960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.719960 (E_RNA)
where:
Base-Base interactions energy: -1205.245
where: short stacking energy: -507.057
Base-Backbone interact. energy: -0.526
local terms energy: -497.948600
where:
bonds (distance) C4'-P energy: -95.886
bonds (distance) P-C4' energy: -81.508
flat angles C4'-P-C4' energy: -107.744
flat angles P-C4'-P energy: -76.077
tors. eta vs tors. theta energy: -136.734
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: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1670.512463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.512463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.512463 (E_RNA)
where:
Base-Base interactions energy: -1158.716
where: short stacking energy: -508.259
Base-Backbone interact. energy: -1.096
local terms energy: -510.699581
where:
bonds (distance) C4'-P energy: -108.790
bonds (distance) P-C4' energy: -82.119
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -70.620
tors. eta vs tors. theta energy: -143.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1608.561771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.561771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.561771 (E_RNA)
where:
Base-Base interactions energy: -1123.846
where: short stacking energy: -466.312
Base-Backbone interact. energy: -0.812
local terms energy: -483.903473
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -99.622
flat angles C4'-P-C4' energy: -110.654
flat angles P-C4'-P energy: -66.850
tors. eta vs tors. theta energy: -130.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1540.385916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.385916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.385916 (E_RNA)
where:
Base-Base interactions energy: -1096.784
where: short stacking energy: -457.795
Base-Backbone interact. energy: -3.525
local terms energy: -440.076526
where:
bonds (distance) C4'-P energy: -72.496
bonds (distance) P-C4' energy: -91.239
flat angles C4'-P-C4' energy: -97.130
flat angles P-C4'-P energy: -61.973
tors. eta vs tors. theta energy: -117.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1510.029280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.029280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.029280 (E_RNA)
where:
Base-Base interactions energy: -1060.549
where: short stacking energy: -439.443
Base-Backbone interact. energy: -1.176
local terms energy: -448.304727
where:
bonds (distance) C4'-P energy: -74.697
bonds (distance) P-C4' energy: -91.903
flat angles C4'-P-C4' energy: -100.487
flat angles P-C4'-P energy: -67.105
tors. eta vs tors. theta energy: -114.113
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: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1355.525169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.525169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.525169 (E_RNA)
where:
Base-Base interactions energy: -921.799
where: short stacking energy: -377.370
Base-Backbone interact. energy: -1.684
local terms energy: -432.041796
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -84.766
flat angles C4'-P-C4' energy: -99.439
flat angles P-C4'-P energy: -63.699
tors. eta vs tors. theta energy: -106.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -930.253958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.253958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.253958 (E_RNA)
where:
Base-Base interactions energy: -615.553
where: short stacking energy: -263.998
Base-Backbone interact. energy: -0.509
local terms energy: -314.191947
where:
bonds (distance) C4'-P energy: -84.277
bonds (distance) P-C4' energy: -83.029
flat angles C4'-P-C4' energy: -72.358
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -35.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -847.175407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.175407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.175407 (E_RNA)
where:
Base-Base interactions energy: -514.464
where: short stacking energy: -234.362
Base-Backbone interact. energy: -1.650
local terms energy: -331.061617
where:
bonds (distance) C4'-P energy: -72.609
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -46.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1852.669214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.669214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.669214 (E_RNA)
where:
Base-Base interactions energy: -1316.793
where: short stacking energy: -553.483
Base-Backbone interact. energy: -2.057
local terms energy: -533.819487
where:
bonds (distance) C4'-P energy: -94.549
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -111.842
flat angles P-C4'-P energy: -75.389
tors. eta vs tors. theta energy: -158.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1789.390765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.390765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.390765 (E_RNA)
where:
Base-Base interactions energy: -1246.593
where: short stacking energy: -518.635
Base-Backbone interact. energy: -0.114
local terms energy: -542.683820
where:
bonds (distance) C4'-P energy: -91.258
bonds (distance) P-C4' energy: -90.096
flat angles C4'-P-C4' energy: -118.954
flat angles P-C4'-P energy: -87.729
tors. eta vs tors. theta energy: -154.647
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1713.539251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.539251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.539251 (E_RNA)
where:
Base-Base interactions energy: -1192.276
where: short stacking energy: -490.965
Base-Backbone interact. energy: -3.717
local terms energy: -517.546338
where:
bonds (distance) C4'-P energy: -96.208
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -115.043
flat angles P-C4'-P energy: -72.153
tors. eta vs tors. theta energy: -140.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1674.729244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.729244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.729244 (E_RNA)
where:
Base-Base interactions energy: -1161.095
where: short stacking energy: -487.247
Base-Backbone interact. energy: -2.262
local terms energy: -511.372859
where:
bonds (distance) C4'-P energy: -89.889
bonds (distance) P-C4' energy: -89.307
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -71.605
tors. eta vs tors. theta energy: -150.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1613.521702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.521702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.521702 (E_RNA)
where:
Base-Base interactions energy: -1124.279
where: short stacking energy: -482.093
Base-Backbone interact. energy: -1.514
local terms energy: -487.728473
where:
bonds (distance) C4'-P energy: -84.206
bonds (distance) P-C4' energy: -103.538
flat angles C4'-P-C4' energy: -99.702
flat angles P-C4'-P energy: -70.929
tors. eta vs tors. theta energy: -129.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1598.121964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.121964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.121964 (E_RNA)
where:
Base-Base interactions energy: -1129.265
where: short stacking energy: -463.558
Base-Backbone interact. energy: -0.958
local terms energy: -467.898561
where:
bonds (distance) C4'-P energy: -81.010
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -100.934
flat angles P-C4'-P energy: -58.144
tors. eta vs tors. theta energy: -137.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1454.603446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.603446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.603446 (E_RNA)
where:
Base-Base interactions energy: -1019.370
where: short stacking energy: -402.789
Base-Backbone interact. energy: -1.632
local terms energy: -433.601402
where:
bonds (distance) C4'-P energy: -72.927
bonds (distance) P-C4' energy: -82.975
flat angles C4'-P-C4' energy: -108.966
flat angles P-C4'-P energy: -61.149
tors. eta vs tors. theta energy: -107.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1328.244543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.244543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.244543 (E_RNA)
where:
Base-Base interactions energy: -921.039
where: short stacking energy: -374.883
Base-Backbone interact. energy: 0.304
local terms energy: -407.509630
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -80.824
flat angles C4'-P-C4' energy: -91.278
flat angles P-C4'-P energy: -58.697
tors. eta vs tors. theta energy: -91.363
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: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -920.441951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.441951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.441951 (E_RNA)
where:
Base-Base interactions energy: -588.195
where: short stacking energy: -254.177
Base-Backbone interact. energy: 2.407
local terms energy: -334.653245
where:
bonds (distance) C4'-P energy: -80.719
bonds (distance) P-C4' energy: -73.064
flat angles C4'-P-C4' energy: -87.237
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -40.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -826.823460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.823460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.823460 (E_RNA)
where:
Base-Base interactions energy: -538.129
where: short stacking energy: -236.642
Base-Backbone interact. energy: -0.442
local terms energy: -288.252315
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -65.084
flat angles P-C4'-P energy: -58.054
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1830.015803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.015803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.015803 (E_RNA)
where:
Base-Base interactions energy: -1282.621
where: short stacking energy: -518.304
Base-Backbone interact. energy: -2.883
local terms energy: -544.512401
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -119.093
flat angles P-C4'-P energy: -75.370
tors. eta vs tors. theta energy: -154.089
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: 206
Temperature: 0.950000
Total energy: -1781.544240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.544240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.544240 (E_RNA)
where:
Base-Base interactions energy: -1242.077
where: short stacking energy: -514.522
Base-Backbone interact. energy: -1.280
local terms energy: -538.187597
where:
bonds (distance) C4'-P energy: -99.939
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -115.206
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -147.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1706.974860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.974860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.974860 (E_RNA)
where:
Base-Base interactions energy: -1194.983
where: short stacking energy: -494.594
Base-Backbone interact. energy: 1.383
local terms energy: -513.374680
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -97.436
flat angles C4'-P-C4' energy: -103.168
flat angles P-C4'-P energy: -74.378
tors. eta vs tors. theta energy: -141.803
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1681.258069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.258069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.258069 (E_RNA)
where:
Base-Base interactions energy: -1177.483
where: short stacking energy: -499.065
Base-Backbone interact. energy: -0.756
local terms energy: -503.019095
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -95.943
flat angles C4'-P-C4' energy: -108.450
flat angles P-C4'-P energy: -74.795
tors. eta vs tors. theta energy: -144.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1605.729179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.729179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.729179 (E_RNA)
where:
Base-Base interactions energy: -1111.431
where: short stacking energy: -481.765
Base-Backbone interact. energy: -1.262
local terms energy: -493.036276
where:
bonds (distance) C4'-P energy: -89.220
bonds (distance) P-C4' energy: -88.058
flat angles C4'-P-C4' energy: -109.320
flat angles P-C4'-P energy: -62.745
tors. eta vs tors. theta energy: -143.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1561.588046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.588046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.588046 (E_RNA)
where:
Base-Base interactions energy: -1136.664
where: short stacking energy: -459.220
Base-Backbone interact. energy: -2.369
local terms energy: -422.554771
where:
bonds (distance) C4'-P energy: -63.333
bonds (distance) P-C4' energy: -84.187
flat angles C4'-P-C4' energy: -83.111
flat angles P-C4'-P energy: -63.038
tors. eta vs tors. theta energy: -128.886
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1480.983108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.983108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.983108 (E_RNA)
where:
Base-Base interactions energy: -1041.232
where: short stacking energy: -424.114
Base-Backbone interact. energy: -2.503
local terms energy: -437.248778
where:
bonds (distance) C4'-P energy: -82.963
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -81.904
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -116.174
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: 206
Temperature: 1.250000
Total energy: -1295.205891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.205891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.205891 (E_RNA)
where:
Base-Base interactions energy: -887.293
where: short stacking energy: -373.937
Base-Backbone interact. energy: 2.148
local terms energy: -410.060757
where:
bonds (distance) C4'-P energy: -77.370
bonds (distance) P-C4' energy: -82.442
flat angles C4'-P-C4' energy: -95.121
flat angles P-C4'-P energy: -65.181
tors. eta vs tors. theta energy: -89.947
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: 206
Temperature: 1.300000
Total energy: -890.583200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.583200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.583200 (E_RNA)
where:
Base-Base interactions energy: -591.506
where: short stacking energy: -242.388
Base-Backbone interact. energy: 1.780
local terms energy: -300.857242
where:
bonds (distance) C4'-P energy: -57.513
bonds (distance) P-C4' energy: -70.740
flat angles C4'-P-C4' energy: -86.399
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -38.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -868.771608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.771608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.771608 (E_RNA)
where:
Base-Base interactions energy: -547.415
where: short stacking energy: -243.223
Base-Backbone interact. energy: -2.277
local terms energy: -319.080222
where:
bonds (distance) C4'-P energy: -65.342
bonds (distance) P-C4' energy: -83.124
flat angles C4'-P-C4' energy: -88.537
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -41.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1839.218267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.218267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.218267 (E_RNA)
where:
Base-Base interactions energy: -1311.350
where: short stacking energy: -546.839
Base-Backbone interact. energy: -3.458
local terms energy: -524.410680
where:
bonds (distance) C4'-P energy: -96.485
bonds (distance) P-C4' energy: -97.874
flat angles C4'-P-C4' energy: -106.311
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -147.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1772.472101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.472101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.472101 (E_RNA)
where:
Base-Base interactions energy: -1251.466
where: short stacking energy: -528.673
Base-Backbone interact. energy: -0.816
local terms energy: -520.189859
where:
bonds (distance) C4'-P energy: -86.326
bonds (distance) P-C4' energy: -99.398
flat angles C4'-P-C4' energy: -106.759
flat angles P-C4'-P energy: -81.205
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: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1741.040140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.040140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.040140 (E_RNA)
where:
Base-Base interactions energy: -1228.386
where: short stacking energy: -528.904
Base-Backbone interact. energy: -2.797
local terms energy: -509.857312
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -103.439
flat angles P-C4'-P energy: -76.781
tors. eta vs tors. theta energy: -156.873
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1677.623930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.623930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.623930 (E_RNA)
where:
Base-Base interactions energy: -1188.992
where: short stacking energy: -494.814
Base-Backbone interact. energy: -0.776
local terms energy: -487.856022
where:
bonds (distance) C4'-P energy: -101.894
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -97.767
flat angles P-C4'-P energy: -60.450
tors. eta vs tors. theta energy: -138.987
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: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1577.036060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.036060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.036060 (E_RNA)
where:
Base-Base interactions energy: -1102.936
where: short stacking energy: -477.911
Base-Backbone interact. energy: -1.168
local terms energy: -472.932002
where:
bonds (distance) C4'-P energy: -88.220
bonds (distance) P-C4' energy: -72.796
flat angles C4'-P-C4' energy: -101.138
flat angles P-C4'-P energy: -65.139
tors. eta vs tors. theta energy: -145.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1550.788028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.788028 (E_RNA)
where:
Base-Base interactions energy: -1078.734
where: short stacking energy: -424.397
Base-Backbone interact. energy: -0.393
local terms energy: -471.660799
where:
bonds (distance) C4'-P energy: -102.832
bonds (distance) P-C4' energy: -88.680
flat angles C4'-P-C4' energy: -103.870
flat angles P-C4'-P energy: -59.125
tors. eta vs tors. theta energy: -117.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1482.835113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.835113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.835113 (E_RNA)
where:
Base-Base interactions energy: -1032.483
where: short stacking energy: -422.521
Base-Backbone interact. energy: 1.364
local terms energy: -451.715953
where:
bonds (distance) C4'-P energy: -90.246
bonds (distance) P-C4' energy: -88.844
flat angles C4'-P-C4' energy: -99.687
flat angles P-C4'-P energy: -60.354
tors. eta vs tors. theta energy: -112.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1260.711386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.711386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.711386 (E_RNA)
where:
Base-Base interactions energy: -866.548
where: short stacking energy: -360.033
Base-Backbone interact. energy: -2.531
local terms energy: -391.633253
where:
bonds (distance) C4'-P energy: -71.838
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -90.350
flat angles P-C4'-P energy: -50.680
tors. eta vs tors. theta energy: -90.213
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: 207
Temperature: 1.300000
Total energy: -898.850497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.850497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.850497 (E_RNA)
where:
Base-Base interactions energy: -587.923
where: short stacking energy: -272.312
Base-Backbone interact. energy: 1.204
local terms energy: -312.131794
where:
bonds (distance) C4'-P energy: -71.135
bonds (distance) P-C4' energy: -71.416
flat angles C4'-P-C4' energy: -73.304
flat angles P-C4'-P energy: -53.609
tors. eta vs tors. theta energy: -42.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -860.841859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.841859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.841859 (E_RNA)
where:
Base-Base interactions energy: -546.837
where: short stacking energy: -242.707
Base-Backbone interact. energy: -0.461
local terms energy: -313.543932
where:
bonds (distance) C4'-P energy: -80.653
bonds (distance) P-C4' energy: -93.476
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1851.117050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.117050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.117050 (E_RNA)
where:
Base-Base interactions energy: -1320.463
where: short stacking energy: -542.047
Base-Backbone interact. energy: -1.654
local terms energy: -528.999558
where:
bonds (distance) C4'-P energy: -98.897
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -110.226
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -146.745
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1783.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.097139 (E_RNA)
where:
Base-Base interactions energy: -1251.955
where: short stacking energy: -532.640
Base-Backbone interact. energy: -1.181
local terms energy: -529.961271
where:
bonds (distance) C4'-P energy: -100.177
bonds (distance) P-C4' energy: -82.268
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -80.448
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: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1727.931107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.931107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.931107 (E_RNA)
where:
Base-Base interactions energy: -1204.744
where: short stacking energy: -508.678
Base-Backbone interact. energy: -1.339
local terms energy: -521.848007
where:
bonds (distance) C4'-P energy: -94.958
bonds (distance) P-C4' energy: -93.545
flat angles C4'-P-C4' energy: -107.693
flat angles P-C4'-P energy: -76.868
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1679.486710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.486710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.486710 (E_RNA)
where:
Base-Base interactions energy: -1158.631
where: short stacking energy: -478.849
Base-Backbone interact. energy: -0.169
local terms energy: -520.686833
where:
bonds (distance) C4'-P energy: -92.735
bonds (distance) P-C4' energy: -101.875
flat angles C4'-P-C4' energy: -105.540
flat angles P-C4'-P energy: -80.109
tors. eta vs tors. theta energy: -140.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1594.251890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.251890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.251890 (E_RNA)
where:
Base-Base interactions energy: -1113.044
where: short stacking energy: -490.150
Base-Backbone interact. energy: 0.422
local terms energy: -481.629494
where:
bonds (distance) C4'-P energy: -82.973
bonds (distance) P-C4' energy: -84.965
flat angles C4'-P-C4' energy: -110.948
flat angles P-C4'-P energy: -70.095
tors. eta vs tors. theta energy: -132.649
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: 208
Temperature: 1.150000
Total energy: -1567.319648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.319648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.319648 (E_RNA)
where:
Base-Base interactions energy: -1117.862
where: short stacking energy: -455.377
Base-Backbone interact. energy: -0.050
local terms energy: -449.407733
where:
bonds (distance) C4'-P energy: -77.201
bonds (distance) P-C4' energy: -84.714
flat angles C4'-P-C4' energy: -93.834
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -123.220
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1469.414258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.414258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.414258 (E_RNA)
where:
Base-Base interactions energy: -1030.118
where: short stacking energy: -415.894
Base-Backbone interact. energy: 2.368
local terms energy: -441.663942
where:
bonds (distance) C4'-P energy: -69.761
bonds (distance) P-C4' energy: -78.220
flat angles C4'-P-C4' energy: -102.722
flat angles P-C4'-P energy: -69.796
tors. eta vs tors. theta energy: -121.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1278.673696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.673696 (E_RNA)
where:
Base-Base interactions energy: -873.901
where: short stacking energy: -376.023
Base-Backbone interact. energy: -1.163
local terms energy: -403.609768
where:
bonds (distance) C4'-P energy: -84.808
bonds (distance) P-C4' energy: -83.796
flat angles C4'-P-C4' energy: -79.411
flat angles P-C4'-P energy: -61.375
tors. eta vs tors. theta energy: -94.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -930.462442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.462442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.462442 (E_RNA)
where:
Base-Base interactions energy: -594.584
where: short stacking energy: -276.687
Base-Backbone interact. energy: 2.256
local terms energy: -338.134219
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -89.555
flat angles C4'-P-C4' energy: -76.757
flat angles P-C4'-P energy: -51.901
tors. eta vs tors. theta energy: -61.778
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: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -850.279301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.279301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.279301 (E_RNA)
where:
Base-Base interactions energy: -551.220
where: short stacking energy: -259.243
Base-Backbone interact. energy: 6.378
local terms energy: -305.437291
where:
bonds (distance) C4'-P energy: -65.300
bonds (distance) P-C4' energy: -89.466
flat angles C4'-P-C4' energy: -66.576
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -33.199
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1853.250522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.250522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.250522 (E_RNA)
where:
Base-Base interactions energy: -1317.752
where: short stacking energy: -532.654
Base-Backbone interact. energy: -1.032
local terms energy: -534.466855
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -95.748
flat angles C4'-P-C4' energy: -118.902
flat angles P-C4'-P energy: -76.580
tors. eta vs tors. theta energy: -151.210
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: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1813.869361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.869361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.869361 (E_RNA)
where:
Base-Base interactions energy: -1272.015
where: short stacking energy: -528.957
Base-Backbone interact. energy: -2.473
local terms energy: -539.381837
where:
bonds (distance) C4'-P energy: -96.089
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -118.602
flat angles P-C4'-P energy: -80.094
tors. eta vs tors. theta energy: -149.833
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1735.478924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.478924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.478924 (E_RNA)
where:
Base-Base interactions energy: -1218.352
where: short stacking energy: -538.188
Base-Backbone interact. energy: 0.133
local terms energy: -517.260191
where:
bonds (distance) C4'-P energy: -97.061
bonds (distance) P-C4' energy: -82.580
flat angles C4'-P-C4' energy: -106.610
flat angles P-C4'-P energy: -72.238
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1703.384183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.384183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.384183 (E_RNA)
where:
Base-Base interactions energy: -1202.257
where: short stacking energy: -490.357
Base-Backbone interact. energy: 0.120
local terms energy: -501.247126
where:
bonds (distance) C4'-P energy: -78.675
bonds (distance) P-C4' energy: -97.972
flat angles C4'-P-C4' energy: -103.482
flat angles P-C4'-P energy: -73.735
tors. eta vs tors. theta energy: -147.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1658.290847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.290847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.290847 (E_RNA)
where:
Base-Base interactions energy: -1173.410
where: short stacking energy: -489.678
Base-Backbone interact. energy: 2.142
local terms energy: -487.022238
where:
bonds (distance) C4'-P energy: -77.746
bonds (distance) P-C4' energy: -100.242
flat angles C4'-P-C4' energy: -103.186
flat angles P-C4'-P energy: -73.020
tors. eta vs tors. theta energy: -132.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1547.516061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.516061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.516061 (E_RNA)
where:
Base-Base interactions energy: -1088.114
where: short stacking energy: -442.500
Base-Backbone interact. energy: -0.690
local terms energy: -458.711908
where:
bonds (distance) C4'-P energy: -85.329
bonds (distance) P-C4' energy: -85.646
flat angles C4'-P-C4' energy: -106.400
flat angles P-C4'-P energy: -64.545
tors. eta vs tors. theta energy: -116.792
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1516.496806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.496806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.496806 (E_RNA)
where:
Base-Base interactions energy: -1066.079
where: short stacking energy: -464.785
Base-Backbone interact. energy: -0.817
local terms energy: -449.600879
where:
bonds (distance) C4'-P energy: -77.185
bonds (distance) P-C4' energy: -85.466
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -132.654
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: 209
Temperature: 1.250000
Total energy: -1251.356978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.356978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.356978 (E_RNA)
where:
Base-Base interactions energy: -849.374
where: short stacking energy: -355.654
Base-Backbone interact. energy: 5.567
local terms energy: -407.550120
where:
bonds (distance) C4'-P energy: -72.271
bonds (distance) P-C4' energy: -93.749
flat angles C4'-P-C4' energy: -80.256
flat angles P-C4'-P energy: -63.106
tors. eta vs tors. theta energy: -98.167
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: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -893.509892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.509892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.509892 (E_RNA)
where:
Base-Base interactions energy: -573.037
where: short stacking energy: -259.504
Base-Backbone interact. energy: 2.029
local terms energy: -322.501310
where:
bonds (distance) C4'-P energy: -67.139
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -70.116
flat angles P-C4'-P energy: -53.520
tors. eta vs tors. theta energy: -50.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -843.430365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.430365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.430365 (E_RNA)
where:
Base-Base interactions energy: -520.905
where: short stacking energy: -232.266
Base-Backbone interact. energy: -2.170
local terms energy: -320.354648
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -78.721
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -63.773
tors. eta vs tors. theta energy: -37.529
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1827.989246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.989246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.989246 (E_RNA)
where:
Base-Base interactions energy: -1290.633
where: short stacking energy: -520.440
Base-Backbone interact. energy: -2.268
local terms energy: -535.088822
where:
bonds (distance) C4'-P energy: -96.792
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -110.342
flat angles P-C4'-P energy: -73.397
tors. eta vs tors. theta energy: -152.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1806.861414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.861414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.861414 (E_RNA)
where:
Base-Base interactions energy: -1289.638
where: short stacking energy: -529.373
Base-Backbone interact. energy: -3.686
local terms energy: -513.537424
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -96.315
flat angles C4'-P-C4' energy: -108.885
flat angles P-C4'-P energy: -72.496
tors. eta vs tors. theta energy: -145.730
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: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1730.336764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.336764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.336764 (E_RNA)
where:
Base-Base interactions energy: -1213.181
where: short stacking energy: -487.688
Base-Backbone interact. energy: -3.017
local terms energy: -514.139134
where:
bonds (distance) C4'-P energy: -102.517
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -95.538
flat angles P-C4'-P energy: -69.742
tors. eta vs tors. theta energy: -140.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1714.019861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.019861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.019861 (E_RNA)
where:
Base-Base interactions energy: -1202.072
where: short stacking energy: -492.506
Base-Backbone interact. energy: -2.994
local terms energy: -508.953621
where:
bonds (distance) C4'-P energy: -94.989
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -106.819
flat angles P-C4'-P energy: -79.488
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: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1584.215355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.215355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.215355 (E_RNA)
where:
Base-Base interactions energy: -1098.938
where: short stacking energy: -445.657
Base-Backbone interact. energy: 0.593
local terms energy: -485.870727
where:
bonds (distance) C4'-P energy: -90.818
bonds (distance) P-C4' energy: -94.049
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -79.343
tors. eta vs tors. theta energy: -118.469
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: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1599.950731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.950731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.950731 (E_RNA)
where:
Base-Base interactions energy: -1104.878
where: short stacking energy: -467.668
Base-Backbone interact. energy: 0.309
local terms energy: -495.382097
where:
bonds (distance) C4'-P energy: -93.005
bonds (distance) P-C4' energy: -81.627
flat angles C4'-P-C4' energy: -111.741
flat angles P-C4'-P energy: -76.950
tors. eta vs tors. theta energy: -132.059
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: 210
Temperature: 1.200000
Total energy: -1498.978558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.978558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.978558 (E_RNA)
where:
Base-Base interactions energy: -1071.821
where: short stacking energy: -440.552
Base-Backbone interact. energy: -1.693
local terms energy: -425.464605
where:
bonds (distance) C4'-P energy: -73.801
bonds (distance) P-C4' energy: -89.393
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -123.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1227.766071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.766071 (E_RNA)
where:
Base-Base interactions energy: -811.517
where: short stacking energy: -335.588
Base-Backbone interact. energy: 0.997
local terms energy: -417.245167
where:
bonds (distance) C4'-P energy: -87.718
bonds (distance) P-C4' energy: -86.580
flat angles C4'-P-C4' energy: -82.198
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -108.838
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: 210
Temperature: 1.300000
Total energy: -993.126291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.126291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.126291 (E_RNA)
where:
Base-Base interactions energy: -619.414
where: short stacking energy: -271.679
Base-Backbone interact. energy: -0.230
local terms energy: -373.482215
where:
bonds (distance) C4'-P energy: -85.803
bonds (distance) P-C4' energy: -87.992
flat angles C4'-P-C4' energy: -82.339
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -70.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -775.295877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.295877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.295877 (E_RNA)
where:
Base-Base interactions energy: -443.343
where: short stacking energy: -226.961
Base-Backbone interact. energy: -2.361
local terms energy: -329.592235
where:
bonds (distance) C4'-P energy: -69.371
bonds (distance) P-C4' energy: -90.549
flat angles C4'-P-C4' energy: -80.742
flat angles P-C4'-P energy: -59.675
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1849.909291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.909291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.909291 (E_RNA)
where:
Base-Base interactions energy: -1312.771
where: short stacking energy: -519.378
Base-Backbone interact. energy: -2.611
local terms energy: -534.527701
where:
bonds (distance) C4'-P energy: -94.487
bonds (distance) P-C4' energy: -92.933
flat angles C4'-P-C4' energy: -108.858
flat angles P-C4'-P energy: -82.665
tors. eta vs tors. theta energy: -155.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1764.857907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.857907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.857907 (E_RNA)
where:
Base-Base interactions energy: -1244.038
where: short stacking energy: -505.980
Base-Backbone interact. energy: -3.623
local terms energy: -517.197205
where:
bonds (distance) C4'-P energy: -85.309
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -111.739
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -156.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1746.404955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.404955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.404955 (E_RNA)
where:
Base-Base interactions energy: -1221.120
where: short stacking energy: -518.144
Base-Backbone interact. energy: -3.221
local terms energy: -522.063386
where:
bonds (distance) C4'-P energy: -86.149
bonds (distance) P-C4' energy: -98.864
flat angles C4'-P-C4' energy: -114.105
flat angles P-C4'-P energy: -79.246
tors. eta vs tors. theta energy: -143.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1714.129060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.129060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.129060 (E_RNA)
where:
Base-Base interactions energy: -1202.996
where: short stacking energy: -526.355
Base-Backbone interact. energy: -1.428
local terms energy: -509.705053
where:
bonds (distance) C4'-P energy: -101.085
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -99.524
flat angles P-C4'-P energy: -72.358
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1620.995413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.995413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.995413 (E_RNA)
where:
Base-Base interactions energy: -1142.430
where: short stacking energy: -469.998
Base-Backbone interact. energy: -3.098
local terms energy: -475.467596
where:
bonds (distance) C4'-P energy: -94.014
bonds (distance) P-C4' energy: -79.074
flat angles C4'-P-C4' energy: -105.942
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: -129.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1534.684663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.684663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.684663 (E_RNA)
where:
Base-Base interactions energy: -1063.382
where: short stacking energy: -461.141
Base-Backbone interact. energy: -0.673
local terms energy: -470.629973
where:
bonds (distance) C4'-P energy: -88.220
bonds (distance) P-C4' energy: -100.381
flat angles C4'-P-C4' energy: -86.868
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: -135.317
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1509.199561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.199561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.199561 (E_RNA)
where:
Base-Base interactions energy: -1070.655
where: short stacking energy: -441.195
Base-Backbone interact. energy: -0.366
local terms energy: -438.178418
where:
bonds (distance) C4'-P energy: -75.131
bonds (distance) P-C4' energy: -82.476
flat angles C4'-P-C4' energy: -96.327
flat angles P-C4'-P energy: -62.185
tors. eta vs tors. theta energy: -122.060
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1189.181775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.181775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.181775 (E_RNA)
where:
Base-Base interactions energy: -812.337
where: short stacking energy: -359.112
Base-Backbone interact. energy: -1.112
local terms energy: -375.732242
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -85.419
flat angles C4'-P-C4' energy: -93.382
flat angles P-C4'-P energy: -47.001
tors. eta vs tors. theta energy: -87.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -976.928751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.928751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.928751 (E_RNA)
where:
Base-Base interactions energy: -640.458
where: short stacking energy: -281.012
Base-Backbone interact. energy: -0.622
local terms energy: -335.848775
where:
bonds (distance) C4'-P energy: -67.765
bonds (distance) P-C4' energy: -60.414
flat angles C4'-P-C4' energy: -83.144
flat angles P-C4'-P energy: -47.334
tors. eta vs tors. theta energy: -77.192
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: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -822.813501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.813501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.813501 (E_RNA)
where:
Base-Base interactions energy: -527.944
where: short stacking energy: -251.175
Base-Backbone interact. energy: -0.198
local terms energy: -294.671852
where:
bonds (distance) C4'-P energy: -64.644
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -72.048
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1843.160064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.160064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.160064 (E_RNA)
where:
Base-Base interactions energy: -1299.970
where: short stacking energy: -532.011
Base-Backbone interact. energy: 2.032
local terms energy: -545.222259
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -108.864
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -156.963
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: 212
Temperature: 0.950000
Total energy: -1759.878680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.878680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.878680 (E_RNA)
where:
Base-Base interactions energy: -1248.935
where: short stacking energy: -504.051
Base-Backbone interact. energy: -3.335
local terms energy: -507.608803
where:
bonds (distance) C4'-P energy: -94.115
bonds (distance) P-C4' energy: -92.487
flat angles C4'-P-C4' energy: -107.543
flat angles P-C4'-P energy: -70.629
tors. eta vs tors. theta energy: -142.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1746.443315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.443315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.443315 (E_RNA)
where:
Base-Base interactions energy: -1224.201
where: short stacking energy: -523.064
Base-Backbone interact. energy: -1.768
local terms energy: -520.474344
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -85.842
flat angles C4'-P-C4' energy: -116.847
flat angles P-C4'-P energy: -73.340
tors. eta vs tors. theta energy: -152.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1671.179359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.179359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.179359 (E_RNA)
where:
Base-Base interactions energy: -1171.507
where: short stacking energy: -484.055
Base-Backbone interact. energy: -0.191
local terms energy: -499.481183
where:
bonds (distance) C4'-P energy: -89.665
bonds (distance) P-C4' energy: -89.716
flat angles C4'-P-C4' energy: -104.478
flat angles P-C4'-P energy: -70.330
tors. eta vs tors. theta energy: -145.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1632.018322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.018322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.018322 (E_RNA)
where:
Base-Base interactions energy: -1134.038
where: short stacking energy: -476.296
Base-Backbone interact. energy: -0.722
local terms energy: -497.258498
where:
bonds (distance) C4'-P energy: -79.090
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -110.402
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -144.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1593.134006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.134006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.134006 (E_RNA)
where:
Base-Base interactions energy: -1112.129
where: short stacking energy: -473.995
Base-Backbone interact. energy: -1.294
local terms energy: -479.710819
where:
bonds (distance) C4'-P energy: -89.626
bonds (distance) P-C4' energy: -83.839
flat angles C4'-P-C4' energy: -93.463
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -134.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1463.170583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.170583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.170583 (E_RNA)
where:
Base-Base interactions energy: -1018.504
where: short stacking energy: -449.375
Base-Backbone interact. energy: -1.701
local terms energy: -442.965015
where:
bonds (distance) C4'-P energy: -73.243
bonds (distance) P-C4' energy: -85.033
flat angles C4'-P-C4' energy: -101.014
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -125.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1250.269274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.269274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.269274 (E_RNA)
where:
Base-Base interactions energy: -870.806
where: short stacking energy: -348.358
Base-Backbone interact. energy: 1.847
local terms energy: -381.310115
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -86.313
flat angles C4'-P-C4' energy: -72.066
flat angles P-C4'-P energy: -54.829
tors. eta vs tors. theta energy: -85.833
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: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -994.273036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.273036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.273036 (E_RNA)
where:
Base-Base interactions energy: -635.042
where: short stacking energy: -274.994
Base-Backbone interact. energy: 1.060
local terms energy: -360.291125
where:
bonds (distance) C4'-P energy: -77.864
bonds (distance) P-C4' energy: -92.659
flat angles C4'-P-C4' energy: -86.847
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -49.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -807.815357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.815357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.815357 (E_RNA)
where:
Base-Base interactions energy: -509.853
where: short stacking energy: -225.610
Base-Backbone interact. energy: 1.268
local terms energy: -299.229508
where:
bonds (distance) C4'-P energy: -72.490
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -78.449
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1828.760166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.760166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.760166 (E_RNA)
where:
Base-Base interactions energy: -1308.728
where: short stacking energy: -512.073
Base-Backbone interact. energy: 1.640
local terms energy: -521.671491
where:
bonds (distance) C4'-P energy: -90.255
bonds (distance) P-C4' energy: -97.552
flat angles C4'-P-C4' energy: -107.752
flat angles P-C4'-P energy: -81.682
tors. eta vs tors. theta energy: -144.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1756.290449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.290449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.290449 (E_RNA)
where:
Base-Base interactions energy: -1231.833
where: short stacking energy: -518.025
Base-Backbone interact. energy: -0.300
local terms energy: -524.156945
where:
bonds (distance) C4'-P energy: -97.762
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -105.532
flat angles P-C4'-P energy: -73.534
tors. eta vs tors. theta energy: -155.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1735.554625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.554625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.554625 (E_RNA)
where:
Base-Base interactions energy: -1203.150
where: short stacking energy: -500.570
Base-Backbone interact. energy: -1.026
local terms energy: -531.378196
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -108.316
flat angles C4'-P-C4' energy: -107.130
flat angles P-C4'-P energy: -70.321
tors. eta vs tors. theta energy: -154.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1614.008847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.008847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.008847 (E_RNA)
where:
Base-Base interactions energy: -1135.448
where: short stacking energy: -469.120
Base-Backbone interact. energy: -1.316
local terms energy: -477.244762
where:
bonds (distance) C4'-P energy: -80.268
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -95.287
flat angles P-C4'-P energy: -79.895
tors. eta vs tors. theta energy: -134.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1653.486227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.486227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.486227 (E_RNA)
where:
Base-Base interactions energy: -1176.621
where: short stacking energy: -466.415
Base-Backbone interact. energy: 2.970
local terms energy: -479.835148
where:
bonds (distance) C4'-P energy: -72.663
bonds (distance) P-C4' energy: -92.161
flat angles C4'-P-C4' energy: -108.536
flat angles P-C4'-P energy: -71.101
tors. eta vs tors. theta energy: -135.375
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: 213
Temperature: 1.150000
Total energy: -1497.658739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.658739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.658739 (E_RNA)
where:
Base-Base interactions energy: -1057.588
where: short stacking energy: -436.820
Base-Backbone interact. energy: -0.378
local terms energy: -439.692645
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -75.913
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -118.259
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: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1462.031340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.031340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.031340 (E_RNA)
where:
Base-Base interactions energy: -1034.734
where: short stacking energy: -414.071
Base-Backbone interact. energy: -2.281
local terms energy: -425.016143
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -80.805
flat angles C4'-P-C4' energy: -95.452
flat angles P-C4'-P energy: -53.877
tors. eta vs tors. theta energy: -112.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1211.747045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.747045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.747045 (E_RNA)
where:
Base-Base interactions energy: -840.430
where: short stacking energy: -339.828
Base-Backbone interact. energy: 2.425
local terms energy: -373.742538
where:
bonds (distance) C4'-P energy: -72.059
bonds (distance) P-C4' energy: -84.074
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -65.901
tors. eta vs tors. theta energy: -80.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1008.363961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.363961 (E_RNA)
where:
Base-Base interactions energy: -665.978
where: short stacking energy: -299.470
Base-Backbone interact. energy: -1.470
local terms energy: -340.915665
where:
bonds (distance) C4'-P energy: -71.567
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -79.160
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -836.302567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.302567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.302567 (E_RNA)
where:
Base-Base interactions energy: -517.784
where: short stacking energy: -232.774
Base-Backbone interact. energy: -1.109
local terms energy: -317.409786
where:
bonds (distance) C4'-P energy: -84.934
bonds (distance) P-C4' energy: -68.383
flat angles C4'-P-C4' energy: -81.177
flat angles P-C4'-P energy: -49.436
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1850.036121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.036121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.036121 (E_RNA)
where:
Base-Base interactions energy: -1309.900
where: short stacking energy: -547.453
Base-Backbone interact. energy: -0.796
local terms energy: -539.340738
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -100.723
flat angles C4'-P-C4' energy: -109.685
flat angles P-C4'-P energy: -82.918
tors. eta vs tors. theta energy: -151.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1777.671661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.671661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.671661 (E_RNA)
where:
Base-Base interactions energy: -1247.672
where: short stacking energy: -499.634
Base-Backbone interact. energy: -1.279
local terms energy: -528.720430
where:
bonds (distance) C4'-P energy: -101.671
bonds (distance) P-C4' energy: -101.799
flat angles C4'-P-C4' energy: -100.626
flat angles P-C4'-P energy: -73.809
tors. eta vs tors. theta energy: -150.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1726.102011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.102011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.102011 (E_RNA)
where:
Base-Base interactions energy: -1202.067
where: short stacking energy: -513.771
Base-Backbone interact. energy: -0.676
local terms energy: -523.359052
where:
bonds (distance) C4'-P energy: -104.916
bonds (distance) P-C4' energy: -85.667
flat angles C4'-P-C4' energy: -108.922
flat angles P-C4'-P energy: -78.122
tors. eta vs tors. theta energy: -145.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1636.912861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.912861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.912861 (E_RNA)
where:
Base-Base interactions energy: -1169.119
where: short stacking energy: -471.004
Base-Backbone interact. energy: -3.438
local terms energy: -464.356247
where:
bonds (distance) C4'-P energy: -70.120
bonds (distance) P-C4' energy: -95.861
flat angles C4'-P-C4' energy: -112.623
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -112.326
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: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1641.379367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.379367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.379367 (E_RNA)
where:
Base-Base interactions energy: -1156.949
where: short stacking energy: -478.689
Base-Backbone interact. energy: 1.883
local terms energy: -486.313521
where:
bonds (distance) C4'-P energy: -101.691
bonds (distance) P-C4' energy: -83.711
flat angles C4'-P-C4' energy: -106.727
flat angles P-C4'-P energy: -62.851
tors. eta vs tors. theta energy: -131.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1503.367209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.367209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.367209 (E_RNA)
where:
Base-Base interactions energy: -1033.374
where: short stacking energy: -436.231
Base-Backbone interact. energy: -0.582
local terms energy: -469.410908
where:
bonds (distance) C4'-P energy: -92.653
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -124.986
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: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1457.103360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.103360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.103360 (E_RNA)
where:
Base-Base interactions energy: -1008.478
where: short stacking energy: -433.555
Base-Backbone interact. energy: -1.656
local terms energy: -446.968909
where:
bonds (distance) C4'-P energy: -87.762
bonds (distance) P-C4' energy: -85.388
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -121.526
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: 214
Temperature: 1.250000
Total energy: -1212.325217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.325217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.325217 (E_RNA)
where:
Base-Base interactions energy: -841.085
where: short stacking energy: -332.576
Base-Backbone interact. energy: -0.448
local terms energy: -370.792017
where:
bonds (distance) C4'-P energy: -77.422
bonds (distance) P-C4' energy: -84.267
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: -77.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1024.261235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.261235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.261235 (E_RNA)
where:
Base-Base interactions energy: -681.806
where: short stacking energy: -299.567
Base-Backbone interact. energy: -0.676
local terms energy: -341.779971
where:
bonds (distance) C4'-P energy: -76.192
bonds (distance) P-C4' energy: -86.710
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -61.100
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: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -795.902216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.902216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.902216 (E_RNA)
where:
Base-Base interactions energy: -497.656
where: short stacking energy: -216.511
Base-Backbone interact. energy: 2.483
local terms energy: -300.729511
where:
bonds (distance) C4'-P energy: -75.157
bonds (distance) P-C4' energy: -84.047
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1837.842582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.842582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.842582 (E_RNA)
where:
Base-Base interactions energy: -1292.099
where: short stacking energy: -523.682
Base-Backbone interact. energy: -2.766
local terms energy: -542.977548
where:
bonds (distance) C4'-P energy: -102.575
bonds (distance) P-C4' energy: -93.423
flat angles C4'-P-C4' energy: -115.870
flat angles P-C4'-P energy: -80.136
tors. eta vs tors. theta energy: -150.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1776.579527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.579527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.579527 (E_RNA)
where:
Base-Base interactions energy: -1232.868
where: short stacking energy: -521.239
Base-Backbone interact. energy: -1.898
local terms energy: -541.813956
where:
bonds (distance) C4'-P energy: -100.352
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -111.622
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -154.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1773.773175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.773175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.773175 (E_RNA)
where:
Base-Base interactions energy: -1253.211
where: short stacking energy: -514.889
Base-Backbone interact. energy: 1.094
local terms energy: -521.655929
where:
bonds (distance) C4'-P energy: -92.070
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -109.502
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -149.600
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: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1687.609349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.609349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.609349 (E_RNA)
where:
Base-Base interactions energy: -1196.940
where: short stacking energy: -488.106
Base-Backbone interact. energy: 0.995
local terms energy: -491.664536
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -110.855
flat angles P-C4'-P energy: -78.647
tors. eta vs tors. theta energy: -144.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1597.898467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.898467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.898467 (E_RNA)
where:
Base-Base interactions energy: -1141.614
where: short stacking energy: -475.193
Base-Backbone interact. energy: -1.777
local terms energy: -454.507238
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -81.456
flat angles C4'-P-C4' energy: -97.151
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -127.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1519.665591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.665591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.665591 (E_RNA)
where:
Base-Base interactions energy: -1076.693
where: short stacking energy: -438.244
Base-Backbone interact. energy: -2.214
local terms energy: -440.759409
where:
bonds (distance) C4'-P energy: -75.939
bonds (distance) P-C4' energy: -80.863
flat angles C4'-P-C4' energy: -106.938
flat angles P-C4'-P energy: -72.886
tors. eta vs tors. theta energy: -104.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1457.396705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.396705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.396705 (E_RNA)
where:
Base-Base interactions energy: -1035.790
where: short stacking energy: -424.692
Base-Backbone interact. energy: -0.216
local terms energy: -421.389872
where:
bonds (distance) C4'-P energy: -79.972
bonds (distance) P-C4' energy: -73.798
flat angles C4'-P-C4' energy: -93.227
flat angles P-C4'-P energy: -61.610
tors. eta vs tors. theta energy: -112.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1213.851362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.851362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.851362 (E_RNA)
where:
Base-Base interactions energy: -824.553
where: short stacking energy: -340.354
Base-Backbone interact. energy: 1.614
local terms energy: -390.912594
where:
bonds (distance) C4'-P energy: -68.286
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -89.917
flat angles P-C4'-P energy: -52.496
tors. eta vs tors. theta energy: -86.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1003.898571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.898571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.898571 (E_RNA)
where:
Base-Base interactions energy: -650.519
where: short stacking energy: -318.695
Base-Backbone interact. energy: -3.010
local terms energy: -350.369414
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -96.914
flat angles P-C4'-P energy: -48.105
tors. eta vs tors. theta energy: -75.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -753.487565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.487565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.487565 (E_RNA)
where:
Base-Base interactions energy: -455.389
where: short stacking energy: -219.943
Base-Backbone interact. energy: -1.079
local terms energy: -297.019559
where:
bonds (distance) C4'-P energy: -74.817
bonds (distance) P-C4' energy: -78.577
flat angles C4'-P-C4' energy: -74.530
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1857.899654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.899654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.899654 (E_RNA)
where:
Base-Base interactions energy: -1311.341
where: short stacking energy: -532.698
Base-Backbone interact. energy: -1.585
local terms energy: -544.974427
where:
bonds (distance) C4'-P energy: -97.762
bonds (distance) P-C4' energy: -102.481
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -70.031
tors. eta vs tors. theta energy: -157.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1799.897406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.897406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.897406 (E_RNA)
where:
Base-Base interactions energy: -1274.742
where: short stacking energy: -530.163
Base-Backbone interact. energy: -2.328
local terms energy: -522.827009
where:
bonds (distance) C4'-P energy: -91.435
bonds (distance) P-C4' energy: -96.776
flat angles C4'-P-C4' energy: -106.423
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -148.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1751.957489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.957489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.957489 (E_RNA)
where:
Base-Base interactions energy: -1241.748
where: short stacking energy: -511.323
Base-Backbone interact. energy: -3.198
local terms energy: -507.011777
where:
bonds (distance) C4'-P energy: -86.896
bonds (distance) P-C4' energy: -96.379
flat angles C4'-P-C4' energy: -111.060
flat angles P-C4'-P energy: -71.606
tors. eta vs tors. theta energy: -141.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1693.514297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.514297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.514297 (E_RNA)
where:
Base-Base interactions energy: -1202.182
where: short stacking energy: -501.853
Base-Backbone interact. energy: -0.893
local terms energy: -490.439615
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -73.943
tors. eta vs tors. theta energy: -139.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1594.985446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.985446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.985446 (E_RNA)
where:
Base-Base interactions energy: -1140.024
where: short stacking energy: -440.767
Base-Backbone interact. energy: -1.286
local terms energy: -453.675120
where:
bonds (distance) C4'-P energy: -80.522
bonds (distance) P-C4' energy: -87.439
flat angles C4'-P-C4' energy: -97.168
flat angles P-C4'-P energy: -72.787
tors. eta vs tors. theta energy: -115.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1544.684043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.684043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.684043 (E_RNA)
where:
Base-Base interactions energy: -1072.489
where: short stacking energy: -429.441
Base-Backbone interact. energy: 3.908
local terms energy: -476.103573
where:
bonds (distance) C4'-P energy: -81.565
bonds (distance) P-C4' energy: -96.548
flat angles C4'-P-C4' energy: -109.864
flat angles P-C4'-P energy: -72.953
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: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1489.419737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.419737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.419737 (E_RNA)
where:
Base-Base interactions energy: -1023.797
where: short stacking energy: -448.758
Base-Backbone interact. energy: -2.486
local terms energy: -463.136637
where:
bonds (distance) C4'-P energy: -81.771
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -102.140
flat angles P-C4'-P energy: -64.606
tors. eta vs tors. theta energy: -138.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1189.875856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.875856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.875856 (E_RNA)
where:
Base-Base interactions energy: -799.407
where: short stacking energy: -340.048
Base-Backbone interact. energy: -1.385
local terms energy: -389.083410
where:
bonds (distance) C4'-P energy: -81.951
bonds (distance) P-C4' energy: -83.545
flat angles C4'-P-C4' energy: -93.740
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: -79.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -941.640809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.640809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.640809 (E_RNA)
where:
Base-Base interactions energy: -606.662
where: short stacking energy: -264.677
Base-Backbone interact. energy: -1.381
local terms energy: -333.598269
where:
bonds (distance) C4'-P energy: -67.050
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -80.583
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -60.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -814.888232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.888232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.888232 (E_RNA)
where:
Base-Base interactions energy: -504.826
where: short stacking energy: -227.235
Base-Backbone interact. energy: 1.718
local terms energy: -311.780715
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -76.865
flat angles C4'-P-C4' energy: -82.554
flat angles P-C4'-P energy: -54.611
tors. eta vs tors. theta energy: -25.113
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1870.970071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.970071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.970071 (E_RNA)
where:
Base-Base interactions energy: -1333.646
where: short stacking energy: -535.349
Base-Backbone interact. energy: 0.037
local terms energy: -537.361869
where:
bonds (distance) C4'-P energy: -85.708
bonds (distance) P-C4' energy: -98.136
flat angles C4'-P-C4' energy: -117.951
flat angles P-C4'-P energy: -82.508
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1773.562771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.562771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.562771 (E_RNA)
where:
Base-Base interactions energy: -1248.062
where: short stacking energy: -527.533
Base-Backbone interact. energy: 0.038
local terms energy: -525.538828
where:
bonds (distance) C4'-P energy: -92.970
bonds (distance) P-C4' energy: -90.804
flat angles C4'-P-C4' energy: -108.740
flat angles P-C4'-P energy: -86.655
tors. eta vs tors. theta energy: -146.369
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1769.925241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.925241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.925241 (E_RNA)
where:
Base-Base interactions energy: -1246.535
where: short stacking energy: -527.379
Base-Backbone interact. energy: -2.254
local terms energy: -521.136224
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -87.441
flat angles C4'-P-C4' energy: -102.199
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -152.436
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: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1679.519880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.519880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.519880 (E_RNA)
where:
Base-Base interactions energy: -1193.149
where: short stacking energy: -501.770
Base-Backbone interact. energy: -2.334
local terms energy: -484.036492
where:
bonds (distance) C4'-P energy: -77.768
bonds (distance) P-C4' energy: -87.333
flat angles C4'-P-C4' energy: -109.945
flat angles P-C4'-P energy: -59.758
tors. eta vs tors. theta energy: -149.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1588.824656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.824656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.824656 (E_RNA)
where:
Base-Base interactions energy: -1137.525
where: short stacking energy: -446.026
Base-Backbone interact. energy: 3.459
local terms energy: -454.758540
where:
bonds (distance) C4'-P energy: -81.775
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -100.591
flat angles P-C4'-P energy: -53.669
tors. eta vs tors. theta energy: -123.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1557.789151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.789151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.789151 (E_RNA)
where:
Base-Base interactions energy: -1105.278
where: short stacking energy: -458.458
Base-Backbone interact. energy: 3.586
local terms energy: -456.097081
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -91.364
flat angles C4'-P-C4' energy: -98.574
flat angles P-C4'-P energy: -58.630
tors. eta vs tors. theta energy: -120.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1468.484961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.484961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.484961 (E_RNA)
where:
Base-Base interactions energy: -1040.768
where: short stacking energy: -421.545
Base-Backbone interact. energy: 1.319
local terms energy: -429.036733
where:
bonds (distance) C4'-P energy: -82.434
bonds (distance) P-C4' energy: -72.607
flat angles C4'-P-C4' energy: -98.647
flat angles P-C4'-P energy: -72.030
tors. eta vs tors. theta energy: -103.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1277.383054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.383054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.383054 (E_RNA)
where:
Base-Base interactions energy: -883.049
where: short stacking energy: -370.946
Base-Backbone interact. energy: -2.271
local terms energy: -392.062609
where:
bonds (distance) C4'-P energy: -80.370
bonds (distance) P-C4' energy: -83.980
flat angles C4'-P-C4' energy: -88.499
flat angles P-C4'-P energy: -50.720
tors. eta vs tors. theta energy: -88.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -981.395974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.395974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.395974 (E_RNA)
where:
Base-Base interactions energy: -639.814
where: short stacking energy: -300.394
Base-Backbone interact. energy: 1.310
local terms energy: -342.891660
where:
bonds (distance) C4'-P energy: -69.572
bonds (distance) P-C4' energy: -77.989
flat angles C4'-P-C4' energy: -91.243
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -63.330
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: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -846.648856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.648856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.648856 (E_RNA)
where:
Base-Base interactions energy: -557.066
where: short stacking energy: -257.761
Base-Backbone interact. energy: -1.175
local terms energy: -288.408118
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -79.398
flat angles C4'-P-C4' energy: -70.129
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -37.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1854.989195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.989195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.989195 (E_RNA)
where:
Base-Base interactions energy: -1313.226
where: short stacking energy: -537.104
Base-Backbone interact. energy: -3.570
local terms energy: -538.192667
where:
bonds (distance) C4'-P energy: -99.271
bonds (distance) P-C4' energy: -97.986
flat angles C4'-P-C4' energy: -116.603
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -149.109
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: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1803.882378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.882378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.882378 (E_RNA)
where:
Base-Base interactions energy: -1270.583
where: short stacking energy: -542.370
Base-Backbone interact. energy: -0.891
local terms energy: -532.407684
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -99.660
flat angles C4'-P-C4' energy: -104.802
flat angles P-C4'-P energy: -84.761
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: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1752.652109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.652109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.652109 (E_RNA)
where:
Base-Base interactions energy: -1228.898
where: short stacking energy: -508.051
Base-Backbone interact. energy: -1.612
local terms energy: -522.141771
where:
bonds (distance) C4'-P energy: -89.934
bonds (distance) P-C4' energy: -91.871
flat angles C4'-P-C4' energy: -112.403
flat angles P-C4'-P energy: -76.417
tors. eta vs tors. theta energy: -151.515
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: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1699.563262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.563262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.563262 (E_RNA)
where:
Base-Base interactions energy: -1212.096
where: short stacking energy: -506.546
Base-Backbone interact. energy: -2.133
local terms energy: -485.334797
where:
bonds (distance) C4'-P energy: -81.513
bonds (distance) P-C4' energy: -88.384
flat angles C4'-P-C4' energy: -109.566
flat angles P-C4'-P energy: -70.248
tors. eta vs tors. theta energy: -135.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1561.805167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.805167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.805167 (E_RNA)
where:
Base-Base interactions energy: -1084.378
where: short stacking energy: -452.201
Base-Backbone interact. energy: -2.247
local terms energy: -475.179787
where:
bonds (distance) C4'-P energy: -80.927
bonds (distance) P-C4' energy: -87.880
flat angles C4'-P-C4' energy: -105.451
flat angles P-C4'-P energy: -62.118
tors. eta vs tors. theta energy: -138.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1510.187658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.187658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.187658 (E_RNA)
where:
Base-Base interactions energy: -1073.422
where: short stacking energy: -432.585
Base-Backbone interact. energy: -3.226
local terms energy: -433.538893
where:
bonds (distance) C4'-P energy: -64.391
bonds (distance) P-C4' energy: -87.265
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -72.660
tors. eta vs tors. theta energy: -114.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1451.440657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.440657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.440657 (E_RNA)
where:
Base-Base interactions energy: -1021.027
where: short stacking energy: -426.239
Base-Backbone interact. energy: -0.829
local terms energy: -429.584699
where:
bonds (distance) C4'-P energy: -73.646
bonds (distance) P-C4' energy: -79.791
flat angles C4'-P-C4' energy: -101.336
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -109.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1223.350944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.350944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.350944 (E_RNA)
where:
Base-Base interactions energy: -815.972
where: short stacking energy: -338.982
Base-Backbone interact. energy: 2.955
local terms energy: -410.333811
where:
bonds (distance) C4'-P energy: -91.277
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -96.944
flat angles P-C4'-P energy: -43.839
tors. eta vs tors. theta energy: -84.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -981.152300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.152300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.152300 (E_RNA)
where:
Base-Base interactions energy: -604.055
where: short stacking energy: -272.921
Base-Backbone interact. energy: -2.384
local terms energy: -374.713034
where:
bonds (distance) C4'-P energy: -82.009
bonds (distance) P-C4' energy: -86.820
flat angles C4'-P-C4' energy: -80.535
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -73.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -792.879286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.879286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.879286 (E_RNA)
where:
Base-Base interactions energy: -490.332
where: short stacking energy: -204.736
Base-Backbone interact. energy: -3.352
local terms energy: -299.195146
where:
bonds (distance) C4'-P energy: -74.600
bonds (distance) P-C4' energy: -88.927
flat angles C4'-P-C4' energy: -66.106
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1852.504932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.504932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.504932 (E_RNA)
where:
Base-Base interactions energy: -1295.092
where: short stacking energy: -538.491
Base-Backbone interact. energy: -3.772
local terms energy: -553.640776
where:
bonds (distance) C4'-P energy: -93.912
bonds (distance) P-C4' energy: -105.390
flat angles C4'-P-C4' energy: -109.634
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -164.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1804.785119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.785119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.785119 (E_RNA)
where:
Base-Base interactions energy: -1280.854
where: short stacking energy: -533.999
Base-Backbone interact. energy: -2.073
local terms energy: -521.857769
where:
bonds (distance) C4'-P energy: -97.984
bonds (distance) P-C4' energy: -93.664
flat angles C4'-P-C4' energy: -106.715
flat angles P-C4'-P energy: -80.023
tors. eta vs tors. theta energy: -143.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1747.495910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.495910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.495910 (E_RNA)
where:
Base-Base interactions energy: -1255.102
where: short stacking energy: -523.367
Base-Backbone interact. energy: -1.176
local terms energy: -491.218318
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -95.840
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -71.188
tors. eta vs tors. theta energy: -154.502
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: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1629.066041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.066041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.066041 (E_RNA)
where:
Base-Base interactions energy: -1123.948
where: short stacking energy: -476.420
Base-Backbone interact. energy: -2.773
local terms energy: -502.345466
where:
bonds (distance) C4'-P energy: -103.490
bonds (distance) P-C4' energy: -77.666
flat angles C4'-P-C4' energy: -108.561
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -141.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1625.741274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.741274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.741274 (E_RNA)
where:
Base-Base interactions energy: -1139.031
where: short stacking energy: -474.497
Base-Backbone interact. energy: -0.616
local terms energy: -486.093552
where:
bonds (distance) C4'-P energy: -85.416
bonds (distance) P-C4' energy: -93.696
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -68.711
tors. eta vs tors. theta energy: -132.537
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: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1532.727723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.727723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.727723 (E_RNA)
where:
Base-Base interactions energy: -1075.453
where: short stacking energy: -436.461
Base-Backbone interact. energy: -1.037
local terms energy: -456.237775
where:
bonds (distance) C4'-P energy: -80.580
bonds (distance) P-C4' energy: -91.042
flat angles C4'-P-C4' energy: -102.093
flat angles P-C4'-P energy: -63.905
tors. eta vs tors. theta energy: -118.618
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: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1435.835139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.835139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.835139 (E_RNA)
where:
Base-Base interactions energy: -977.920
where: short stacking energy: -393.938
Base-Backbone interact. energy: -1.121
local terms energy: -456.795043
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -88.584
flat angles C4'-P-C4' energy: -104.309
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -109.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1236.627742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.627742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.627742 (E_RNA)
where:
Base-Base interactions energy: -866.522
where: short stacking energy: -359.151
Base-Backbone interact. energy: -2.465
local terms energy: -367.641069
where:
bonds (distance) C4'-P energy: -76.006
bonds (distance) P-C4' energy: -76.529
flat angles C4'-P-C4' energy: -78.999
flat angles P-C4'-P energy: -53.086
tors. eta vs tors. theta energy: -83.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1008.946778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.946778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.946778 (E_RNA)
where:
Base-Base interactions energy: -683.225
where: short stacking energy: -277.762
Base-Backbone interact. energy: 2.582
local terms energy: -328.303801
where:
bonds (distance) C4'-P energy: -73.320
bonds (distance) P-C4' energy: -75.665
flat angles C4'-P-C4' energy: -64.482
flat angles P-C4'-P energy: -61.211
tors. eta vs tors. theta energy: -53.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -807.221272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.221272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.221272 (E_RNA)
where:
Base-Base interactions energy: -507.156
where: short stacking energy: -227.632
Base-Backbone interact. energy: 3.920
local terms energy: -303.985491
where:
bonds (distance) C4'-P energy: -75.135
bonds (distance) P-C4' energy: -68.496
flat angles C4'-P-C4' energy: -79.147
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1848.371565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.371565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.371565 (E_RNA)
where:
Base-Base interactions energy: -1316.235
where: short stacking energy: -538.680
Base-Backbone interact. energy: -0.097
local terms energy: -532.039771
where:
bonds (distance) C4'-P energy: -97.043
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -115.809
flat angles P-C4'-P energy: -81.283
tors. eta vs tors. theta energy: -149.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1779.866364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.866364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.866364 (E_RNA)
where:
Base-Base interactions energy: -1253.760
where: short stacking energy: -521.890
Base-Backbone interact. energy: -2.469
local terms energy: -523.637452
where:
bonds (distance) C4'-P energy: -96.571
bonds (distance) P-C4' energy: -102.854
flat angles C4'-P-C4' energy: -103.662
flat angles P-C4'-P energy: -69.928
tors. eta vs tors. theta energy: -150.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1745.628590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.628590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.628590 (E_RNA)
where:
Base-Base interactions energy: -1227.197
where: short stacking energy: -495.380
Base-Backbone interact. energy: -2.310
local terms energy: -516.121497
where:
bonds (distance) C4'-P energy: -91.988
bonds (distance) P-C4' energy: -103.117
flat angles C4'-P-C4' energy: -110.597
flat angles P-C4'-P energy: -73.590
tors. eta vs tors. theta energy: -136.830
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: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1619.299534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.299534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.299534 (E_RNA)
where:
Base-Base interactions energy: -1140.644
where: short stacking energy: -464.816
Base-Backbone interact. energy: -0.574
local terms energy: -478.081641
where:
bonds (distance) C4'-P energy: -84.577
bonds (distance) P-C4' energy: -86.268
flat angles C4'-P-C4' energy: -99.188
flat angles P-C4'-P energy: -80.351
tors. eta vs tors. theta energy: -127.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1618.327880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.327880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.327880 (E_RNA)
where:
Base-Base interactions energy: -1132.430
where: short stacking energy: -462.736
Base-Backbone interact. energy: -0.407
local terms energy: -485.490946
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -90.047
flat angles C4'-P-C4' energy: -101.742
flat angles P-C4'-P energy: -68.560
tors. eta vs tors. theta energy: -132.837
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1528.177367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.177367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.177367 (E_RNA)
where:
Base-Base interactions energy: -1098.110
where: short stacking energy: -445.310
Base-Backbone interact. energy: -1.417
local terms energy: -428.650222
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -85.513
flat angles C4'-P-C4' energy: -93.545
flat angles P-C4'-P energy: -62.148
tors. eta vs tors. theta energy: -112.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1465.609258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.609258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.609258 (E_RNA)
where:
Base-Base interactions energy: -1024.065
where: short stacking energy: -420.483
Base-Backbone interact. energy: 3.828
local terms energy: -445.371579
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -79.739
flat angles C4'-P-C4' energy: -89.169
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -128.515
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: 220
Temperature: 1.250000
Total energy: -1274.868536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.868536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.868536 (E_RNA)
where:
Base-Base interactions energy: -876.364
where: short stacking energy: -387.666
Base-Backbone interact. energy: -2.857
local terms energy: -395.646747
where:
bonds (distance) C4'-P energy: -87.488
bonds (distance) P-C4' energy: -80.556
flat angles C4'-P-C4' energy: -81.829
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -82.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -990.780933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.780933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.780933 (E_RNA)
where:
Base-Base interactions energy: -643.753
where: short stacking energy: -283.381
Base-Backbone interact. energy: -0.896
local terms energy: -346.132144
where:
bonds (distance) C4'-P energy: -69.626
bonds (distance) P-C4' energy: -80.642
flat angles C4'-P-C4' energy: -83.311
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: -63.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -807.668509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.668509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.668509 (E_RNA)
where:
Base-Base interactions energy: -510.856
where: short stacking energy: -221.487
Base-Backbone interact. energy: -0.019
local terms energy: -296.793141
where:
bonds (distance) C4'-P energy: -60.728
bonds (distance) P-C4' energy: -91.535
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -41.043
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1852.580112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.580112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.580112 (E_RNA)
where:
Base-Base interactions energy: -1311.861
where: short stacking energy: -548.825
Base-Backbone interact. energy: -1.289
local terms energy: -539.430222
where:
bonds (distance) C4'-P energy: -91.233
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -116.555
flat angles P-C4'-P energy: -73.341
tors. eta vs tors. theta energy: -158.213
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1810.090993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.090993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.090993 (E_RNA)
where:
Base-Base interactions energy: -1282.471
where: short stacking energy: -533.707
Base-Backbone interact. energy: -0.717
local terms energy: -526.902899
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -91.802
flat angles C4'-P-C4' energy: -105.721
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -150.531
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: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1756.599815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.599815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.599815 (E_RNA)
where:
Base-Base interactions energy: -1253.423
where: short stacking energy: -511.818
Base-Backbone interact. energy: -1.973
local terms energy: -501.204224
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -85.441
flat angles C4'-P-C4' energy: -105.467
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -152.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1610.227066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.227066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.227066 (E_RNA)
where:
Base-Base interactions energy: -1114.792
where: short stacking energy: -458.942
Base-Backbone interact. energy: -2.231
local terms energy: -493.204176
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -103.726
flat angles P-C4'-P energy: -81.509
tors. eta vs tors. theta energy: -127.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1638.560591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.560591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.560591 (E_RNA)
where:
Base-Base interactions energy: -1150.580
where: short stacking energy: -489.303
Base-Backbone interact. energy: -3.001
local terms energy: -484.980014
where:
bonds (distance) C4'-P energy: -74.646
bonds (distance) P-C4' energy: -94.655
flat angles C4'-P-C4' energy: -102.015
flat angles P-C4'-P energy: -73.843
tors. eta vs tors. theta energy: -139.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1516.537442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.537442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.537442 (E_RNA)
where:
Base-Base interactions energy: -1071.889
where: short stacking energy: -440.027
Base-Backbone interact. energy: -2.606
local terms energy: -442.041865
where:
bonds (distance) C4'-P energy: -89.328
bonds (distance) P-C4' energy: -80.353
flat angles C4'-P-C4' energy: -100.213
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: -114.260
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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1505.352486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.352486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.352486 (E_RNA)
where:
Base-Base interactions energy: -1063.562
where: short stacking energy: -419.950
Base-Backbone interact. energy: 0.221
local terms energy: -442.011739
where:
bonds (distance) C4'-P energy: -69.836
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -93.584
flat angles P-C4'-P energy: -63.690
tors. eta vs tors. theta energy: -123.534
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: 221
Temperature: 1.250000
Total energy: -1207.038997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.038997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.038997 (E_RNA)
where:
Base-Base interactions energy: -833.119
where: short stacking energy: -354.402
Base-Backbone interact. energy: 4.481
local terms energy: -378.401423
where:
bonds (distance) C4'-P energy: -68.381
bonds (distance) P-C4' energy: -82.938
flat angles C4'-P-C4' energy: -83.414
flat angles P-C4'-P energy: -56.995
tors. eta vs tors. theta energy: -86.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -965.953774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.953774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.953774 (E_RNA)
where:
Base-Base interactions energy: -611.434
where: short stacking energy: -268.476
Base-Backbone interact. energy: 4.246
local terms energy: -358.765984
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -96.141
flat angles C4'-P-C4' energy: -77.943
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -44.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -812.708025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.708025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.708025 (E_RNA)
where:
Base-Base interactions energy: -532.870
where: short stacking energy: -246.669
Base-Backbone interact. energy: 6.560
local terms energy: -286.397624
where:
bonds (distance) C4'-P energy: -56.182
bonds (distance) P-C4' energy: -71.957
flat angles C4'-P-C4' energy: -77.186
flat angles P-C4'-P energy: -48.344
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1836.295962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.295962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.295962 (E_RNA)
where:
Base-Base interactions energy: -1278.549
where: short stacking energy: -527.409
Base-Backbone interact. energy: 1.387
local terms energy: -559.133899
where:
bonds (distance) C4'-P energy: -108.946
bonds (distance) P-C4' energy: -90.035
flat angles C4'-P-C4' energy: -118.477
flat angles P-C4'-P energy: -88.074
tors. eta vs tors. theta energy: -153.601
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1792.071496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.071496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.071496 (E_RNA)
where:
Base-Base interactions energy: -1249.172
where: short stacking energy: -517.762
Base-Backbone interact. energy: -0.229
local terms energy: -542.670575
where:
bonds (distance) C4'-P energy: -97.218
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -117.533
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -147.180
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: 222
Temperature: 1.000000
Total energy: -1764.870299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.870299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.870299 (E_RNA)
where:
Base-Base interactions energy: -1260.227
where: short stacking energy: -522.349
Base-Backbone interact. energy: 2.150
local terms energy: -506.793610
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -91.811
flat angles C4'-P-C4' energy: -107.722
flat angles P-C4'-P energy: -73.031
tors. eta vs tors. theta energy: -150.969
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1621.669475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.669475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.669475 (E_RNA)
where:
Base-Base interactions energy: -1122.416
where: short stacking energy: -444.756
Base-Backbone interact. energy: -1.333
local terms energy: -497.920118
where:
bonds (distance) C4'-P energy: -99.452
bonds (distance) P-C4' energy: -87.235
flat angles C4'-P-C4' energy: -104.878
flat angles P-C4'-P energy: -77.787
tors. eta vs tors. theta energy: -128.568
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1649.936708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.936708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.936708 (E_RNA)
where:
Base-Base interactions energy: -1175.800
where: short stacking energy: -484.769
Base-Backbone interact. energy: -1.102
local terms energy: -473.035462
where:
bonds (distance) C4'-P energy: -79.182
bonds (distance) P-C4' energy: -89.842
flat angles C4'-P-C4' energy: -96.787
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -146.064
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1536.538755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.538755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.538755 (E_RNA)
where:
Base-Base interactions energy: -1073.424
where: short stacking energy: -444.425
Base-Backbone interact. energy: -1.886
local terms energy: -461.227930
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -92.137
flat angles P-C4'-P energy: -65.560
tors. eta vs tors. theta energy: -128.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1504.416412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.416412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.416412 (E_RNA)
where:
Base-Base interactions energy: -1054.617
where: short stacking energy: -437.803
Base-Backbone interact. energy: -1.519
local terms energy: -448.280600
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -92.055
flat angles C4'-P-C4' energy: -94.632
flat angles P-C4'-P energy: -67.246
tors. eta vs tors. theta energy: -116.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1239.710422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.710422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.710422 (E_RNA)
where:
Base-Base interactions energy: -845.678
where: short stacking energy: -338.998
Base-Backbone interact. energy: -0.824
local terms energy: -393.207998
where:
bonds (distance) C4'-P energy: -55.205
bonds (distance) P-C4' energy: -90.298
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -85.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1001.238453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.238453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.238453 (E_RNA)
where:
Base-Base interactions energy: -653.754
where: short stacking energy: -285.015
Base-Backbone interact. energy: -0.787
local terms energy: -346.697392
where:
bonds (distance) C4'-P energy: -80.039
bonds (distance) P-C4' energy: -77.697
flat angles C4'-P-C4' energy: -73.747
flat angles P-C4'-P energy: -58.279
tors. eta vs tors. theta energy: -56.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -890.349726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.349726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.349726 (E_RNA)
where:
Base-Base interactions energy: -574.664
where: short stacking energy: -248.578
Base-Backbone interact. energy: 1.180
local terms energy: -316.866185
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -84.675
flat angles C4'-P-C4' energy: -84.028
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -42.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1890.420325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.420325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.420325 (E_RNA)
where:
Base-Base interactions energy: -1328.476
where: short stacking energy: -538.113
Base-Backbone interact. energy: -4.141
local terms energy: -557.803827
where:
bonds (distance) C4'-P energy: -93.440
bonds (distance) P-C4' energy: -102.814
flat angles C4'-P-C4' energy: -119.742
flat angles P-C4'-P energy: -83.781
tors. eta vs tors. theta energy: -158.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1777.497884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.497884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.497884 (E_RNA)
where:
Base-Base interactions energy: -1264.423
where: short stacking energy: -523.145
Base-Backbone interact. energy: -1.464
local terms energy: -511.610695
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -97.089
flat angles C4'-P-C4' energy: -109.325
flat angles P-C4'-P energy: -68.690
tors. eta vs tors. theta energy: -144.787
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: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1744.577690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.577690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.577690 (E_RNA)
where:
Base-Base interactions energy: -1243.199
where: short stacking energy: -494.149
Base-Backbone interact. energy: -1.286
local terms energy: -500.092931
where:
bonds (distance) C4'-P energy: -82.263
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -107.589
flat angles P-C4'-P energy: -73.604
tors. eta vs tors. theta energy: -140.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1617.324209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.324209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.324209 (E_RNA)
where:
Base-Base interactions energy: -1138.714
where: short stacking energy: -454.776
Base-Backbone interact. energy: -0.980
local terms energy: -477.630233
where:
bonds (distance) C4'-P energy: -88.745
bonds (distance) P-C4' energy: -98.604
flat angles C4'-P-C4' energy: -100.966
flat angles P-C4'-P energy: -63.194
tors. eta vs tors. theta energy: -126.121
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1637.485085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.485085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.485085 (E_RNA)
where:
Base-Base interactions energy: -1134.368
where: short stacking energy: -494.463
Base-Backbone interact. energy: -0.466
local terms energy: -502.650957
where:
bonds (distance) C4'-P energy: -87.901
bonds (distance) P-C4' energy: -90.791
flat angles C4'-P-C4' energy: -101.303
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: -145.848
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: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1545.468153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.468153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.468153 (E_RNA)
where:
Base-Base interactions energy: -1082.542
where: short stacking energy: -441.106
Base-Backbone interact. energy: -5.491
local terms energy: -457.434851
where:
bonds (distance) C4'-P energy: -72.536
bonds (distance) P-C4' energy: -81.855
flat angles C4'-P-C4' energy: -98.724
flat angles P-C4'-P energy: -73.630
tors. eta vs tors. theta energy: -130.689
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: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1511.574690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.574690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.574690 (E_RNA)
where:
Base-Base interactions energy: -1044.873
where: short stacking energy: -463.949
Base-Backbone interact. energy: -1.604
local terms energy: -465.097985
where:
bonds (distance) C4'-P energy: -84.384
bonds (distance) P-C4' energy: -86.507
flat angles C4'-P-C4' energy: -98.598
flat angles P-C4'-P energy: -54.303
tors. eta vs tors. theta energy: -141.305
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: 223
Temperature: 1.250000
Total energy: -1257.774887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.774887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.774887 (E_RNA)
where:
Base-Base interactions energy: -870.293
where: short stacking energy: -350.387
Base-Backbone interact. energy: 4.844
local terms energy: -392.326067
where:
bonds (distance) C4'-P energy: -76.474
bonds (distance) P-C4' energy: -90.093
flat angles C4'-P-C4' energy: -84.920
flat angles P-C4'-P energy: -54.545
tors. eta vs tors. theta energy: -86.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1007.204418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.204418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.204418 (E_RNA)
where:
Base-Base interactions energy: -662.476
where: short stacking energy: -284.076
Base-Backbone interact. energy: -0.716
local terms energy: -344.013030
where:
bonds (distance) C4'-P energy: -70.849
bonds (distance) P-C4' energy: -89.628
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -61.456
tors. eta vs tors. theta energy: -55.276
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: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -895.031457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.031457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.031457 (E_RNA)
where:
Base-Base interactions energy: -586.268
where: short stacking energy: -237.015
Base-Backbone interact. energy: -1.112
local terms energy: -307.651670
where:
bonds (distance) C4'-P energy: -74.910
bonds (distance) P-C4' energy: -72.855
flat angles C4'-P-C4' energy: -74.511
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -34.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1851.636815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.636815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.636815 (E_RNA)
where:
Base-Base interactions energy: -1306.934
where: short stacking energy: -522.306
Base-Backbone interact. energy: 1.055
local terms energy: -545.757757
where:
bonds (distance) C4'-P energy: -94.205
bonds (distance) P-C4' energy: -110.696
flat angles C4'-P-C4' energy: -109.261
flat angles P-C4'-P energy: -75.229
tors. eta vs tors. theta energy: -156.367
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: 224
Temperature: 0.950000
Total energy: -1797.415450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.415450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.415450 (E_RNA)
where:
Base-Base interactions energy: -1265.624
where: short stacking energy: -529.892
Base-Backbone interact. energy: -2.322
local terms energy: -529.469049
where:
bonds (distance) C4'-P energy: -101.608
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -115.013
flat angles P-C4'-P energy: -76.571
tors. eta vs tors. theta energy: -143.733
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1715.844238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.844238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.844238 (E_RNA)
where:
Base-Base interactions energy: -1221.364
where: short stacking energy: -494.466
Base-Backbone interact. energy: -1.566
local terms energy: -492.914136
where:
bonds (distance) C4'-P energy: -95.485
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -108.017
flat angles P-C4'-P energy: -78.973
tors. eta vs tors. theta energy: -139.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1640.372124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.372124 (E_RNA)
where:
Base-Base interactions energy: -1161.209
where: short stacking energy: -481.658
Base-Backbone interact. energy: -0.150
local terms energy: -479.012731
where:
bonds (distance) C4'-P energy: -84.928
bonds (distance) P-C4' energy: -86.622
flat angles C4'-P-C4' energy: -104.809
flat angles P-C4'-P energy: -62.290
tors. eta vs tors. theta energy: -140.364
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: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1591.509066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.509066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.509066 (E_RNA)
where:
Base-Base interactions energy: -1121.523
where: short stacking energy: -473.601
Base-Backbone interact. energy: -1.321
local terms energy: -468.665283
where:
bonds (distance) C4'-P energy: -69.747
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -107.332
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -141.471
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: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1562.739928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.739928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.739928 (E_RNA)
where:
Base-Base interactions energy: -1095.320
where: short stacking energy: -467.743
Base-Backbone interact. energy: -1.893
local terms energy: -465.527481
where:
bonds (distance) C4'-P energy: -72.098
bonds (distance) P-C4' energy: -91.284
flat angles C4'-P-C4' energy: -102.134
flat angles P-C4'-P energy: -73.237
tors. eta vs tors. theta energy: -126.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1470.880954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.880954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.880954 (E_RNA)
where:
Base-Base interactions energy: -1016.384
where: short stacking energy: -438.479
Base-Backbone interact. energy: 0.519
local terms energy: -455.015569
where:
bonds (distance) C4'-P energy: -75.175
bonds (distance) P-C4' energy: -86.527
flat angles C4'-P-C4' energy: -105.263
flat angles P-C4'-P energy: -56.056
tors. eta vs tors. theta energy: -131.994
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: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1201.768686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.768686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.768686 (E_RNA)
where:
Base-Base interactions energy: -820.360
where: short stacking energy: -354.285
Base-Backbone interact. energy: 1.963
local terms energy: -383.371289
where:
bonds (distance) C4'-P energy: -83.462
bonds (distance) P-C4' energy: -77.727
flat angles C4'-P-C4' energy: -86.932
flat angles P-C4'-P energy: -49.664
tors. eta vs tors. theta energy: -85.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -988.280201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.280201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.280201 (E_RNA)
where:
Base-Base interactions energy: -662.512
where: short stacking energy: -281.563
Base-Backbone interact. energy: 2.589
local terms energy: -328.357769
where:
bonds (distance) C4'-P energy: -71.796
bonds (distance) P-C4' energy: -77.827
flat angles C4'-P-C4' energy: -70.631
flat angles P-C4'-P energy: -56.186
tors. eta vs tors. theta energy: -51.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -830.212999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.212999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.212999 (E_RNA)
where:
Base-Base interactions energy: -510.272
where: short stacking energy: -234.896
Base-Backbone interact. energy: -2.730
local terms energy: -317.210518
where:
bonds (distance) C4'-P energy: -74.949
bonds (distance) P-C4' energy: -72.698
flat angles C4'-P-C4' energy: -85.553
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -47.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1841.785623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.785623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.785623 (E_RNA)
where:
Base-Base interactions energy: -1313.010
where: short stacking energy: -539.650
Base-Backbone interact. energy: -1.666
local terms energy: -527.108874
where:
bonds (distance) C4'-P energy: -82.010
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -101.710
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -157.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1767.871619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.871619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.871619 (E_RNA)
where:
Base-Base interactions energy: -1249.254
where: short stacking energy: -503.366
Base-Backbone interact. energy: -0.038
local terms energy: -518.579073
where:
bonds (distance) C4'-P energy: -89.977
bonds (distance) P-C4' energy: -100.826
flat angles C4'-P-C4' energy: -107.109
flat angles P-C4'-P energy: -78.077
tors. eta vs tors. theta energy: -142.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1734.852104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.852104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.852104 (E_RNA)
where:
Base-Base interactions energy: -1223.956
where: short stacking energy: -507.386
Base-Backbone interact. energy: 1.681
local terms energy: -512.577198
where:
bonds (distance) C4'-P energy: -88.191
bonds (distance) P-C4' energy: -99.496
flat angles C4'-P-C4' energy: -101.736
flat angles P-C4'-P energy: -77.196
tors. eta vs tors. theta energy: -145.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1671.452748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.452748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.452748 (E_RNA)
where:
Base-Base interactions energy: -1181.651
where: short stacking energy: -504.425
Base-Backbone interact. energy: -0.420
local terms energy: -489.381312
where:
bonds (distance) C4'-P energy: -76.959
bonds (distance) P-C4' energy: -91.622
flat angles C4'-P-C4' energy: -103.537
flat angles P-C4'-P energy: -68.273
tors. eta vs tors. theta energy: -148.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1656.168463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.168463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.168463 (E_RNA)
where:
Base-Base interactions energy: -1152.330
where: short stacking energy: -488.303
Base-Backbone interact. energy: -1.881
local terms energy: -501.957490
where:
bonds (distance) C4'-P energy: -81.732
bonds (distance) P-C4' energy: -96.994
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -145.870
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1553.510058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.510058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.510058 (E_RNA)
where:
Base-Base interactions energy: -1087.906
where: short stacking energy: -433.938
Base-Backbone interact. energy: -2.988
local terms energy: -462.616385
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -78.216
flat angles C4'-P-C4' energy: -97.238
flat angles P-C4'-P energy: -70.236
tors. eta vs tors. theta energy: -123.663
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: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1465.640757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.640757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.640757 (E_RNA)
where:
Base-Base interactions energy: -1023.814
where: short stacking energy: -435.060
Base-Backbone interact. energy: -0.369
local terms energy: -441.458155
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -83.388
flat angles C4'-P-C4' energy: -98.087
flat angles P-C4'-P energy: -47.486
tors. eta vs tors. theta energy: -123.857
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: 225
Temperature: 1.250000
Total energy: -1244.373951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.373951 (E_RNA)
where:
Base-Base interactions energy: -858.627
where: short stacking energy: -363.611
Base-Backbone interact. energy: -2.272
local terms energy: -383.474892
where:
bonds (distance) C4'-P energy: -83.584
bonds (distance) P-C4' energy: -81.050
flat angles C4'-P-C4' energy: -87.735
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -84.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -986.255132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.255132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.255132 (E_RNA)
where:
Base-Base interactions energy: -630.344
where: short stacking energy: -274.234
Base-Backbone interact. energy: -0.659
local terms energy: -355.252373
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -85.069
flat angles C4'-P-C4' energy: -79.743
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -60.672
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: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -921.138630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.138630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.138630 (E_RNA)
where:
Base-Base interactions energy: -598.372
where: short stacking energy: -268.506
Base-Backbone interact. energy: 0.511
local terms energy: -323.277490
where:
bonds (distance) C4'-P energy: -80.092
bonds (distance) P-C4' energy: -77.362
flat angles C4'-P-C4' energy: -67.452
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1849.468487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.468487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.468487 (E_RNA)
where:
Base-Base interactions energy: -1288.239
where: short stacking energy: -539.928
Base-Backbone interact. energy: -2.093
local terms energy: -559.136406
where:
bonds (distance) C4'-P energy: -94.206
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -126.890
flat angles P-C4'-P energy: -79.967
tors. eta vs tors. theta energy: -155.826
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1780.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.848862 (E_RNA)
where:
Base-Base interactions energy: -1275.095
where: short stacking energy: -526.317
Base-Backbone interact. energy: -2.407
local terms energy: -503.346850
where:
bonds (distance) C4'-P energy: -92.650
bonds (distance) P-C4' energy: -85.371
flat angles C4'-P-C4' energy: -102.554
flat angles P-C4'-P energy: -69.589
tors. eta vs tors. theta energy: -153.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1762.591296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.591296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.591296 (E_RNA)
where:
Base-Base interactions energy: -1261.576
where: short stacking energy: -516.860
Base-Backbone interact. energy: 0.659
local terms energy: -501.674108
where:
bonds (distance) C4'-P energy: -96.901
bonds (distance) P-C4' energy: -84.858
flat angles C4'-P-C4' energy: -112.820
flat angles P-C4'-P energy: -69.263
tors. eta vs tors. theta energy: -137.832
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: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1664.328344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.328344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.328344 (E_RNA)
where:
Base-Base interactions energy: -1170.370
where: short stacking energy: -496.419
Base-Backbone interact. energy: -0.990
local terms energy: -492.967905
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -81.693
flat angles C4'-P-C4' energy: -106.149
flat angles P-C4'-P energy: -77.787
tors. eta vs tors. theta energy: -137.717
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: 226
Temperature: 1.100000
Total energy: -1623.846547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.846547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.846547 (E_RNA)
where:
Base-Base interactions energy: -1160.779
where: short stacking energy: -485.225
Base-Backbone interact. energy: -2.000
local terms energy: -461.066811
where:
bonds (distance) C4'-P energy: -89.388
bonds (distance) P-C4' energy: -71.019
flat angles C4'-P-C4' energy: -94.797
flat angles P-C4'-P energy: -64.786
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: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1517.694673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.694673 (E_RNA)
where:
Base-Base interactions energy: -1051.408
where: short stacking energy: -443.811
Base-Backbone interact. energy: -0.625
local terms energy: -465.661367
where:
bonds (distance) C4'-P energy: -82.849
bonds (distance) P-C4' energy: -90.886
flat angles C4'-P-C4' energy: -103.890
flat angles P-C4'-P energy: -63.137
tors. eta vs tors. theta energy: -124.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1419.567811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.567811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.567811 (E_RNA)
where:
Base-Base interactions energy: -996.625
where: short stacking energy: -418.718
Base-Backbone interact. energy: 4.763
local terms energy: -427.706276
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -73.003
flat angles C4'-P-C4' energy: -96.005
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -119.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1282.539318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.539318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.539318 (E_RNA)
where:
Base-Base interactions energy: -861.221
where: short stacking energy: -372.047
Base-Backbone interact. energy: -2.434
local terms energy: -418.884514
where:
bonds (distance) C4'-P energy: -76.881
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -107.721
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -99.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -910.233121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.233121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.233121 (E_RNA)
where:
Base-Base interactions energy: -560.231
where: short stacking energy: -249.379
Base-Backbone interact. energy: -2.931
local terms energy: -347.070975
where:
bonds (distance) C4'-P energy: -94.868
bonds (distance) P-C4' energy: -76.065
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -56.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -902.819524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.819524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.819524 (E_RNA)
where:
Base-Base interactions energy: -555.183
where: short stacking energy: -235.923
Base-Backbone interact. energy: 6.126
local terms energy: -353.762642
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -89.861
flat angles C4'-P-C4' energy: -81.651
flat angles P-C4'-P energy: -40.473
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1827.460842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.460842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.460842 (E_RNA)
where:
Base-Base interactions energy: -1300.981
where: short stacking energy: -545.879
Base-Backbone interact. energy: -3.012
local terms energy: -523.466871
where:
bonds (distance) C4'-P energy: -94.279
bonds (distance) P-C4' energy: -92.403
flat angles C4'-P-C4' energy: -107.473
flat angles P-C4'-P energy: -71.236
tors. eta vs tors. theta energy: -158.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1793.424453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.424453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.424453 (E_RNA)
where:
Base-Base interactions energy: -1254.961
where: short stacking energy: -521.503
Base-Backbone interact. energy: -2.810
local terms energy: -535.653339
where:
bonds (distance) C4'-P energy: -95.944
bonds (distance) P-C4' energy: -96.558
flat angles C4'-P-C4' energy: -119.929
flat angles P-C4'-P energy: -74.464
tors. eta vs tors. theta energy: -148.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1740.744515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.744515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.744515 (E_RNA)
where:
Base-Base interactions energy: -1249.218
where: short stacking energy: -518.318
Base-Backbone interact. energy: -1.511
local terms energy: -490.015963
where:
bonds (distance) C4'-P energy: -79.414
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -110.493
flat angles P-C4'-P energy: -70.889
tors. eta vs tors. theta energy: -138.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1669.505142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.505142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.505142 (E_RNA)
where:
Base-Base interactions energy: -1181.008
where: short stacking energy: -492.998
Base-Backbone interact. energy: -1.635
local terms energy: -486.862296
where:
bonds (distance) C4'-P energy: -88.330
bonds (distance) P-C4' energy: -77.287
flat angles C4'-P-C4' energy: -95.146
flat angles P-C4'-P energy: -82.951
tors. eta vs tors. theta energy: -143.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1615.627695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.627695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.627695 (E_RNA)
where:
Base-Base interactions energy: -1131.430
where: short stacking energy: -448.242
Base-Backbone interact. energy: -1.190
local terms energy: -483.007374
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -89.148
flat angles C4'-P-C4' energy: -103.002
flat angles P-C4'-P energy: -65.194
tors. eta vs tors. theta energy: -130.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1486.700442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.700442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.700442 (E_RNA)
where:
Base-Base interactions energy: -1057.134
where: short stacking energy: -440.073
Base-Backbone interact. energy: -0.188
local terms energy: -429.377632
where:
bonds (distance) C4'-P energy: -83.915
bonds (distance) P-C4' energy: -71.801
flat angles C4'-P-C4' energy: -98.778
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: -118.776
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: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1488.792536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.792536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.792536 (E_RNA)
where:
Base-Base interactions energy: -1048.575
where: short stacking energy: -433.980
Base-Backbone interact. energy: 0.449
local terms energy: -440.666588
where:
bonds (distance) C4'-P energy: -74.037
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -101.673
flat angles P-C4'-P energy: -54.896
tors. eta vs tors. theta energy: -123.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1216.457971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.457971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.457971 (E_RNA)
where:
Base-Base interactions energy: -843.139
where: short stacking energy: -345.170
Base-Backbone interact. energy: -0.753
local terms energy: -372.565893
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -85.696
flat angles C4'-P-C4' energy: -82.515
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -79.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1028.909408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.909408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.909408 (E_RNA)
where:
Base-Base interactions energy: -671.094
where: short stacking energy: -291.042
Base-Backbone interact. energy: -1.964
local terms energy: -355.851431
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -93.924
flat angles C4'-P-C4' energy: -75.146
flat angles P-C4'-P energy: -50.623
tors. eta vs tors. theta energy: -64.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -864.864624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.864624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.864624 (E_RNA)
where:
Base-Base interactions energy: -565.503
where: short stacking energy: -248.570
Base-Backbone interact. energy: -1.717
local terms energy: -297.644166
where:
bonds (distance) C4'-P energy: -75.973
bonds (distance) P-C4' energy: -60.009
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -34.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1847.100425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.100425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.100425 (E_RNA)
where:
Base-Base interactions energy: -1288.244
where: short stacking energy: -536.601
Base-Backbone interact. energy: -1.764
local terms energy: -557.092965
where:
bonds (distance) C4'-P energy: -102.959
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -113.956
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -154.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1798.527908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.527908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.527908 (E_RNA)
where:
Base-Base interactions energy: -1258.682
where: short stacking energy: -541.059
Base-Backbone interact. energy: -1.615
local terms energy: -538.231480
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -94.492
flat angles C4'-P-C4' energy: -115.054
flat angles P-C4'-P energy: -81.441
tors. eta vs tors. theta energy: -161.208
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: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1726.608166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.608166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.608166 (E_RNA)
where:
Base-Base interactions energy: -1228.682
where: short stacking energy: -502.866
Base-Backbone interact. energy: 1.425
local terms energy: -499.351192
where:
bonds (distance) C4'-P energy: -85.992
bonds (distance) P-C4' energy: -87.414
flat angles C4'-P-C4' energy: -111.830
flat angles P-C4'-P energy: -70.504
tors. eta vs tors. theta energy: -143.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1702.231026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.231026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.231026 (E_RNA)
where:
Base-Base interactions energy: -1214.243
where: short stacking energy: -485.152
Base-Backbone interact. energy: -1.793
local terms energy: -486.195309
where:
bonds (distance) C4'-P energy: -79.155
bonds (distance) P-C4' energy: -94.870
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -66.147
tors. eta vs tors. theta energy: -135.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1627.933113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.933113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.933113 (E_RNA)
where:
Base-Base interactions energy: -1150.117
where: short stacking energy: -457.366
Base-Backbone interact. energy: -0.182
local terms energy: -477.634224
where:
bonds (distance) C4'-P energy: -87.499
bonds (distance) P-C4' energy: -84.892
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -129.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1509.305158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.305158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.305158 (E_RNA)
where:
Base-Base interactions energy: -1047.701
where: short stacking energy: -446.307
Base-Backbone interact. energy: -1.446
local terms energy: -460.158456
where:
bonds (distance) C4'-P energy: -78.143
bonds (distance) P-C4' energy: -91.977
flat angles C4'-P-C4' energy: -106.776
flat angles P-C4'-P energy: -63.762
tors. eta vs tors. theta energy: -119.500
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: 228
Temperature: 1.200000
Total energy: -1533.693657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.693657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.693657 (E_RNA)
where:
Base-Base interactions energy: -1078.041
where: short stacking energy: -447.913
Base-Backbone interact. energy: -2.162
local terms energy: -453.490435
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -84.010
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -64.672
tors. eta vs tors. theta energy: -123.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1212.275035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.275035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.275035 (E_RNA)
where:
Base-Base interactions energy: -829.741
where: short stacking energy: -360.893
Base-Backbone interact. energy: 2.280
local terms energy: -384.814072
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -83.315
flat angles C4'-P-C4' energy: -85.310
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -95.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1009.461156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.461156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.461156 (E_RNA)
where:
Base-Base interactions energy: -666.035
where: short stacking energy: -268.678
Base-Backbone interact. energy: -4.621
local terms energy: -338.804530
where:
bonds (distance) C4'-P energy: -69.813
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -57.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -860.000070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.000070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.000070 (E_RNA)
where:
Base-Base interactions energy: -535.236
where: short stacking energy: -245.980
Base-Backbone interact. energy: -0.312
local terms energy: -324.452207
where:
bonds (distance) C4'-P energy: -72.298
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -87.407
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -52.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1829.493003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.493003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.493003 (E_RNA)
where:
Base-Base interactions energy: -1292.966
where: short stacking energy: -538.284
Base-Backbone interact. energy: -4.012
local terms energy: -532.515096
where:
bonds (distance) C4'-P energy: -97.431
bonds (distance) P-C4' energy: -100.914
flat angles C4'-P-C4' energy: -113.143
flat angles P-C4'-P energy: -71.388
tors. eta vs tors. theta energy: -149.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1807.140750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.140750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.140750 (E_RNA)
where:
Base-Base interactions energy: -1270.934
where: short stacking energy: -535.263
Base-Backbone interact. energy: -2.070
local terms energy: -534.136862
where:
bonds (distance) C4'-P energy: -92.747
bonds (distance) P-C4' energy: -91.314
flat angles C4'-P-C4' energy: -115.047
flat angles P-C4'-P energy: -77.142
tors. eta vs tors. theta energy: -157.886
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1739.692713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.692713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.692713 (E_RNA)
where:
Base-Base interactions energy: -1222.051
where: short stacking energy: -499.209
Base-Backbone interact. energy: -2.786
local terms energy: -514.856052
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -93.135
flat angles C4'-P-C4' energy: -117.476
flat angles P-C4'-P energy: -87.464
tors. eta vs tors. theta energy: -137.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1709.812558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.812558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.812558 (E_RNA)
where:
Base-Base interactions energy: -1214.215
where: short stacking energy: -517.133
Base-Backbone interact. energy: -0.146
local terms energy: -495.451386
where:
bonds (distance) C4'-P energy: -89.873
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -104.984
flat angles P-C4'-P energy: -73.313
tors. eta vs tors. theta energy: -141.345
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: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1635.433884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.433884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.433884 (E_RNA)
where:
Base-Base interactions energy: -1147.434
where: short stacking energy: -461.948
Base-Backbone interact. energy: -2.468
local terms energy: -485.532078
where:
bonds (distance) C4'-P energy: -87.429
bonds (distance) P-C4' energy: -90.636
flat angles C4'-P-C4' energy: -97.636
flat angles P-C4'-P energy: -71.784
tors. eta vs tors. theta energy: -138.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1559.977966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.977966 (E_RNA)
where:
Base-Base interactions energy: -1110.049
where: short stacking energy: -452.475
Base-Backbone interact. energy: 0.259
local terms energy: -450.188312
where:
bonds (distance) C4'-P energy: -81.777
bonds (distance) P-C4' energy: -81.357
flat angles C4'-P-C4' energy: -96.152
flat angles P-C4'-P energy: -65.422
tors. eta vs tors. theta energy: -125.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1406.234361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.234361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.234361 (E_RNA)
where:
Base-Base interactions energy: -990.699
where: short stacking energy: -411.965
Base-Backbone interact. energy: -1.243
local terms energy: -414.292122
where:
bonds (distance) C4'-P energy: -80.357
bonds (distance) P-C4' energy: -67.938
flat angles C4'-P-C4' energy: -92.495
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: -110.140
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: 229
Temperature: 1.250000
Total energy: -1234.507832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.507832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.507832 (E_RNA)
where:
Base-Base interactions energy: -853.288
where: short stacking energy: -353.021
Base-Backbone interact. energy: -1.886
local terms energy: -379.334259
where:
bonds (distance) C4'-P energy: -68.965
bonds (distance) P-C4' energy: -71.992
flat angles C4'-P-C4' energy: -88.082
flat angles P-C4'-P energy: -67.777
tors. eta vs tors. theta energy: -82.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -956.737837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.737837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.737837 (E_RNA)
where:
Base-Base interactions energy: -635.167
where: short stacking energy: -293.416
Base-Backbone interact. energy: -0.018
local terms energy: -321.552555
where:
bonds (distance) C4'-P energy: -79.850
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -77.196
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -54.855
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: 229
Temperature: 1.350000
Total energy: -844.009539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.009539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.009539 (E_RNA)
where:
Base-Base interactions energy: -516.918
where: short stacking energy: -225.591
Base-Backbone interact. energy: 0.379
local terms energy: -327.469958
where:
bonds (distance) C4'-P energy: -78.833
bonds (distance) P-C4' energy: -85.633
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -60.371
tors. eta vs tors. theta energy: -31.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1835.908990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.908990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.908990 (E_RNA)
where:
Base-Base interactions energy: -1298.060
where: short stacking energy: -536.172
Base-Backbone interact. energy: -1.899
local terms energy: -535.950480
where:
bonds (distance) C4'-P energy: -94.867
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -110.596
flat angles P-C4'-P energy: -81.315
tors. eta vs tors. theta energy: -152.805
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: 230
Temperature: 0.950000
Total energy: -1796.817570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.817570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.817570 (E_RNA)
where:
Base-Base interactions energy: -1259.738
where: short stacking energy: -513.003
Base-Backbone interact. energy: -1.428
local terms energy: -535.651220
where:
bonds (distance) C4'-P energy: -85.850
bonds (distance) P-C4' energy: -104.365
flat angles C4'-P-C4' energy: -111.491
flat angles P-C4'-P energy: -81.250
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: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1762.456067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.456067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.456067 (E_RNA)
where:
Base-Base interactions energy: -1249.000
where: short stacking energy: -508.051
Base-Backbone interact. energy: -1.475
local terms energy: -511.981245
where:
bonds (distance) C4'-P energy: -84.154
bonds (distance) P-C4' energy: -96.475
flat angles C4'-P-C4' energy: -108.928
flat angles P-C4'-P energy: -80.238
tors. eta vs tors. theta energy: -142.187
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: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1692.799084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.799084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.799084 (E_RNA)
where:
Base-Base interactions energy: -1205.227
where: short stacking energy: -490.378
Base-Backbone interact. energy: -1.479
local terms energy: -486.092850
where:
bonds (distance) C4'-P energy: -95.133
bonds (distance) P-C4' energy: -78.846
flat angles C4'-P-C4' energy: -99.409
flat angles P-C4'-P energy: -67.586
tors. eta vs tors. theta energy: -145.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1651.180827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.180827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.180827 (E_RNA)
where:
Base-Base interactions energy: -1160.337
where: short stacking energy: -470.083
Base-Backbone interact. energy: -1.079
local terms energy: -489.765126
where:
bonds (distance) C4'-P energy: -89.750
bonds (distance) P-C4' energy: -92.845
flat angles C4'-P-C4' energy: -98.012
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -135.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1566.469411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.469411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.469411 (E_RNA)
where:
Base-Base interactions energy: -1099.262
where: short stacking energy: -474.856
Base-Backbone interact. energy: -0.558
local terms energy: -466.649372
where:
bonds (distance) C4'-P energy: -63.912
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -102.306
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -135.340
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: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1457.020990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.020990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.020990 (E_RNA)
where:
Base-Base interactions energy: -1018.952
where: short stacking energy: -424.157
Base-Backbone interact. energy: -0.746
local terms energy: -437.323215
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -87.154
flat angles C4'-P-C4' energy: -93.676
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -123.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1241.139804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.139804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.139804 (E_RNA)
where:
Base-Base interactions energy: -855.147
where: short stacking energy: -350.976
Base-Backbone interact. energy: -1.563
local terms energy: -384.429800
where:
bonds (distance) C4'-P energy: -68.833
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -82.383
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -90.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -928.228180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.228180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.228180 (E_RNA)
where:
Base-Base interactions energy: -598.244
where: short stacking energy: -258.904
Base-Backbone interact. energy: 0.403
local terms energy: -330.387615
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -88.010
flat angles C4'-P-C4' energy: -95.714
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -43.084
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: 230
Temperature: 1.350000
Total energy: -905.888950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.888950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.888950 (E_RNA)
where:
Base-Base interactions energy: -582.557
where: short stacking energy: -265.870
Base-Backbone interact. energy: 6.554
local terms energy: -329.885773
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -83.063
flat angles C4'-P-C4' energy: -64.761
flat angles P-C4'-P energy: -51.476
tors. eta vs tors. theta energy: -42.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1847.456290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.456290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.456290 (E_RNA)
where:
Base-Base interactions energy: -1310.090
where: short stacking energy: -546.576
Base-Backbone interact. energy: -0.976
local terms energy: -536.390654
where:
bonds (distance) C4'-P energy: -94.074
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -111.284
flat angles P-C4'-P energy: -79.291
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1797.396529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.396529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.396529 (E_RNA)
where:
Base-Base interactions energy: -1255.990
where: short stacking energy: -536.473
Base-Backbone interact. energy: -2.306
local terms energy: -539.100372
where:
bonds (distance) C4'-P energy: -90.248
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -121.464
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -157.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1766.350685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.350685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.350685 (E_RNA)
where:
Base-Base interactions energy: -1248.552
where: short stacking energy: -515.069
Base-Backbone interact. energy: -3.527
local terms energy: -514.271705
where:
bonds (distance) C4'-P energy: -88.801
bonds (distance) P-C4' energy: -91.783
flat angles C4'-P-C4' energy: -109.310
flat angles P-C4'-P energy: -73.420
tors. eta vs tors. theta energy: -150.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1701.653476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.653476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.653476 (E_RNA)
where:
Base-Base interactions energy: -1211.989
where: short stacking energy: -496.815
Base-Backbone interact. energy: -2.297
local terms energy: -487.367891
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -105.617
flat angles P-C4'-P energy: -76.277
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: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1631.058950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.058950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.058950 (E_RNA)
where:
Base-Base interactions energy: -1154.140
where: short stacking energy: -497.269
Base-Backbone interact. energy: -1.392
local terms energy: -475.527125
where:
bonds (distance) C4'-P energy: -94.782
bonds (distance) P-C4' energy: -75.816
flat angles C4'-P-C4' energy: -106.385
flat angles P-C4'-P energy: -66.649
tors. eta vs tors. theta energy: -131.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1519.924284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.924284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.924284 (E_RNA)
where:
Base-Base interactions energy: -1043.899
where: short stacking energy: -440.208
Base-Backbone interact. energy: -1.145
local terms energy: -474.880534
where:
bonds (distance) C4'-P energy: -89.178
bonds (distance) P-C4' energy: -91.178
flat angles C4'-P-C4' energy: -92.992
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -129.718
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1442.703553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.703553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.703553 (E_RNA)
where:
Base-Base interactions energy: -989.883
where: short stacking energy: -417.831
Base-Backbone interact. energy: -1.811
local terms energy: -451.010121
where:
bonds (distance) C4'-P energy: -76.413
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -93.219
flat angles P-C4'-P energy: -77.522
tors. eta vs tors. theta energy: -119.082
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: 231
Temperature: 1.250000
Total energy: -1241.772856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.772856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.772856 (E_RNA)
where:
Base-Base interactions energy: -861.522
where: short stacking energy: -367.143
Base-Backbone interact. energy: -2.297
local terms energy: -377.954039
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -65.219
flat angles C4'-P-C4' energy: -87.441
flat angles P-C4'-P energy: -62.511
tors. eta vs tors. theta energy: -89.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -923.634696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.634696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.634696 (E_RNA)
where:
Base-Base interactions energy: -589.680
where: short stacking energy: -246.999
Base-Backbone interact. energy: 2.197
local terms energy: -336.152387
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -79.779
flat angles C4'-P-C4' energy: -86.483
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -876.435181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.435181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.435181 (E_RNA)
where:
Base-Base interactions energy: -564.780
where: short stacking energy: -259.204
Base-Backbone interact. energy: 6.466
local terms energy: -318.121036
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -81.777
flat angles C4'-P-C4' energy: -72.405
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -52.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1826.149803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.149803 (E_RNA)
where:
Base-Base interactions energy: -1268.463
where: short stacking energy: -539.108
Base-Backbone interact. energy: -3.351
local terms energy: -554.335135
where:
bonds (distance) C4'-P energy: -104.512
bonds (distance) P-C4' energy: -93.989
flat angles C4'-P-C4' energy: -118.115
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -154.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1784.355549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.355549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.355549 (E_RNA)
where:
Base-Base interactions energy: -1255.532
where: short stacking energy: -530.968
Base-Backbone interact. energy: -3.290
local terms energy: -525.533339
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -88.055
flat angles C4'-P-C4' energy: -111.796
flat angles P-C4'-P energy: -76.991
tors. eta vs tors. theta energy: -159.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1767.484700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.484700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.484700 (E_RNA)
where:
Base-Base interactions energy: -1261.910
where: short stacking energy: -519.132
Base-Backbone interact. energy: -3.894
local terms energy: -501.680813
where:
bonds (distance) C4'-P energy: -77.034
bonds (distance) P-C4' energy: -101.167
flat angles C4'-P-C4' energy: -108.035
flat angles P-C4'-P energy: -77.690
tors. eta vs tors. theta energy: -137.755
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: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1709.219022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.219022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.219022 (E_RNA)
where:
Base-Base interactions energy: -1200.477
where: short stacking energy: -514.444
Base-Backbone interact. energy: 0.990
local terms energy: -509.732167
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -97.937
flat angles C4'-P-C4' energy: -111.027
flat angles P-C4'-P energy: -68.611
tors. eta vs tors. theta energy: -146.977
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1598.871080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.871080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.871080 (E_RNA)
where:
Base-Base interactions energy: -1120.623
where: short stacking energy: -457.759
Base-Backbone interact. energy: 0.098
local terms energy: -478.346016
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -93.614
flat angles C4'-P-C4' energy: -100.482
flat angles P-C4'-P energy: -70.131
tors. eta vs tors. theta energy: -132.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1522.835571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.835571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.835571 (E_RNA)
where:
Base-Base interactions energy: -1067.232
where: short stacking energy: -434.372
Base-Backbone interact. energy: 1.436
local terms energy: -457.038866
where:
bonds (distance) C4'-P energy: -82.001
bonds (distance) P-C4' energy: -78.646
flat angles C4'-P-C4' energy: -100.204
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -117.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1383.994541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.994541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.994541 (E_RNA)
where:
Base-Base interactions energy: -973.521
where: short stacking energy: -406.389
Base-Backbone interact. energy: 0.312
local terms energy: -410.784990
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -75.443
flat angles C4'-P-C4' energy: -91.555
flat angles P-C4'-P energy: -56.028
tors. eta vs tors. theta energy: -101.535
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: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1221.462813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.462813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.462813 (E_RNA)
where:
Base-Base interactions energy: -837.802
where: short stacking energy: -348.974
Base-Backbone interact. energy: -2.282
local terms energy: -381.378904
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -83.131
flat angles C4'-P-C4' energy: -79.506
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -84.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -928.280723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.280723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.280723 (E_RNA)
where:
Base-Base interactions energy: -603.697
where: short stacking energy: -269.279
Base-Backbone interact. energy: -2.660
local terms energy: -321.924130
where:
bonds (distance) C4'-P energy: -70.951
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -85.185
flat angles P-C4'-P energy: -59.736
tors. eta vs tors. theta energy: -44.575
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: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -843.695472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.695472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.695472 (E_RNA)
where:
Base-Base interactions energy: -529.613
where: short stacking energy: -247.320
Base-Backbone interact. energy: 2.685
local terms energy: -316.767356
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -91.657
flat angles C4'-P-C4' energy: -71.016
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -48.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1842.612411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.612411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.612411 (E_RNA)
where:
Base-Base interactions energy: -1309.659
where: short stacking energy: -541.327
Base-Backbone interact. energy: -0.600
local terms energy: -532.353122
where:
bonds (distance) C4'-P energy: -92.821
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -109.596
flat angles P-C4'-P energy: -81.159
tors. eta vs tors. theta energy: -146.139
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: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1808.961956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.961956 (E_RNA)
where:
Base-Base interactions energy: -1279.582
where: short stacking energy: -525.829
Base-Backbone interact. energy: -4.474
local terms energy: -524.906803
where:
bonds (distance) C4'-P energy: -86.168
bonds (distance) P-C4' energy: -102.549
flat angles C4'-P-C4' energy: -101.345
flat angles P-C4'-P energy: -77.863
tors. eta vs tors. theta energy: -156.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1750.553098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.553098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.553098 (E_RNA)
where:
Base-Base interactions energy: -1238.579
where: short stacking energy: -517.011
Base-Backbone interact. energy: -1.990
local terms energy: -509.983976
where:
bonds (distance) C4'-P energy: -98.995
bonds (distance) P-C4' energy: -90.766
flat angles C4'-P-C4' energy: -101.509
flat angles P-C4'-P energy: -67.560
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: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1695.642845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.642845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.642845 (E_RNA)
where:
Base-Base interactions energy: -1199.321
where: short stacking energy: -499.049
Base-Backbone interact. energy: -1.303
local terms energy: -495.018604
where:
bonds (distance) C4'-P energy: -80.816
bonds (distance) P-C4' energy: -95.782
flat angles C4'-P-C4' energy: -108.942
flat angles P-C4'-P energy: -65.627
tors. eta vs tors. theta energy: -143.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1607.430673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.430673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.430673 (E_RNA)
where:
Base-Base interactions energy: -1117.767
where: short stacking energy: -451.641
Base-Backbone interact. energy: -1.858
local terms energy: -487.805134
where:
bonds (distance) C4'-P energy: -95.786
bonds (distance) P-C4' energy: -90.052
flat angles C4'-P-C4' energy: -107.382
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -129.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1508.271379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.271379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.271379 (E_RNA)
where:
Base-Base interactions energy: -1065.575
where: short stacking energy: -408.004
Base-Backbone interact. energy: -2.050
local terms energy: -440.646957
where:
bonds (distance) C4'-P energy: -77.043
bonds (distance) P-C4' energy: -84.540
flat angles C4'-P-C4' energy: -98.464
flat angles P-C4'-P energy: -64.040
tors. eta vs tors. theta energy: -116.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1447.033950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.033950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.033950 (E_RNA)
where:
Base-Base interactions energy: -1023.977
where: short stacking energy: -434.563
Base-Backbone interact. energy: 1.876
local terms energy: -424.932776
where:
bonds (distance) C4'-P energy: -85.022
bonds (distance) P-C4' energy: -76.884
flat angles C4'-P-C4' energy: -88.332
flat angles P-C4'-P energy: -60.806
tors. eta vs tors. theta energy: -113.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1200.650124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.650124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.650124 (E_RNA)
where:
Base-Base interactions energy: -845.872
where: short stacking energy: -345.266
Base-Backbone interact. energy: 0.239
local terms energy: -355.017164
where:
bonds (distance) C4'-P energy: -69.827
bonds (distance) P-C4' energy: -74.379
flat angles C4'-P-C4' energy: -84.658
flat angles P-C4'-P energy: -55.992
tors. eta vs tors. theta energy: -70.161
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: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -910.052768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.052768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.052768 (E_RNA)
where:
Base-Base interactions energy: -588.347
where: short stacking energy: -272.488
Base-Backbone interact. energy: 4.973
local terms energy: -326.678668
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -70.105
flat angles C4'-P-C4' energy: -82.170
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -44.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -759.585927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.585927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.585927 (E_RNA)
where:
Base-Base interactions energy: -463.432
where: short stacking energy: -220.331
Base-Backbone interact. energy: 7.788
local terms energy: -303.941948
where:
bonds (distance) C4'-P energy: -79.184
bonds (distance) P-C4' energy: -91.294
flat angles C4'-P-C4' energy: -69.274
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1852.439476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.439476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.439476 (E_RNA)
where:
Base-Base interactions energy: -1303.090
where: short stacking energy: -504.693
Base-Backbone interact. energy: -3.316
local terms energy: -546.033767
where:
bonds (distance) C4'-P energy: -94.822
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -110.432
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -154.394
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: 234
Temperature: 0.950000
Total energy: -1814.554239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.554239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.554239 (E_RNA)
where:
Base-Base interactions energy: -1271.702
where: short stacking energy: -529.357
Base-Backbone interact. energy: -1.742
local terms energy: -541.110176
where:
bonds (distance) C4'-P energy: -86.905
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -114.181
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -156.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1754.855168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.855168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.855168 (E_RNA)
where:
Base-Base interactions energy: -1247.528
where: short stacking energy: -490.128
Base-Backbone interact. energy: -0.221
local terms energy: -507.106255
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -87.733
flat angles C4'-P-C4' energy: -117.971
flat angles P-C4'-P energy: -79.268
tors. eta vs tors. theta energy: -142.604
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: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1686.536583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.536583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.536583 (E_RNA)
where:
Base-Base interactions energy: -1194.399
where: short stacking energy: -486.689
Base-Backbone interact. energy: -0.768
local terms energy: -491.369787
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -92.283
flat angles C4'-P-C4' energy: -96.562
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: -138.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1610.096726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.096726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.096726 (E_RNA)
where:
Base-Base interactions energy: -1153.830
where: short stacking energy: -441.618
Base-Backbone interact. energy: 1.212
local terms energy: -457.478717
where:
bonds (distance) C4'-P energy: -90.466
bonds (distance) P-C4' energy: -93.542
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -123.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1535.556628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.556628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.556628 (E_RNA)
where:
Base-Base interactions energy: -1077.902
where: short stacking energy: -458.104
Base-Backbone interact. energy: -0.370
local terms energy: -457.284581
where:
bonds (distance) C4'-P energy: -96.640
bonds (distance) P-C4' energy: -82.304
flat angles C4'-P-C4' energy: -92.234
flat angles P-C4'-P energy: -61.315
tors. eta vs tors. theta energy: -124.791
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: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1410.309486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.309486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.309486 (E_RNA)
where:
Base-Base interactions energy: -964.995
where: short stacking energy: -398.946
Base-Backbone interact. energy: -4.403
local terms energy: -440.911735
where:
bonds (distance) C4'-P energy: -89.001
bonds (distance) P-C4' energy: -71.836
flat angles C4'-P-C4' energy: -99.137
flat angles P-C4'-P energy: -65.145
tors. eta vs tors. theta energy: -115.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1185.535471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.535471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.535471 (E_RNA)
where:
Base-Base interactions energy: -830.233
where: short stacking energy: -357.166
Base-Backbone interact. energy: -1.650
local terms energy: -353.651796
where:
bonds (distance) C4'-P energy: -61.703
bonds (distance) P-C4' energy: -85.212
flat angles C4'-P-C4' energy: -94.390
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -76.891
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: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -905.829738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.829738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.829738 (E_RNA)
where:
Base-Base interactions energy: -575.659
where: short stacking energy: -250.892
Base-Backbone interact. energy: -1.931
local terms energy: -328.239789
where:
bonds (distance) C4'-P energy: -84.597
bonds (distance) P-C4' energy: -72.671
flat angles C4'-P-C4' energy: -75.741
flat angles P-C4'-P energy: -48.585
tors. eta vs tors. theta energy: -46.646
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: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -783.531332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.531332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.531332 (E_RNA)
where:
Base-Base interactions energy: -490.384
where: short stacking energy: -221.631
Base-Backbone interact. energy: -1.838
local terms energy: -291.309270
where:
bonds (distance) C4'-P energy: -77.435
bonds (distance) P-C4' energy: -80.545
flat angles C4'-P-C4' energy: -69.000
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -23.344
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1865.107893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.107893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.107893 (E_RNA)
where:
Base-Base interactions energy: -1321.549
where: short stacking energy: -548.678
Base-Backbone interact. energy: 2.009
local terms energy: -545.568115
where:
bonds (distance) C4'-P energy: -81.926
bonds (distance) P-C4' energy: -102.307
flat angles C4'-P-C4' energy: -122.989
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -154.567
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: 235
Temperature: 0.950000
Total energy: -1800.072106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.072106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.072106 (E_RNA)
where:
Base-Base interactions energy: -1266.087
where: short stacking energy: -507.268
Base-Backbone interact. energy: -0.947
local terms energy: -533.037992
where:
bonds (distance) C4'-P energy: -99.503
bonds (distance) P-C4' energy: -97.757
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -74.418
tors. eta vs tors. theta energy: -146.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1764.662457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.662457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.662457 (E_RNA)
where:
Base-Base interactions energy: -1248.643
where: short stacking energy: -524.139
Base-Backbone interact. energy: -1.033
local terms energy: -514.985846
where:
bonds (distance) C4'-P energy: -81.990
bonds (distance) P-C4' energy: -92.137
flat angles C4'-P-C4' energy: -112.889
flat angles P-C4'-P energy: -84.327
tors. eta vs tors. theta energy: -143.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1675.815038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.815038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.815038 (E_RNA)
where:
Base-Base interactions energy: -1182.239
where: short stacking energy: -500.422
Base-Backbone interact. energy: 0.158
local terms energy: -493.733809
where:
bonds (distance) C4'-P energy: -90.239
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -105.737
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -131.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1614.647109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.647109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.647109 (E_RNA)
where:
Base-Base interactions energy: -1123.509
where: short stacking energy: -486.428
Base-Backbone interact. energy: 0.078
local terms energy: -491.215737
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -141.612
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1597.135371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.135371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.135371 (E_RNA)
where:
Base-Base interactions energy: -1109.838
where: short stacking energy: -471.169
Base-Backbone interact. energy: -1.546
local terms energy: -485.752014
where:
bonds (distance) C4'-P energy: -89.366
bonds (distance) P-C4' energy: -81.934
flat angles C4'-P-C4' energy: -106.641
flat angles P-C4'-P energy: -69.307
tors. eta vs tors. theta energy: -138.503
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: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1418.020741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.020741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.020741 (E_RNA)
where:
Base-Base interactions energy: -993.309
where: short stacking energy: -409.777
Base-Backbone interact. energy: 0.322
local terms energy: -425.033747
where:
bonds (distance) C4'-P energy: -78.543
bonds (distance) P-C4' energy: -84.563
flat angles C4'-P-C4' energy: -95.715
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -114.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1223.771986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.771986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.771986 (E_RNA)
where:
Base-Base interactions energy: -832.481
where: short stacking energy: -339.207
Base-Backbone interact. energy: -1.491
local terms energy: -389.800201
where:
bonds (distance) C4'-P energy: -85.063
bonds (distance) P-C4' energy: -87.751
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -66.989
tors. eta vs tors. theta energy: -67.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -946.183013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.183013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.183013 (E_RNA)
where:
Base-Base interactions energy: -602.923
where: short stacking energy: -283.113
Base-Backbone interact. energy: -4.405
local terms energy: -338.855254
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -78.519
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -51.692
tors. eta vs tors. theta energy: -49.066
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: 2
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -772.146028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.146028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.146028 (E_RNA)
where:
Base-Base interactions energy: -471.183
where: short stacking energy: -226.921
Base-Backbone interact. energy: -1.773
local terms energy: -299.190209
where:
bonds (distance) C4'-P energy: -81.053
bonds (distance) P-C4' energy: -81.633
flat angles C4'-P-C4' energy: -76.148
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1851.666033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.666033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.666033 (E_RNA)
where:
Base-Base interactions energy: -1311.171
where: short stacking energy: -531.399
Base-Backbone interact. energy: -1.819
local terms energy: -538.676431
where:
bonds (distance) C4'-P energy: -90.875
bonds (distance) P-C4' energy: -107.742
flat angles C4'-P-C4' energy: -114.460
flat angles P-C4'-P energy: -75.541
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1786.433430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.433430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.433430 (E_RNA)
where:
Base-Base interactions energy: -1271.843
where: short stacking energy: -527.307
Base-Backbone interact. energy: -1.062
local terms energy: -513.528039
where:
bonds (distance) C4'-P energy: -95.820
bonds (distance) P-C4' energy: -84.316
flat angles C4'-P-C4' energy: -114.629
flat angles P-C4'-P energy: -72.931
tors. eta vs tors. theta energy: -145.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1739.465452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.465452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.465452 (E_RNA)
where:
Base-Base interactions energy: -1226.859
where: short stacking energy: -517.398
Base-Backbone interact. energy: 0.519
local terms energy: -513.125834
where:
bonds (distance) C4'-P energy: -91.685
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -70.930
tors. eta vs tors. theta energy: -145.322
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: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1665.118166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.118166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.118166 (E_RNA)
where:
Base-Base interactions energy: -1177.788
where: short stacking energy: -480.492
Base-Backbone interact. energy: 0.776
local terms energy: -488.105937
where:
bonds (distance) C4'-P energy: -84.901
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -104.366
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -129.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1609.077028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.077028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.077028 (E_RNA)
where:
Base-Base interactions energy: -1133.145
where: short stacking energy: -481.957
Base-Backbone interact. energy: 0.549
local terms energy: -476.481329
where:
bonds (distance) C4'-P energy: -87.782
bonds (distance) P-C4' energy: -81.153
flat angles C4'-P-C4' energy: -106.437
flat angles P-C4'-P energy: -72.018
tors. eta vs tors. theta energy: -129.092
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: 236
Temperature: 1.150000
Total energy: -1580.221351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.221351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.221351 (E_RNA)
where:
Base-Base interactions energy: -1156.659
where: short stacking energy: -468.834
Base-Backbone interact. energy: -0.878
local terms energy: -422.684152
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -107.111
flat angles P-C4'-P energy: -71.130
tors. eta vs tors. theta energy: -122.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1443.598908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.598908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.598908 (E_RNA)
where:
Base-Base interactions energy: -1001.077
where: short stacking energy: -390.558
Base-Backbone interact. energy: 0.021
local terms energy: -442.543280
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -85.583
flat angles P-C4'-P energy: -61.204
tors. eta vs tors. theta energy: -115.886
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: 236
Temperature: 1.250000
Total energy: -1269.324396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.324396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.324396 (E_RNA)
where:
Base-Base interactions energy: -858.989
where: short stacking energy: -378.749
Base-Backbone interact. energy: 1.582
local terms energy: -411.917256
where:
bonds (distance) C4'-P energy: -88.083
bonds (distance) P-C4' energy: -85.450
flat angles C4'-P-C4' energy: -86.838
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -89.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -924.584851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.584851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.584851 (E_RNA)
where:
Base-Base interactions energy: -604.329
where: short stacking energy: -281.068
Base-Backbone interact. energy: -3.386
local terms energy: -316.869464
where:
bonds (distance) C4'-P energy: -80.073
bonds (distance) P-C4' energy: -65.301
flat angles C4'-P-C4' energy: -93.641
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -41.298
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: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -813.351858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.351858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.351858 (E_RNA)
where:
Base-Base interactions energy: -483.822
where: short stacking energy: -209.268
Base-Backbone interact. energy: -2.387
local terms energy: -327.142786
where:
bonds (distance) C4'-P energy: -80.953
bonds (distance) P-C4' energy: -83.749
flat angles C4'-P-C4' energy: -76.772
flat angles P-C4'-P energy: -50.328
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1837.555186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.555186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.555186 (E_RNA)
where:
Base-Base interactions energy: -1300.096
where: short stacking energy: -521.726
Base-Backbone interact. energy: -1.328
local terms energy: -536.131297
where:
bonds (distance) C4'-P energy: -99.451
bonds (distance) P-C4' energy: -93.828
flat angles C4'-P-C4' energy: -114.030
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -146.908
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1771.479148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.479148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.479148 (E_RNA)
where:
Base-Base interactions energy: -1244.992
where: short stacking energy: -516.884
Base-Backbone interact. energy: -1.972
local terms energy: -524.515047
where:
bonds (distance) C4'-P energy: -94.480
bonds (distance) P-C4' energy: -96.465
flat angles C4'-P-C4' energy: -116.632
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -146.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1757.139628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.139628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.139628 (E_RNA)
where:
Base-Base interactions energy: -1235.334
where: short stacking energy: -518.675
Base-Backbone interact. energy: -3.026
local terms energy: -518.779958
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -89.660
flat angles C4'-P-C4' energy: -108.072
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -152.774
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: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1668.927688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.927688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.927688 (E_RNA)
where:
Base-Base interactions energy: -1151.810
where: short stacking energy: -510.489
Base-Backbone interact. energy: -1.571
local terms energy: -515.546474
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -100.098
flat angles C4'-P-C4' energy: -115.237
flat angles P-C4'-P energy: -68.771
tors. eta vs tors. theta energy: -146.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1617.649245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.649245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.649245 (E_RNA)
where:
Base-Base interactions energy: -1142.294
where: short stacking energy: -466.497
Base-Backbone interact. energy: -2.041
local terms energy: -473.314118
where:
bonds (distance) C4'-P energy: -84.138
bonds (distance) P-C4' energy: -87.408
flat angles C4'-P-C4' energy: -99.420
flat angles P-C4'-P energy: -70.627
tors. eta vs tors. theta energy: -131.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1528.748948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.748948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.748948 (E_RNA)
where:
Base-Base interactions energy: -1070.293
where: short stacking energy: -448.147
Base-Backbone interact. energy: -0.800
local terms energy: -457.655252
where:
bonds (distance) C4'-P energy: -82.393
bonds (distance) P-C4' energy: -90.036
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -60.695
tors. eta vs tors. theta energy: -126.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1453.898481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.898481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.898481 (E_RNA)
where:
Base-Base interactions energy: -1034.294
where: short stacking energy: -431.250
Base-Backbone interact. energy: -0.985
local terms energy: -418.619633
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -98.349
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -107.859
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: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1240.517924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.517924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.517924 (E_RNA)
where:
Base-Base interactions energy: -849.301
where: short stacking energy: -340.464
Base-Backbone interact. energy: -2.370
local terms energy: -388.846916
where:
bonds (distance) C4'-P energy: -78.695
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -87.867
flat angles P-C4'-P energy: -58.983
tors. eta vs tors. theta energy: -91.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -932.115782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.115782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.115782 (E_RNA)
where:
Base-Base interactions energy: -610.462
where: short stacking energy: -262.854
Base-Backbone interact. energy: -0.171
local terms energy: -321.483123
where:
bonds (distance) C4'-P energy: -68.741
bonds (distance) P-C4' energy: -75.123
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -832.566021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.566021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.566021 (E_RNA)
where:
Base-Base interactions energy: -513.214
where: short stacking energy: -240.229
Base-Backbone interact. energy: -1.652
local terms energy: -317.699815
where:
bonds (distance) C4'-P energy: -78.019
bonds (distance) P-C4' energy: -75.526
flat angles C4'-P-C4' energy: -68.855
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -41.381
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: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1864.504195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.504195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.504195 (E_RNA)
where:
Base-Base interactions energy: -1343.784
where: short stacking energy: -543.288
Base-Backbone interact. energy: -2.253
local terms energy: -518.467061
where:
bonds (distance) C4'-P energy: -82.921
bonds (distance) P-C4' energy: -97.126
flat angles C4'-P-C4' energy: -110.078
flat angles P-C4'-P energy: -80.863
tors. eta vs tors. theta energy: -147.480
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: 238
Temperature: 0.950000
Total energy: -1745.414955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.414955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.414955 (E_RNA)
where:
Base-Base interactions energy: -1233.830
where: short stacking energy: -507.796
Base-Backbone interact. energy: -3.030
local terms energy: -508.554586
where:
bonds (distance) C4'-P energy: -88.889
bonds (distance) P-C4' energy: -102.464
flat angles C4'-P-C4' energy: -103.155
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -139.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1729.592362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.592362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.592362 (E_RNA)
where:
Base-Base interactions energy: -1218.908
where: short stacking energy: -494.056
Base-Backbone interact. energy: -2.619
local terms energy: -508.064862
where:
bonds (distance) C4'-P energy: -86.043
bonds (distance) P-C4' energy: -82.387
flat angles C4'-P-C4' energy: -114.971
flat angles P-C4'-P energy: -80.316
tors. eta vs tors. theta energy: -144.348
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: 238
Temperature: 1.050000
Total energy: -1641.641697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.641697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.641697 (E_RNA)
where:
Base-Base interactions energy: -1162.192
where: short stacking energy: -492.678
Base-Backbone interact. energy: -2.968
local terms energy: -476.481670
where:
bonds (distance) C4'-P energy: -91.991
bonds (distance) P-C4' energy: -76.059
flat angles C4'-P-C4' energy: -98.729
flat angles P-C4'-P energy: -69.253
tors. eta vs tors. theta energy: -140.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1551.142825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.142825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.142825 (E_RNA)
where:
Base-Base interactions energy: -1087.052
where: short stacking energy: -441.432
Base-Backbone interact. energy: -0.891
local terms energy: -463.200058
where:
bonds (distance) C4'-P energy: -82.008
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -107.073
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -121.018
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: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1555.598931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.598931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.598931 (E_RNA)
where:
Base-Base interactions energy: -1069.670
where: short stacking energy: -440.214
Base-Backbone interact. energy: -1.345
local terms energy: -484.583794
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -95.005
flat angles C4'-P-C4' energy: -103.984
flat angles P-C4'-P energy: -78.161
tors. eta vs tors. theta energy: -122.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1458.867140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.867140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.867140 (E_RNA)
where:
Base-Base interactions energy: -1035.332
where: short stacking energy: -444.402
Base-Backbone interact. energy: -1.340
local terms energy: -422.195463
where:
bonds (distance) C4'-P energy: -68.538
bonds (distance) P-C4' energy: -80.689
flat angles C4'-P-C4' energy: -99.370
flat angles P-C4'-P energy: -58.251
tors. eta vs tors. theta energy: -115.348
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: 238
Temperature: 1.250000
Total energy: -1280.005315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.005315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.005315 (E_RNA)
where:
Base-Base interactions energy: -895.290
where: short stacking energy: -394.579
Base-Backbone interact. energy: 1.953
local terms energy: -386.668505
where:
bonds (distance) C4'-P energy: -88.228
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -53.771
tors. eta vs tors. theta energy: -97.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -998.990445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.990445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.990445 (E_RNA)
where:
Base-Base interactions energy: -649.591
where: short stacking energy: -280.086
Base-Backbone interact. energy: 0.449
local terms energy: -349.848608
where:
bonds (distance) C4'-P energy: -83.617
bonds (distance) P-C4' energy: -87.880
flat angles C4'-P-C4' energy: -80.486
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -56.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -800.529803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.529803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.529803 (E_RNA)
where:
Base-Base interactions energy: -498.490
where: short stacking energy: -216.713
Base-Backbone interact. energy: -0.244
local terms energy: -301.795661
where:
bonds (distance) C4'-P energy: -65.615
bonds (distance) P-C4' energy: -75.055
flat angles C4'-P-C4' energy: -74.283
flat angles P-C4'-P energy: -57.986
tors. eta vs tors. theta energy: -28.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1857.652559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.652559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.652559 (E_RNA)
where:
Base-Base interactions energy: -1311.849
where: short stacking energy: -544.401
Base-Backbone interact. energy: -2.668
local terms energy: -543.135493
where:
bonds (distance) C4'-P energy: -100.804
bonds (distance) P-C4' energy: -96.080
flat angles C4'-P-C4' energy: -112.234
flat angles P-C4'-P energy: -82.605
tors. eta vs tors. theta energy: -151.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1794.170488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.170488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.170488 (E_RNA)
where:
Base-Base interactions energy: -1258.367
where: short stacking energy: -519.218
Base-Backbone interact. energy: -2.856
local terms energy: -532.947443
where:
bonds (distance) C4'-P energy: -94.949
bonds (distance) P-C4' energy: -90.096
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -149.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1734.011220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.011220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.011220 (E_RNA)
where:
Base-Base interactions energy: -1230.370
where: short stacking energy: -506.782
Base-Backbone interact. energy: -3.035
local terms energy: -500.606693
where:
bonds (distance) C4'-P energy: -93.500
bonds (distance) P-C4' energy: -85.695
flat angles C4'-P-C4' energy: -104.078
flat angles P-C4'-P energy: -69.041
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1658.781040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.781040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.781040 (E_RNA)
where:
Base-Base interactions energy: -1177.677
where: short stacking energy: -493.131
Base-Backbone interact. energy: -1.538
local terms energy: -479.566726
where:
bonds (distance) C4'-P energy: -82.411
bonds (distance) P-C4' energy: -92.331
flat angles C4'-P-C4' energy: -102.912
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -127.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1600.414981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.414981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.414981 (E_RNA)
where:
Base-Base interactions energy: -1109.769
where: short stacking energy: -467.322
Base-Backbone interact. energy: -1.466
local terms energy: -489.179928
where:
bonds (distance) C4'-P energy: -94.421
bonds (distance) P-C4' energy: -88.508
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -67.869
tors. eta vs tors. theta energy: -141.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1473.435646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.435646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.435646 (E_RNA)
where:
Base-Base interactions energy: -1035.435
where: short stacking energy: -446.970
Base-Backbone interact. energy: 3.681
local terms energy: -441.681517
where:
bonds (distance) C4'-P energy: -87.228
bonds (distance) P-C4' energy: -73.146
flat angles C4'-P-C4' energy: -101.076
flat angles P-C4'-P energy: -67.093
tors. eta vs tors. theta energy: -113.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1475.133538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.133538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.133538 (E_RNA)
where:
Base-Base interactions energy: -1036.135
where: short stacking energy: -444.912
Base-Backbone interact. energy: -2.218
local terms energy: -436.780553
where:
bonds (distance) C4'-P energy: -85.544
bonds (distance) P-C4' energy: -86.277
flat angles C4'-P-C4' energy: -80.303
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -122.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1244.982347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.982347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.982347 (E_RNA)
where:
Base-Base interactions energy: -841.318
where: short stacking energy: -351.925
Base-Backbone interact. energy: -0.420
local terms energy: -403.244490
where:
bonds (distance) C4'-P energy: -74.514
bonds (distance) P-C4' energy: -78.192
flat angles C4'-P-C4' energy: -95.023
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -96.377
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: 239
Temperature: 1.300000
Total energy: -991.879404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.879404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.879404 (E_RNA)
where:
Base-Base interactions energy: -648.129
where: short stacking energy: -288.653
Base-Backbone interact. energy: 0.753
local terms energy: -344.502965
where:
bonds (distance) C4'-P energy: -74.276
bonds (distance) P-C4' energy: -92.119
flat angles C4'-P-C4' energy: -88.257
flat angles P-C4'-P energy: -32.298
tors. eta vs tors. theta energy: -57.553
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: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -817.807055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.807055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.807055 (E_RNA)
where:
Base-Base interactions energy: -523.116
where: short stacking energy: -235.560
Base-Backbone interact. energy: -1.201
local terms energy: -293.490034
where:
bonds (distance) C4'-P energy: -86.408
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -77.164
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -24.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1850.285902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.285902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.285902 (E_RNA)
where:
Base-Base interactions energy: -1309.404
where: short stacking energy: -544.132
Base-Backbone interact. energy: -3.140
local terms energy: -537.741854
where:
bonds (distance) C4'-P energy: -95.315
bonds (distance) P-C4' energy: -89.611
flat angles C4'-P-C4' energy: -111.998
flat angles P-C4'-P energy: -83.101
tors. eta vs tors. theta energy: -157.716
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1780.129473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.129473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.129473 (E_RNA)
where:
Base-Base interactions energy: -1255.853
where: short stacking energy: -504.762
Base-Backbone interact. energy: -2.995
local terms energy: -521.281901
where:
bonds (distance) C4'-P energy: -98.532
bonds (distance) P-C4' energy: -89.339
flat angles C4'-P-C4' energy: -104.790
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: -154.173
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: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1723.075375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.075375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.075375 (E_RNA)
where:
Base-Base interactions energy: -1212.876
where: short stacking energy: -507.143
Base-Backbone interact. energy: -1.162
local terms energy: -509.037800
where:
bonds (distance) C4'-P energy: -88.534
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -109.499
flat angles P-C4'-P energy: -77.729
tors. eta vs tors. theta energy: -141.060
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: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1645.014068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.014068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.014068 (E_RNA)
where:
Base-Base interactions energy: -1147.804
where: short stacking energy: -473.375
Base-Backbone interact. energy: -1.290
local terms energy: -495.919364
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -102.288
flat angles C4'-P-C4' energy: -109.214
flat angles P-C4'-P energy: -77.237
tors. eta vs tors. theta energy: -134.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1630.187738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.187738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.187738 (E_RNA)
where:
Base-Base interactions energy: -1144.515
where: short stacking energy: -482.488
Base-Backbone interact. energy: -3.362
local terms energy: -482.311031
where:
bonds (distance) C4'-P energy: -81.090
bonds (distance) P-C4' energy: -81.381
flat angles C4'-P-C4' energy: -101.735
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -142.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1542.680160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.680160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.680160 (E_RNA)
where:
Base-Base interactions energy: -1075.688
where: short stacking energy: -434.852
Base-Backbone interact. energy: -0.906
local terms energy: -466.086285
where:
bonds (distance) C4'-P energy: -85.296
bonds (distance) P-C4' energy: -95.427
flat angles C4'-P-C4' energy: -98.223
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -125.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1474.402198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.402198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.402198 (E_RNA)
where:
Base-Base interactions energy: -1036.204
where: short stacking energy: -443.457
Base-Backbone interact. energy: 1.277
local terms energy: -439.475589
where:
bonds (distance) C4'-P energy: -80.913
bonds (distance) P-C4' energy: -76.840
flat angles C4'-P-C4' energy: -101.420
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -111.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1234.118565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.118565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.118565 (E_RNA)
where:
Base-Base interactions energy: -867.895
where: short stacking energy: -349.742
Base-Backbone interact. energy: 0.435
local terms energy: -366.657676
where:
bonds (distance) C4'-P energy: -79.619
bonds (distance) P-C4' energy: -77.041
flat angles C4'-P-C4' energy: -83.980
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -83.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1020.245209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.245209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.245209 (E_RNA)
where:
Base-Base interactions energy: -648.303
where: short stacking energy: -310.330
Base-Backbone interact. energy: 1.208
local terms energy: -373.150052
where:
bonds (distance) C4'-P energy: -74.098
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -87.563
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -69.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -799.695662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.695662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.695662 (E_RNA)
where:
Base-Base interactions energy: -489.900
where: short stacking energy: -225.892
Base-Backbone interact. energy: 1.271
local terms energy: -311.067568
where:
bonds (distance) C4'-P energy: -80.077
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -38.706
tors. eta vs tors. theta energy: -28.825
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: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1860.423800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.423800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.423800 (E_RNA)
where:
Base-Base interactions energy: -1304.039
where: short stacking energy: -520.611
Base-Backbone interact. energy: -4.279
local terms energy: -552.106194
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -105.867
flat angles C4'-P-C4' energy: -103.905
flat angles P-C4'-P energy: -90.039
tors. eta vs tors. theta energy: -157.277
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: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1792.683556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.683556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.683556 (E_RNA)
where:
Base-Base interactions energy: -1282.352
where: short stacking energy: -527.844
Base-Backbone interact. energy: -2.123
local terms energy: -508.208551
where:
bonds (distance) C4'-P energy: -90.833
bonds (distance) P-C4' energy: -95.570
flat angles C4'-P-C4' energy: -105.717
flat angles P-C4'-P energy: -67.836
tors. eta vs tors. theta energy: -148.253
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: 241
Temperature: 1.000000
Total energy: -1725.939806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.939806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.939806 (E_RNA)
where:
Base-Base interactions energy: -1224.819
where: short stacking energy: -516.553
Base-Backbone interact. energy: -2.432
local terms energy: -498.689178
where:
bonds (distance) C4'-P energy: -83.239
bonds (distance) P-C4' energy: -90.446
flat angles C4'-P-C4' energy: -105.630
flat angles P-C4'-P energy: -77.419
tors. eta vs tors. theta energy: -141.955
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: 241
Temperature: 1.050000
Total energy: -1678.343640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.343640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.343640 (E_RNA)
where:
Base-Base interactions energy: -1179.864
where: short stacking energy: -490.485
Base-Backbone interact. energy: -2.102
local terms energy: -496.377436
where:
bonds (distance) C4'-P energy: -73.741
bonds (distance) P-C4' energy: -98.978
flat angles C4'-P-C4' energy: -107.742
flat angles P-C4'-P energy: -78.675
tors. eta vs tors. theta energy: -137.241
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: 241
Temperature: 1.100000
Total energy: -1603.189067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.189067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.189067 (E_RNA)
where:
Base-Base interactions energy: -1143.854
where: short stacking energy: -465.232
Base-Backbone interact. energy: -1.583
local terms energy: -457.751945
where:
bonds (distance) C4'-P energy: -76.994
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -102.103
flat angles P-C4'-P energy: -57.270
tors. eta vs tors. theta energy: -135.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1556.679978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.679978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.679978 (E_RNA)
where:
Base-Base interactions energy: -1088.810
where: short stacking energy: -465.493
Base-Backbone interact. energy: -3.545
local terms energy: -464.324534
where:
bonds (distance) C4'-P energy: -87.217
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -97.685
flat angles P-C4'-P energy: -72.742
tors. eta vs tors. theta energy: -139.067
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1473.712116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.712116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.712116 (E_RNA)
where:
Base-Base interactions energy: -1012.393
where: short stacking energy: -418.421
Base-Backbone interact. energy: -0.795
local terms energy: -460.523877
where:
bonds (distance) C4'-P energy: -78.976
bonds (distance) P-C4' energy: -94.757
flat angles C4'-P-C4' energy: -98.333
flat angles P-C4'-P energy: -73.220
tors. eta vs tors. theta energy: -115.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1227.368075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.368075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.368075 (E_RNA)
where:
Base-Base interactions energy: -828.114
where: short stacking energy: -348.110
Base-Backbone interact. energy: 1.023
local terms energy: -400.276818
where:
bonds (distance) C4'-P energy: -88.948
bonds (distance) P-C4' energy: -93.496
flat angles C4'-P-C4' energy: -74.195
flat angles P-C4'-P energy: -50.946
tors. eta vs tors. theta energy: -92.691
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: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1019.667032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.667032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.667032 (E_RNA)
where:
Base-Base interactions energy: -666.071
where: short stacking energy: -300.665
Base-Backbone interact. energy: -1.312
local terms energy: -352.283530
where:
bonds (distance) C4'-P energy: -78.018
bonds (distance) P-C4' energy: -88.492
flat angles C4'-P-C4' energy: -80.376
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -59.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -802.406067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.406067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.406067 (E_RNA)
where:
Base-Base interactions energy: -510.362
where: short stacking energy: -220.673
Base-Backbone interact. energy: 4.406
local terms energy: -296.449729
where:
bonds (distance) C4'-P energy: -84.016
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -65.329
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -28.870
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: 242
Temperature: 0.900000
Total energy: -1846.655225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.655225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.655225 (E_RNA)
where:
Base-Base interactions energy: -1297.255
where: short stacking energy: -545.763
Base-Backbone interact. energy: -5.318
local terms energy: -544.081924
where:
bonds (distance) C4'-P energy: -100.626
bonds (distance) P-C4' energy: -88.770
flat angles C4'-P-C4' energy: -115.794
flat angles P-C4'-P energy: -79.822
tors. eta vs tors. theta energy: -159.069
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: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1810.160169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.160169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.160169 (E_RNA)
where:
Base-Base interactions energy: -1278.829
where: short stacking energy: -518.842
Base-Backbone interact. energy: -1.657
local terms energy: -529.674237
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -99.365
flat angles C4'-P-C4' energy: -111.635
flat angles P-C4'-P energy: -78.259
tors. eta vs tors. theta energy: -149.128
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: 242
Temperature: 1.000000
Total energy: -1710.599446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.599446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.599446 (E_RNA)
where:
Base-Base interactions energy: -1205.891
where: short stacking energy: -486.403
Base-Backbone interact. energy: -1.770
local terms energy: -502.937994
where:
bonds (distance) C4'-P energy: -97.736
bonds (distance) P-C4' energy: -82.237
flat angles C4'-P-C4' energy: -109.518
flat angles P-C4'-P energy: -71.256
tors. eta vs tors. theta energy: -142.191
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1680.271291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.271291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.271291 (E_RNA)
where:
Base-Base interactions energy: -1198.985
where: short stacking energy: -518.739
Base-Backbone interact. energy: 0.771
local terms energy: -482.057755
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -84.240
flat angles C4'-P-C4' energy: -102.155
flat angles P-C4'-P energy: -72.043
tors. eta vs tors. theta energy: -143.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1619.758612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.758612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.758612 (E_RNA)
where:
Base-Base interactions energy: -1156.022
where: short stacking energy: -466.916
Base-Backbone interact. energy: -1.828
local terms energy: -461.908541
where:
bonds (distance) C4'-P energy: -86.013
bonds (distance) P-C4' energy: -75.238
flat angles C4'-P-C4' energy: -95.604
flat angles P-C4'-P energy: -76.205
tors. eta vs tors. theta energy: -128.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1549.287652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.287652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.287652 (E_RNA)
where:
Base-Base interactions energy: -1089.940
where: short stacking energy: -449.605
Base-Backbone interact. energy: -0.539
local terms energy: -458.809339
where:
bonds (distance) C4'-P energy: -83.796
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -99.718
flat angles P-C4'-P energy: -63.087
tors. eta vs tors. theta energy: -129.793
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: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1423.504455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.504455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.504455 (E_RNA)
where:
Base-Base interactions energy: -986.770
where: short stacking energy: -426.672
Base-Backbone interact. energy: 1.273
local terms energy: -438.007492
where:
bonds (distance) C4'-P energy: -88.294
bonds (distance) P-C4' energy: -89.878
flat angles C4'-P-C4' energy: -91.568
flat angles P-C4'-P energy: -54.484
tors. eta vs tors. theta energy: -113.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1228.362640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.362640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.362640 (E_RNA)
where:
Base-Base interactions energy: -870.119
where: short stacking energy: -347.404
Base-Backbone interact. energy: 3.913
local terms energy: -362.155917
where:
bonds (distance) C4'-P energy: -83.307
bonds (distance) P-C4' energy: -79.286
flat angles C4'-P-C4' energy: -89.060
flat angles P-C4'-P energy: -33.826
tors. eta vs tors. theta energy: -76.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -945.104338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.104338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.104338 (E_RNA)
where:
Base-Base interactions energy: -597.555
where: short stacking energy: -264.870
Base-Backbone interact. energy: 4.303
local terms energy: -351.852388
where:
bonds (distance) C4'-P energy: -88.404
bonds (distance) P-C4' energy: -83.111
flat angles C4'-P-C4' energy: -86.176
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -863.401235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.401235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.401235 (E_RNA)
where:
Base-Base interactions energy: -551.936
where: short stacking energy: -259.883
Base-Backbone interact. energy: -3.896
local terms energy: -307.568265
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -42.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1860.896190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.896190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.896190 (E_RNA)
where:
Base-Base interactions energy: -1313.338
where: short stacking energy: -526.129
Base-Backbone interact. energy: -4.746
local terms energy: -542.812625
where:
bonds (distance) C4'-P energy: -90.461
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -120.350
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -149.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1792.882614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.882614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.882614 (E_RNA)
where:
Base-Base interactions energy: -1290.583
where: short stacking energy: -544.053
Base-Backbone interact. energy: -1.889
local terms energy: -500.409897
where:
bonds (distance) C4'-P energy: -77.290
bonds (distance) P-C4' energy: -85.327
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -81.723
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: 243
Temperature: 1.000000
Total energy: -1750.576337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.576337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.576337 (E_RNA)
where:
Base-Base interactions energy: -1229.247
where: short stacking energy: -509.825
Base-Backbone interact. energy: -3.827
local terms energy: -517.502176
where:
bonds (distance) C4'-P energy: -86.764
bonds (distance) P-C4' energy: -96.615
flat angles C4'-P-C4' energy: -109.343
flat angles P-C4'-P energy: -79.806
tors. eta vs tors. theta energy: -144.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1707.173479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.173479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.173479 (E_RNA)
where:
Base-Base interactions energy: -1188.320
where: short stacking energy: -498.859
Base-Backbone interact. energy: -1.933
local terms energy: -516.921038
where:
bonds (distance) C4'-P energy: -78.262
bonds (distance) P-C4' energy: -93.055
flat angles C4'-P-C4' energy: -118.333
flat angles P-C4'-P energy: -75.950
tors. eta vs tors. theta energy: -151.321
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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1618.400513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.400513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.400513 (E_RNA)
where:
Base-Base interactions energy: -1134.193
where: short stacking energy: -471.185
Base-Backbone interact. energy: -1.189
local terms energy: -483.018274
where:
bonds (distance) C4'-P energy: -95.758
bonds (distance) P-C4' energy: -90.494
flat angles C4'-P-C4' energy: -99.613
flat angles P-C4'-P energy: -78.684
tors. eta vs tors. theta energy: -118.469
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: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1571.256044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.256044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.256044 (E_RNA)
where:
Base-Base interactions energy: -1104.640
where: short stacking energy: -453.572
Base-Backbone interact. energy: -2.160
local terms energy: -464.455878
where:
bonds (distance) C4'-P energy: -76.530
bonds (distance) P-C4' energy: -84.530
flat angles C4'-P-C4' energy: -101.586
flat angles P-C4'-P energy: -80.373
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: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1481.800961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.800961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.800961 (E_RNA)
where:
Base-Base interactions energy: -1023.432
where: short stacking energy: -421.778
Base-Backbone interact. energy: -1.283
local terms energy: -457.086038
where:
bonds (distance) C4'-P energy: -82.725
bonds (distance) P-C4' energy: -89.325
flat angles C4'-P-C4' energy: -93.020
flat angles P-C4'-P energy: -71.037
tors. eta vs tors. theta energy: -120.979
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1376.769571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.769571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.769571 (E_RNA)
where:
Base-Base interactions energy: -959.441
where: short stacking energy: -397.428
Base-Backbone interact. energy: -3.593
local terms energy: -413.734881
where:
bonds (distance) C4'-P energy: -89.381
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -104.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -967.934275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.934275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.934275 (E_RNA)
where:
Base-Base interactions energy: -625.864
where: short stacking energy: -286.502
Base-Backbone interact. energy: -2.653
local terms energy: -339.417676
where:
bonds (distance) C4'-P energy: -68.087
bonds (distance) P-C4' energy: -81.123
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -52.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -868.000087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.000087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.000087 (E_RNA)
where:
Base-Base interactions energy: -542.674
where: short stacking energy: -246.062
Base-Backbone interact. energy: -0.499
local terms energy: -324.826772
where:
bonds (distance) C4'-P energy: -75.578
bonds (distance) P-C4' energy: -75.689
flat angles C4'-P-C4' energy: -92.183
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -47.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1843.176287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.176287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.176287 (E_RNA)
where:
Base-Base interactions energy: -1307.482
where: short stacking energy: -533.921
Base-Backbone interact. energy: -1.858
local terms energy: -533.836390
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -76.750
tors. eta vs tors. theta energy: -150.111
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1785.755309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.755309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.755309 (E_RNA)
where:
Base-Base interactions energy: -1235.546
where: short stacking energy: -518.608
Base-Backbone interact. energy: -1.508
local terms energy: -548.700849
where:
bonds (distance) C4'-P energy: -98.943
bonds (distance) P-C4' energy: -100.584
flat angles C4'-P-C4' energy: -118.092
flat angles P-C4'-P energy: -76.304
tors. eta vs tors. theta energy: -154.778
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: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1736.402139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.402139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.402139 (E_RNA)
where:
Base-Base interactions energy: -1214.650
where: short stacking energy: -531.706
Base-Backbone interact. energy: -3.281
local terms energy: -518.471083
where:
bonds (distance) C4'-P energy: -85.929
bonds (distance) P-C4' energy: -96.362
flat angles C4'-P-C4' energy: -105.591
flat angles P-C4'-P energy: -76.016
tors. eta vs tors. theta energy: -154.573
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: 244
Temperature: 1.050000
Total energy: -1679.092300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.092300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.092300 (E_RNA)
where:
Base-Base interactions energy: -1171.566
where: short stacking energy: -502.702
Base-Backbone interact. energy: 1.042
local terms energy: -508.568994
where:
bonds (distance) C4'-P energy: -90.097
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -115.233
flat angles P-C4'-P energy: -70.945
tors. eta vs tors. theta energy: -144.255
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: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1603.440144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.440144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.440144 (E_RNA)
where:
Base-Base interactions energy: -1151.863
where: short stacking energy: -475.010
Base-Backbone interact. energy: -0.716
local terms energy: -450.861985
where:
bonds (distance) C4'-P energy: -74.310
bonds (distance) P-C4' energy: -89.265
flat angles C4'-P-C4' energy: -89.776
flat angles P-C4'-P energy: -64.539
tors. eta vs tors. theta energy: -132.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1541.620788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.620788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.620788 (E_RNA)
where:
Base-Base interactions energy: -1082.205
where: short stacking energy: -441.480
Base-Backbone interact. energy: -3.471
local terms energy: -455.944109
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -87.703
flat angles C4'-P-C4' energy: -97.109
flat angles P-C4'-P energy: -61.054
tors. eta vs tors. theta energy: -129.264
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: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1370.119125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.119125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.119125 (E_RNA)
where:
Base-Base interactions energy: -955.337
where: short stacking energy: -406.022
Base-Backbone interact. energy: 0.407
local terms energy: -415.188734
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -86.583
flat angles C4'-P-C4' energy: -76.088
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -114.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1273.060848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.060848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.060848 (E_RNA)
where:
Base-Base interactions energy: -901.782
where: short stacking energy: -361.372
Base-Backbone interact. energy: -1.142
local terms energy: -370.136209
where:
bonds (distance) C4'-P energy: -86.388
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -81.399
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: -89.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -908.073704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.073704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.073704 (E_RNA)
where:
Base-Base interactions energy: -580.113
where: short stacking energy: -283.136
Base-Backbone interact. energy: 0.253
local terms energy: -328.214349
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -90.947
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -48.678
tors. eta vs tors. theta energy: -39.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -781.562130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.562130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.562130 (E_RNA)
where:
Base-Base interactions energy: -481.395
where: short stacking energy: -233.038
Base-Backbone interact. energy: -0.565
local terms energy: -299.601413
where:
bonds (distance) C4'-P energy: -72.966
bonds (distance) P-C4' energy: -73.438
flat angles C4'-P-C4' energy: -78.149
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: -29.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1883.791099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.791099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.791099 (E_RNA)
where:
Base-Base interactions energy: -1324.275
where: short stacking energy: -540.095
Base-Backbone interact. energy: -1.983
local terms energy: -557.533258
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -97.708
flat angles C4'-P-C4' energy: -119.074
flat angles P-C4'-P energy: -82.707
tors. eta vs tors. theta energy: -157.813
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: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1803.745076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.745076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.745076 (E_RNA)
where:
Base-Base interactions energy: -1267.024
where: short stacking energy: -535.681
Base-Backbone interact. energy: -2.917
local terms energy: -533.804224
where:
bonds (distance) C4'-P energy: -94.848
bonds (distance) P-C4' energy: -99.049
flat angles C4'-P-C4' energy: -110.119
flat angles P-C4'-P energy: -77.998
tors. eta vs tors. theta energy: -151.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1764.587113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.587113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.587113 (E_RNA)
where:
Base-Base interactions energy: -1253.631
where: short stacking energy: -547.897
Base-Backbone interact. energy: -1.583
local terms energy: -509.373076
where:
bonds (distance) C4'-P energy: -86.673
bonds (distance) P-C4' energy: -85.836
flat angles C4'-P-C4' energy: -116.031
flat angles P-C4'-P energy: -63.393
tors. eta vs tors. theta energy: -157.441
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: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1677.253524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.253524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.253524 (E_RNA)
where:
Base-Base interactions energy: -1179.337
where: short stacking energy: -487.056
Base-Backbone interact. energy: -2.549
local terms energy: -495.368492
where:
bonds (distance) C4'-P energy: -87.161
bonds (distance) P-C4' energy: -84.114
flat angles C4'-P-C4' energy: -108.363
flat angles P-C4'-P energy: -79.095
tors. eta vs tors. theta energy: -136.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1568.377155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.377155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.377155 (E_RNA)
where:
Base-Base interactions energy: -1102.656
where: short stacking energy: -458.584
Base-Backbone interact. energy: -2.396
local terms energy: -463.324348
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -93.306
flat angles C4'-P-C4' energy: -101.430
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: -123.102
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: 245
Temperature: 1.150000
Total energy: -1544.058943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.058943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.058943 (E_RNA)
where:
Base-Base interactions energy: -1083.078
where: short stacking energy: -432.572
Base-Backbone interact. energy: -1.502
local terms energy: -459.479440
where:
bonds (distance) C4'-P energy: -83.972
bonds (distance) P-C4' energy: -88.969
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -73.819
tors. eta vs tors. theta energy: -118.667
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1391.030881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.030881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.030881 (E_RNA)
where:
Base-Base interactions energy: -965.818
where: short stacking energy: -404.814
Base-Backbone interact. energy: -2.342
local terms energy: -422.870471
where:
bonds (distance) C4'-P energy: -64.931
bonds (distance) P-C4' energy: -91.550
flat angles C4'-P-C4' energy: -93.304
flat angles P-C4'-P energy: -63.524
tors. eta vs tors. theta energy: -109.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1214.605204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.605204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.605204 (E_RNA)
where:
Base-Base interactions energy: -817.415
where: short stacking energy: -320.966
Base-Backbone interact. energy: -3.699
local terms energy: -393.491009
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -80.685
flat angles C4'-P-C4' energy: -93.508
flat angles P-C4'-P energy: -72.479
tors. eta vs tors. theta energy: -76.297
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -892.507555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.507555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.507555 (E_RNA)
where:
Base-Base interactions energy: -564.159
where: short stacking energy: -237.324
Base-Backbone interact. energy: -1.055
local terms energy: -327.293605
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -77.218
flat angles C4'-P-C4' energy: -87.990
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -39.100
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: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -879.690753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.690753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.690753 (E_RNA)
where:
Base-Base interactions energy: -529.570
where: short stacking energy: -246.613
Base-Backbone interact. energy: 2.827
local terms energy: -352.947651
where:
bonds (distance) C4'-P energy: -91.888
bonds (distance) P-C4' energy: -92.225
flat angles C4'-P-C4' energy: -82.340
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -37.863
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: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1876.356798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.356798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.356798 (E_RNA)
where:
Base-Base interactions energy: -1329.160
where: short stacking energy: -548.051
Base-Backbone interact. energy: -0.972
local terms energy: -546.225039
where:
bonds (distance) C4'-P energy: -94.374
bonds (distance) P-C4' energy: -106.750
flat angles C4'-P-C4' energy: -109.597
flat angles P-C4'-P energy: -78.986
tors. eta vs tors. theta energy: -156.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1787.328381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.328381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.328381 (E_RNA)
where:
Base-Base interactions energy: -1269.117
where: short stacking energy: -531.579
Base-Backbone interact. energy: -1.031
local terms energy: -517.180368
where:
bonds (distance) C4'-P energy: -88.191
bonds (distance) P-C4' energy: -96.540
flat angles C4'-P-C4' energy: -112.055
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -151.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1718.997033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.997033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.997033 (E_RNA)
where:
Base-Base interactions energy: -1213.500
where: short stacking energy: -513.995
Base-Backbone interact. energy: -2.490
local terms energy: -503.006524
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -88.102
flat angles C4'-P-C4' energy: -113.923
flat angles P-C4'-P energy: -67.281
tors. eta vs tors. theta energy: -147.124
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1690.062510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.062510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.062510 (E_RNA)
where:
Base-Base interactions energy: -1196.017
where: short stacking energy: -502.983
Base-Backbone interact. energy: 0.829
local terms energy: -494.874389
where:
bonds (distance) C4'-P energy: -97.857
bonds (distance) P-C4' energy: -91.627
flat angles C4'-P-C4' energy: -103.978
flat angles P-C4'-P energy: -62.721
tors. eta vs tors. theta energy: -138.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1542.937233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.937233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.937233 (E_RNA)
where:
Base-Base interactions energy: -1069.636
where: short stacking energy: -455.464
Base-Backbone interact. energy: -2.561
local terms energy: -470.740459
where:
bonds (distance) C4'-P energy: -83.304
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -99.724
flat angles P-C4'-P energy: -58.615
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: 246
Temperature: 1.150000
Total energy: -1575.496896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.496896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.496896 (E_RNA)
where:
Base-Base interactions energy: -1118.722
where: short stacking energy: -462.051
Base-Backbone interact. energy: -0.680
local terms energy: -456.094470
where:
bonds (distance) C4'-P energy: -81.150
bonds (distance) P-C4' energy: -86.972
flat angles C4'-P-C4' energy: -94.902
flat angles P-C4'-P energy: -63.824
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1406.079595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.079595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.079595 (E_RNA)
where:
Base-Base interactions energy: -976.278
where: short stacking energy: -388.869
Base-Backbone interact. energy: -1.128
local terms energy: -428.674008
where:
bonds (distance) C4'-P energy: -89.196
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -102.240
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -111.312
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: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1250.518960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.518960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.518960 (E_RNA)
where:
Base-Base interactions energy: -873.002
where: short stacking energy: -390.365
Base-Backbone interact. energy: -0.359
local terms energy: -377.157215
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -75.223
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -59.443
tors. eta vs tors. theta energy: -92.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -906.871156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.871156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.871156 (E_RNA)
where:
Base-Base interactions energy: -568.112
where: short stacking energy: -243.972
Base-Backbone interact. energy: -2.366
local terms energy: -336.392692
where:
bonds (distance) C4'-P energy: -77.903
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -37.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -778.342859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.342859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.342859 (E_RNA)
where:
Base-Base interactions energy: -449.397
where: short stacking energy: -216.362
Base-Backbone interact. energy: 1.592
local terms energy: -330.537393
where:
bonds (distance) C4'-P energy: -73.759
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -80.054
flat angles P-C4'-P energy: -46.589
tors. eta vs tors. theta energy: -46.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1875.886631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.886631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.886631 (E_RNA)
where:
Base-Base interactions energy: -1322.960
where: short stacking energy: -536.647
Base-Backbone interact. energy: -3.597
local terms energy: -549.328915
where:
bonds (distance) C4'-P energy: -99.205
bonds (distance) P-C4' energy: -114.567
flat angles C4'-P-C4' energy: -101.147
flat angles P-C4'-P energy: -78.466
tors. eta vs tors. theta energy: -155.944
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1806.599718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.599718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.599718 (E_RNA)
where:
Base-Base interactions energy: -1278.089
where: short stacking energy: -541.861
Base-Backbone interact. energy: -3.355
local terms energy: -525.154868
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -91.128
flat angles C4'-P-C4' energy: -110.330
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -157.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1728.528267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.528267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.528267 (E_RNA)
where:
Base-Base interactions energy: -1218.600
where: short stacking energy: -499.024
Base-Backbone interact. energy: -1.094
local terms energy: -508.834886
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -94.814
flat angles C4'-P-C4' energy: -100.014
flat angles P-C4'-P energy: -72.775
tors. eta vs tors. theta energy: -146.342
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1689.617368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.617368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.617368 (E_RNA)
where:
Base-Base interactions energy: -1173.544
where: short stacking energy: -490.669
Base-Backbone interact. energy: -0.545
local terms energy: -515.528057
where:
bonds (distance) C4'-P energy: -103.868
bonds (distance) P-C4' energy: -96.773
flat angles C4'-P-C4' energy: -97.751
flat angles P-C4'-P energy: -73.318
tors. eta vs tors. theta energy: -143.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1587.962810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.962810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.962810 (E_RNA)
where:
Base-Base interactions energy: -1121.384
where: short stacking energy: -455.237
Base-Backbone interact. energy: -1.660
local terms energy: -464.918975
where:
bonds (distance) C4'-P energy: -68.625
bonds (distance) P-C4' energy: -91.677
flat angles C4'-P-C4' energy: -104.728
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: -120.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1569.684043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.684043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.684043 (E_RNA)
where:
Base-Base interactions energy: -1097.599
where: short stacking energy: -435.251
Base-Backbone interact. energy: -2.933
local terms energy: -469.151365
where:
bonds (distance) C4'-P energy: -93.570
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -100.067
flat angles P-C4'-P energy: -70.085
tors. eta vs tors. theta energy: -118.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1402.444969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.444969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.444969 (E_RNA)
where:
Base-Base interactions energy: -963.164
where: short stacking energy: -385.159
Base-Backbone interact. energy: -1.101
local terms energy: -438.180101
where:
bonds (distance) C4'-P energy: -86.443
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -98.346
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -100.967
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: 247
Temperature: 1.250000
Total energy: -1242.943470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.943470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.943470 (E_RNA)
where:
Base-Base interactions energy: -839.773
where: short stacking energy: -334.918
Base-Backbone interact. energy: -3.778
local terms energy: -399.391878
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -86.079
flat angles C4'-P-C4' energy: -75.094
flat angles P-C4'-P energy: -63.041
tors. eta vs tors. theta energy: -85.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -865.861038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.861038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.861038 (E_RNA)
where:
Base-Base interactions energy: -550.559
where: short stacking energy: -241.868
Base-Backbone interact. energy: -1.538
local terms energy: -313.764921
where:
bonds (distance) C4'-P energy: -80.882
bonds (distance) P-C4' energy: -69.817
flat angles C4'-P-C4' energy: -80.913
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -44.553
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: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -794.936266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.936266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.936266 (E_RNA)
where:
Base-Base interactions energy: -494.831
where: short stacking energy: -240.569
Base-Backbone interact. energy: -2.094
local terms energy: -298.010852
where:
bonds (distance) C4'-P energy: -76.277
bonds (distance) P-C4' energy: -77.130
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -38.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1865.290308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.290308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.290308 (E_RNA)
where:
Base-Base interactions energy: -1324.226
where: short stacking energy: -542.918
Base-Backbone interact. energy: -2.282
local terms energy: -538.782373
where:
bonds (distance) C4'-P energy: -101.145
bonds (distance) P-C4' energy: -92.274
flat angles C4'-P-C4' energy: -115.500
flat angles P-C4'-P energy: -74.622
tors. eta vs tors. theta energy: -155.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1798.951733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.951733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.951733 (E_RNA)
where:
Base-Base interactions energy: -1249.918
where: short stacking energy: -535.407
Base-Backbone interact. energy: 1.139
local terms energy: -550.172135
where:
bonds (distance) C4'-P energy: -90.025
bonds (distance) P-C4' energy: -114.731
flat angles C4'-P-C4' energy: -115.434
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -155.399
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: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1726.686545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.686545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.686545 (E_RNA)
where:
Base-Base interactions energy: -1196.858
where: short stacking energy: -506.680
Base-Backbone interact. energy: -2.154
local terms energy: -527.675406
where:
bonds (distance) C4'-P energy: -100.242
bonds (distance) P-C4' energy: -96.143
flat angles C4'-P-C4' energy: -108.207
flat angles P-C4'-P energy: -76.649
tors. eta vs tors. theta energy: -146.435
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: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1676.722657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.722657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.722657 (E_RNA)
where:
Base-Base interactions energy: -1163.108
where: short stacking energy: -485.978
Base-Backbone interact. energy: 0.712
local terms energy: -514.326790
where:
bonds (distance) C4'-P energy: -80.887
bonds (distance) P-C4' energy: -96.048
flat angles C4'-P-C4' energy: -106.560
flat angles P-C4'-P energy: -80.497
tors. eta vs tors. theta energy: -150.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1562.519815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.519815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.519815 (E_RNA)
where:
Base-Base interactions energy: -1086.615
where: short stacking energy: -468.828
Base-Backbone interact. energy: -0.153
local terms energy: -475.752477
where:
bonds (distance) C4'-P energy: -84.140
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -127.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1558.973737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.973737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.973737 (E_RNA)
where:
Base-Base interactions energy: -1096.897
where: short stacking energy: -453.286
Base-Backbone interact. energy: -1.328
local terms energy: -460.749340
where:
bonds (distance) C4'-P energy: -91.798
bonds (distance) P-C4' energy: -81.783
flat angles C4'-P-C4' energy: -110.719
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -119.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1317.537724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.537724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.537724 (E_RNA)
where:
Base-Base interactions energy: -917.103
where: short stacking energy: -389.002
Base-Backbone interact. energy: -2.001
local terms energy: -398.433478
where:
bonds (distance) C4'-P energy: -73.928
bonds (distance) P-C4' energy: -78.170
flat angles C4'-P-C4' energy: -99.318
flat angles P-C4'-P energy: -52.934
tors. eta vs tors. theta energy: -94.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1343.652902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.652902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.652902 (E_RNA)
where:
Base-Base interactions energy: -902.303
where: short stacking energy: -363.869
Base-Backbone interact. energy: 0.184
local terms energy: -441.534223
where:
bonds (distance) C4'-P energy: -93.607
bonds (distance) P-C4' energy: -83.817
flat angles C4'-P-C4' energy: -101.204
flat angles P-C4'-P energy: -64.394
tors. eta vs tors. theta energy: -98.512
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: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -815.671626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.671626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.671626 (E_RNA)
where:
Base-Base interactions energy: -471.797
where: short stacking energy: -204.583
Base-Backbone interact. energy: 4.395
local terms energy: -348.268802
where:
bonds (distance) C4'-P energy: -94.138
bonds (distance) P-C4' energy: -87.541
flat angles C4'-P-C4' energy: -87.513
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -820.685228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.685228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.685228 (E_RNA)
where:
Base-Base interactions energy: -504.785
where: short stacking energy: -231.277
Base-Backbone interact. energy: 1.380
local terms energy: -317.280314
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1870.510333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.510333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.510333 (E_RNA)
where:
Base-Base interactions energy: -1337.642
where: short stacking energy: -552.625
Base-Backbone interact. energy: -0.939
local terms energy: -531.929252
where:
bonds (distance) C4'-P energy: -83.064
bonds (distance) P-C4' energy: -102.239
flat angles C4'-P-C4' energy: -111.338
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -152.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1793.435972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.435972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.435972 (E_RNA)
where:
Base-Base interactions energy: -1257.227
where: short stacking energy: -529.962
Base-Backbone interact. energy: -1.844
local terms energy: -534.364271
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -96.505
flat angles C4'-P-C4' energy: -114.867
flat angles P-C4'-P energy: -81.534
tors. eta vs tors. theta energy: -158.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1748.398730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.398730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.398730 (E_RNA)
where:
Base-Base interactions energy: -1232.199
where: short stacking energy: -516.305
Base-Backbone interact. energy: -0.735
local terms energy: -515.465136
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -95.490
flat angles C4'-P-C4' energy: -116.141
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -142.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1665.726677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.726677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.726677 (E_RNA)
where:
Base-Base interactions energy: -1182.405
where: short stacking energy: -502.102
Base-Backbone interact. energy: -1.885
local terms energy: -481.437000
where:
bonds (distance) C4'-P energy: -81.320
bonds (distance) P-C4' energy: -89.010
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -71.482
tors. eta vs tors. theta energy: -135.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1588.572737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.572737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.572737 (E_RNA)
where:
Base-Base interactions energy: -1103.718
where: short stacking energy: -461.382
Base-Backbone interact. energy: -1.608
local terms energy: -483.247246
where:
bonds (distance) C4'-P energy: -95.417
bonds (distance) P-C4' energy: -91.149
flat angles C4'-P-C4' energy: -98.473
flat angles P-C4'-P energy: -69.779
tors. eta vs tors. theta energy: -128.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1562.150924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.150924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.150924 (E_RNA)
where:
Base-Base interactions energy: -1097.131
where: short stacking energy: -442.942
Base-Backbone interact. energy: -1.959
local terms energy: -463.061178
where:
bonds (distance) C4'-P energy: -75.555
bonds (distance) P-C4' energy: -86.164
flat angles C4'-P-C4' energy: -111.600
flat angles P-C4'-P energy: -68.934
tors. eta vs tors. theta energy: -120.808
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: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1347.692407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.692407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.692407 (E_RNA)
where:
Base-Base interactions energy: -956.554
where: short stacking energy: -390.922
Base-Backbone interact. energy: 3.419
local terms energy: -394.556991
where:
bonds (distance) C4'-P energy: -64.936
bonds (distance) P-C4' energy: -86.234
flat angles C4'-P-C4' energy: -91.836
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -99.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1367.984963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.984963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.984963 (E_RNA)
where:
Base-Base interactions energy: -978.890
where: short stacking energy: -405.923
Base-Backbone interact. energy: -1.474
local terms energy: -387.621704
where:
bonds (distance) C4'-P energy: -81.909
bonds (distance) P-C4' energy: -69.014
flat angles C4'-P-C4' energy: -80.270
flat angles P-C4'-P energy: -56.158
tors. eta vs tors. theta energy: -100.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -803.825918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.825918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.825918 (E_RNA)
where:
Base-Base interactions energy: -477.264
where: short stacking energy: -244.842
Base-Backbone interact. energy: -1.605
local terms energy: -324.957246
where:
bonds (distance) C4'-P energy: -62.087
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -80.268
flat angles P-C4'-P energy: -57.541
tors. eta vs tors. theta energy: -34.153
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: 249
Temperature: 1.350000
Total energy: -819.345096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.345096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.345096 (E_RNA)
where:
Base-Base interactions energy: -504.470
where: short stacking energy: -240.756
Base-Backbone interact. energy: 6.222
local terms energy: -321.097297
where:
bonds (distance) C4'-P energy: -91.877
bonds (distance) P-C4' energy: -77.829
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -44.359
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1858.382414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.382414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.382414 (E_RNA)
where:
Base-Base interactions energy: -1313.618
where: short stacking energy: -522.636
Base-Backbone interact. energy: -1.586
local terms energy: -543.178755
where:
bonds (distance) C4'-P energy: -91.857
bonds (distance) P-C4' energy: -107.518
flat angles C4'-P-C4' energy: -114.517
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -146.210
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: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1804.581239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.581239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.581239 (E_RNA)
where:
Base-Base interactions energy: -1262.934
where: short stacking energy: -534.328
Base-Backbone interact. energy: 0.505
local terms energy: -542.151575
where:
bonds (distance) C4'-P energy: -99.014
bonds (distance) P-C4' energy: -104.554
flat angles C4'-P-C4' energy: -115.804
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -151.888
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1760.957294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.957294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.957294 (E_RNA)
where:
Base-Base interactions energy: -1218.288
where: short stacking energy: -528.252
Base-Backbone interact. energy: -2.533
local terms energy: -540.136018
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -94.648
flat angles C4'-P-C4' energy: -101.842
flat angles P-C4'-P energy: -89.278
tors. eta vs tors. theta energy: -159.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1661.071547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.071547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.071547 (E_RNA)
where:
Base-Base interactions energy: -1170.873
where: short stacking energy: -503.252
Base-Backbone interact. energy: -0.469
local terms energy: -489.729904
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -71.534
tors. eta vs tors. theta energy: -128.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1599.445581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.445581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.445581 (E_RNA)
where:
Base-Base interactions energy: -1148.619
where: short stacking energy: -474.078
Base-Backbone interact. energy: -2.708
local terms energy: -448.118629
where:
bonds (distance) C4'-P energy: -76.897
bonds (distance) P-C4' energy: -88.188
flat angles C4'-P-C4' energy: -99.446
flat angles P-C4'-P energy: -66.052
tors. eta vs tors. theta energy: -117.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1515.858734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.858734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.858734 (E_RNA)
where:
Base-Base interactions energy: -1057.961
where: short stacking energy: -426.748
Base-Backbone interact. energy: -1.205
local terms energy: -456.693069
where:
bonds (distance) C4'-P energy: -84.123
bonds (distance) P-C4' energy: -90.874
flat angles C4'-P-C4' energy: -107.878
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -119.248
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: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1377.861709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.861709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.861709 (E_RNA)
where:
Base-Base interactions energy: -965.290
where: short stacking energy: -430.457
Base-Backbone interact. energy: -3.099
local terms energy: -409.472564
where:
bonds (distance) C4'-P energy: -77.591
bonds (distance) P-C4' energy: -74.578
flat angles C4'-P-C4' energy: -90.411
flat angles P-C4'-P energy: -58.520
tors. eta vs tors. theta energy: -108.373
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1352.809427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.809427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.809427 (E_RNA)
where:
Base-Base interactions energy: -931.070
where: short stacking energy: -399.662
Base-Backbone interact. energy: -1.344
local terms energy: -420.394938
where:
bonds (distance) C4'-P energy: -85.293
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -77.799
flat angles P-C4'-P energy: -64.976
tors. eta vs tors. theta energy: -103.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -828.416081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.416081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.416081 (E_RNA)
where:
Base-Base interactions energy: -513.418
where: short stacking energy: -229.573
Base-Backbone interact. energy: -3.647
local terms energy: -311.351489
where:
bonds (distance) C4'-P energy: -71.552
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -72.924
flat angles P-C4'-P energy: -54.001
tors. eta vs tors. theta energy: -33.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -757.746358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.746358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.746358 (E_RNA)
where:
Base-Base interactions energy: -476.971
where: short stacking energy: -213.531
Base-Backbone interact. energy: -2.271
local terms energy: -278.505168
where:
bonds (distance) C4'-P energy: -62.982
bonds (distance) P-C4' energy: -82.435
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1867.889859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.889859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.889859 (E_RNA)
where:
Base-Base interactions energy: -1328.522
where: short stacking energy: -526.851
Base-Backbone interact. energy: 0.695
local terms energy: -540.063025
where:
bonds (distance) C4'-P energy: -90.367
bonds (distance) P-C4' energy: -94.230
flat angles C4'-P-C4' energy: -115.015
flat angles P-C4'-P energy: -83.305
tors. eta vs tors. theta energy: -157.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1816.360940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.360940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.360940 (E_RNA)
where:
Base-Base interactions energy: -1269.435
where: short stacking energy: -525.566
Base-Backbone interact. energy: -1.594
local terms energy: -545.332582
where:
bonds (distance) C4'-P energy: -87.550
bonds (distance) P-C4' energy: -103.212
flat angles C4'-P-C4' energy: -115.629
flat angles P-C4'-P energy: -88.785
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1753.167653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.167653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.167653 (E_RNA)
where:
Base-Base interactions energy: -1236.297
where: short stacking energy: -515.766
Base-Backbone interact. energy: -2.672
local terms energy: -514.199582
where:
bonds (distance) C4'-P energy: -99.400
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -77.735
tors. eta vs tors. theta energy: -142.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1700.663401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.663401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.663401 (E_RNA)
where:
Base-Base interactions energy: -1199.669
where: short stacking energy: -511.133
Base-Backbone interact. energy: -1.930
local terms energy: -499.064174
where:
bonds (distance) C4'-P energy: -88.923
bonds (distance) P-C4' energy: -91.706
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -58.206
tors. eta vs tors. theta energy: -146.586
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1593.766541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.766541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.766541 (E_RNA)
where:
Base-Base interactions energy: -1119.769
where: short stacking energy: -456.637
Base-Backbone interact. energy: -2.288
local terms energy: -471.710031
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -86.481
flat angles C4'-P-C4' energy: -107.599
flat angles P-C4'-P energy: -67.101
tors. eta vs tors. theta energy: -126.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1546.923837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.923837 (E_RNA)
where:
Base-Base interactions energy: -1114.820
where: short stacking energy: -456.965
Base-Backbone interact. energy: -2.130
local terms energy: -429.974702
where:
bonds (distance) C4'-P energy: -84.580
bonds (distance) P-C4' energy: -71.329
flat angles C4'-P-C4' energy: -90.886
flat angles P-C4'-P energy: -68.810
tors. eta vs tors. theta energy: -114.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1348.526768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.526768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.526768 (E_RNA)
where:
Base-Base interactions energy: -937.854
where: short stacking energy: -388.667
Base-Backbone interact. energy: -1.066
local terms energy: -409.606603
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -76.773
flat angles C4'-P-C4' energy: -93.018
flat angles P-C4'-P energy: -58.146
tors. eta vs tors. theta energy: -105.010
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: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1324.534757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.534757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.534757 (E_RNA)
where:
Base-Base interactions energy: -915.219
where: short stacking energy: -367.755
Base-Backbone interact. energy: -2.011
local terms energy: -407.305539
where:
bonds (distance) C4'-P energy: -77.259
bonds (distance) P-C4' energy: -83.020
flat angles C4'-P-C4' energy: -82.716
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -92.325
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: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -812.156124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.156124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.156124 (E_RNA)
where:
Base-Base interactions energy: -488.259
where: short stacking energy: -234.996
Base-Backbone interact. energy: 1.665
local terms energy: -325.562257
where:
bonds (distance) C4'-P energy: -76.398
bonds (distance) P-C4' energy: -93.133
flat angles C4'-P-C4' energy: -74.264
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -32.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -777.947708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.947708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.947708 (E_RNA)
where:
Base-Base interactions energy: -470.656
where: short stacking energy: -210.131
Base-Backbone interact. energy: -1.408
local terms energy: -305.883545
where:
bonds (distance) C4'-P energy: -65.585
bonds (distance) P-C4' energy: -79.025
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: -31.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1857.516197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.516197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.516197 (E_RNA)
where:
Base-Base interactions energy: -1319.835
where: short stacking energy: -539.487
Base-Backbone interact. energy: -5.086
local terms energy: -532.595604
where:
bonds (distance) C4'-P energy: -96.503
bonds (distance) P-C4' energy: -88.735
flat angles C4'-P-C4' energy: -117.276
flat angles P-C4'-P energy: -72.244
tors. eta vs tors. theta energy: -157.837
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1805.100072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.100072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.100072 (E_RNA)
where:
Base-Base interactions energy: -1272.428
where: short stacking energy: -544.519
Base-Backbone interact. energy: -2.001
local terms energy: -530.670600
where:
bonds (distance) C4'-P energy: -95.681
bonds (distance) P-C4' energy: -87.649
flat angles C4'-P-C4' energy: -111.754
flat angles P-C4'-P energy: -74.279
tors. eta vs tors. theta energy: -161.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1767.234950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.234950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.234950 (E_RNA)
where:
Base-Base interactions energy: -1260.769
where: short stacking energy: -530.458
Base-Backbone interact. energy: -0.858
local terms energy: -505.607334
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -97.332
flat angles P-C4'-P energy: -71.732
tors. eta vs tors. theta energy: -152.044
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1670.742001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.742001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.742001 (E_RNA)
where:
Base-Base interactions energy: -1159.676
where: short stacking energy: -479.936
Base-Backbone interact. energy: -1.690
local terms energy: -509.375272
where:
bonds (distance) C4'-P energy: -97.456
bonds (distance) P-C4' energy: -95.255
flat angles C4'-P-C4' energy: -110.178
flat angles P-C4'-P energy: -68.362
tors. eta vs tors. theta energy: -138.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1631.990353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.990353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.990353 (E_RNA)
where:
Base-Base interactions energy: -1160.632
where: short stacking energy: -493.596
Base-Backbone interact. energy: -0.844
local terms energy: -470.514174
where:
bonds (distance) C4'-P energy: -76.662
bonds (distance) P-C4' energy: -79.065
flat angles C4'-P-C4' energy: -106.472
flat angles P-C4'-P energy: -68.148
tors. eta vs tors. theta energy: -140.167
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: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1539.843031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.843031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.843031 (E_RNA)
where:
Base-Base interactions energy: -1096.443
where: short stacking energy: -437.791
Base-Backbone interact. energy: -1.672
local terms energy: -441.727907
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -97.098
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -115.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1331.044422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.044422 (E_RNA)
where:
Base-Base interactions energy: -908.952
where: short stacking energy: -385.505
Base-Backbone interact. energy: -0.357
local terms energy: -421.735717
where:
bonds (distance) C4'-P energy: -87.683
bonds (distance) P-C4' energy: -72.520
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -61.524
tors. eta vs tors. theta energy: -97.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1307.204127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.204127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.204127 (E_RNA)
where:
Base-Base interactions energy: -891.298
where: short stacking energy: -381.161
Base-Backbone interact. energy: -0.510
local terms energy: -415.395242
where:
bonds (distance) C4'-P energy: -83.683
bonds (distance) P-C4' energy: -93.021
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -103.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -858.627232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.627232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.627232 (E_RNA)
where:
Base-Base interactions energy: -530.657
where: short stacking energy: -242.873
Base-Backbone interact. energy: 1.263
local terms energy: -329.233272
where:
bonds (distance) C4'-P energy: -83.732
bonds (distance) P-C4' energy: -80.922
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -57.183
tors. eta vs tors. theta energy: -29.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -765.231947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.231947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.231947 (E_RNA)
where:
Base-Base interactions energy: -448.860
where: short stacking energy: -190.930
Base-Backbone interact. energy: 0.302
local terms energy: -316.673416
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -80.534
flat angles C4'-P-C4' energy: -75.210
flat angles P-C4'-P energy: -49.828
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1859.681864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.681864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.681864 (E_RNA)
where:
Base-Base interactions energy: -1328.263
where: short stacking energy: -533.066
Base-Backbone interact. energy: -3.923
local terms energy: -527.496048
where:
bonds (distance) C4'-P energy: -106.367
bonds (distance) P-C4' energy: -95.187
flat angles C4'-P-C4' energy: -106.255
flat angles P-C4'-P energy: -76.873
tors. eta vs tors. theta energy: -142.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1807.208143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.208143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.208143 (E_RNA)
where:
Base-Base interactions energy: -1275.353
where: short stacking energy: -543.124
Base-Backbone interact. energy: -4.717
local terms energy: -527.138077
where:
bonds (distance) C4'-P energy: -92.781
bonds (distance) P-C4' energy: -95.796
flat angles C4'-P-C4' energy: -111.120
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -157.864
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: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1756.177378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.177378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.177378 (E_RNA)
where:
Base-Base interactions energy: -1241.504
where: short stacking energy: -532.461
Base-Backbone interact. energy: -1.046
local terms energy: -513.627194
where:
bonds (distance) C4'-P energy: -83.321
bonds (distance) P-C4' energy: -95.731
flat angles C4'-P-C4' energy: -106.531
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: -158.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1630.310671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.310671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.310671 (E_RNA)
where:
Base-Base interactions energy: -1137.933
where: short stacking energy: -473.266
Base-Backbone interact. energy: -1.306
local terms energy: -491.072166
where:
bonds (distance) C4'-P energy: -91.834
bonds (distance) P-C4' energy: -103.861
flat angles C4'-P-C4' energy: -91.417
flat angles P-C4'-P energy: -67.972
tors. eta vs tors. theta energy: -135.987
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: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1627.011868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.011868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.011868 (E_RNA)
where:
Base-Base interactions energy: -1170.657
where: short stacking energy: -473.084
Base-Backbone interact. energy: -1.903
local terms energy: -454.451876
where:
bonds (distance) C4'-P energy: -71.742
bonds (distance) P-C4' energy: -79.441
flat angles C4'-P-C4' energy: -101.060
flat angles P-C4'-P energy: -69.085
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1566.738360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.738360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.738360 (E_RNA)
where:
Base-Base interactions energy: -1117.946
where: short stacking energy: -459.783
Base-Backbone interact. energy: -0.913
local terms energy: -447.879802
where:
bonds (distance) C4'-P energy: -85.105
bonds (distance) P-C4' energy: -70.153
flat angles C4'-P-C4' energy: -112.093
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -121.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1350.738507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.738507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.738507 (E_RNA)
where:
Base-Base interactions energy: -939.904
where: short stacking energy: -401.786
Base-Backbone interact. energy: -0.593
local terms energy: -410.240888
where:
bonds (distance) C4'-P energy: -75.999
bonds (distance) P-C4' energy: -67.880
flat angles C4'-P-C4' energy: -90.429
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: -112.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1302.703862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.703862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.703862 (E_RNA)
where:
Base-Base interactions energy: -924.752
where: short stacking energy: -381.439
Base-Backbone interact. energy: -0.030
local terms energy: -377.921746
where:
bonds (distance) C4'-P energy: -67.828
bonds (distance) P-C4' energy: -75.996
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: -91.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -893.383198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.383198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.383198 (E_RNA)
where:
Base-Base interactions energy: -577.891
where: short stacking energy: -269.043
Base-Backbone interact. energy: 5.992
local terms energy: -321.484088
where:
bonds (distance) C4'-P energy: -74.599
bonds (distance) P-C4' energy: -72.142
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -47.516
tors. eta vs tors. theta energy: -42.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -738.910317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.910317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.910317 (E_RNA)
where:
Base-Base interactions energy: -447.371
where: short stacking energy: -208.765
Base-Backbone interact. energy: -0.558
local terms energy: -290.980831
where:
bonds (distance) C4'-P energy: -78.260
bonds (distance) P-C4' energy: -74.801
flat angles C4'-P-C4' energy: -67.638
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1854.279820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.279820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.279820 (E_RNA)
where:
Base-Base interactions energy: -1304.861
where: short stacking energy: -546.107
Base-Backbone interact. energy: -1.993
local terms energy: -547.425299
where:
bonds (distance) C4'-P energy: -80.775
bonds (distance) P-C4' energy: -102.682
flat angles C4'-P-C4' energy: -121.598
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -163.063
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: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1812.597669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.597669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.597669 (E_RNA)
where:
Base-Base interactions energy: -1292.903
where: short stacking energy: -519.013
Base-Backbone interact. energy: -1.872
local terms energy: -517.822597
where:
bonds (distance) C4'-P energy: -88.126
bonds (distance) P-C4' energy: -85.912
flat angles C4'-P-C4' energy: -119.584
flat angles P-C4'-P energy: -75.595
tors. eta vs tors. theta energy: -148.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1748.308982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.308982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.308982 (E_RNA)
where:
Base-Base interactions energy: -1234.349
where: short stacking energy: -504.311
Base-Backbone interact. energy: -1.820
local terms energy: -512.139931
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -105.401
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -155.775
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: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1658.965682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.965682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.965682 (E_RNA)
where:
Base-Base interactions energy: -1168.671
where: short stacking energy: -488.598
Base-Backbone interact. energy: -0.924
local terms energy: -489.370418
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -102.995
flat angles P-C4'-P energy: -79.843
tors. eta vs tors. theta energy: -135.994
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: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1601.613817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.613817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.613817 (E_RNA)
where:
Base-Base interactions energy: -1122.431
where: short stacking energy: -465.049
Base-Backbone interact. energy: 1.056
local terms energy: -480.238573
where:
bonds (distance) C4'-P energy: -88.080
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -90.837
flat angles P-C4'-P energy: -68.607
tors. eta vs tors. theta energy: -137.358
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1530.182129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.182129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.182129 (E_RNA)
where:
Base-Base interactions energy: -1079.959
where: short stacking energy: -432.970
Base-Backbone interact. energy: 2.472
local terms energy: -452.694656
where:
bonds (distance) C4'-P energy: -84.425
bonds (distance) P-C4' energy: -98.821
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -61.754
tors. eta vs tors. theta energy: -122.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1333.954456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.954456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.954456 (E_RNA)
where:
Base-Base interactions energy: -898.136
where: short stacking energy: -375.671
Base-Backbone interact. energy: 1.332
local terms energy: -437.151002
where:
bonds (distance) C4'-P energy: -86.770
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -103.162
flat angles P-C4'-P energy: -66.525
tors. eta vs tors. theta energy: -106.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1326.213037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.213037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.213037 (E_RNA)
where:
Base-Base interactions energy: -910.926
where: short stacking energy: -400.628
Base-Backbone interact. energy: -1.360
local terms energy: -413.927129
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -68.253
flat angles C4'-P-C4' energy: -91.009
flat angles P-C4'-P energy: -68.433
tors. eta vs tors. theta energy: -101.240
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -877.338942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.338942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.338942 (E_RNA)
where:
Base-Base interactions energy: -565.513
where: short stacking energy: -254.023
Base-Backbone interact. energy: -2.897
local terms energy: -308.928382
where:
bonds (distance) C4'-P energy: -71.674
bonds (distance) P-C4' energy: -76.350
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -720.039081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.039081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.039081 (E_RNA)
where:
Base-Base interactions energy: -432.751
where: short stacking energy: -186.863
Base-Backbone interact. energy: 1.220
local terms energy: -288.508309
where:
bonds (distance) C4'-P energy: -75.890
bonds (distance) P-C4' energy: -89.133
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -3.329
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1857.811015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.811015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.811015 (E_RNA)
where:
Base-Base interactions energy: -1315.971
where: short stacking energy: -543.132
Base-Backbone interact. energy: -2.144
local terms energy: -539.696039
where:
bonds (distance) C4'-P energy: -87.960
bonds (distance) P-C4' energy: -96.977
flat angles C4'-P-C4' energy: -117.444
flat angles P-C4'-P energy: -78.561
tors. eta vs tors. theta energy: -158.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1788.444725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.444725 (E_RNA)
where:
Base-Base interactions energy: -1258.867
where: short stacking energy: -489.590
Base-Backbone interact. energy: -3.401
local terms energy: -526.176505
where:
bonds (distance) C4'-P energy: -100.372
bonds (distance) P-C4' energy: -105.527
flat angles C4'-P-C4' energy: -101.902
flat angles P-C4'-P energy: -70.850
tors. eta vs tors. theta energy: -147.526
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1750.378113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.378113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.378113 (E_RNA)
where:
Base-Base interactions energy: -1233.572
where: short stacking energy: -514.499
Base-Backbone interact. energy: -1.038
local terms energy: -515.767832
where:
bonds (distance) C4'-P energy: -89.914
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -120.222
flat angles P-C4'-P energy: -74.696
tors. eta vs tors. theta energy: -140.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1671.757462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.757462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.757462 (E_RNA)
where:
Base-Base interactions energy: -1184.331
where: short stacking energy: -484.494
Base-Backbone interact. energy: -1.580
local terms energy: -485.846291
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -94.679
flat angles C4'-P-C4' energy: -92.387
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -133.991
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: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1680.297929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.297929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.297929 (E_RNA)
where:
Base-Base interactions energy: -1167.172
where: short stacking energy: -500.629
Base-Backbone interact. energy: -1.676
local terms energy: -511.450164
where:
bonds (distance) C4'-P energy: -85.291
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -112.496
flat angles P-C4'-P energy: -83.780
tors. eta vs tors. theta energy: -140.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1557.663238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.663238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.663238 (E_RNA)
where:
Base-Base interactions energy: -1111.722
where: short stacking energy: -461.123
Base-Backbone interact. energy: -1.335
local terms energy: -444.605394
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -73.260
flat angles C4'-P-C4' energy: -92.796
flat angles P-C4'-P energy: -76.404
tors. eta vs tors. theta energy: -121.700
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: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1333.926896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.926896 (E_RNA)
where:
Base-Base interactions energy: -924.758
where: short stacking energy: -375.068
Base-Backbone interact. energy: 1.394
local terms energy: -410.563587
where:
bonds (distance) C4'-P energy: -78.837
bonds (distance) P-C4' energy: -94.515
flat angles C4'-P-C4' energy: -94.107
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -90.659
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: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1290.115979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.115979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.115979 (E_RNA)
where:
Base-Base interactions energy: -877.346
where: short stacking energy: -371.131
Base-Backbone interact. energy: -1.174
local terms energy: -411.595527
where:
bonds (distance) C4'-P energy: -76.201
bonds (distance) P-C4' energy: -73.377
flat angles C4'-P-C4' energy: -102.155
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -100.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -751.002785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.002785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.002785 (E_RNA)
where:
Base-Base interactions energy: -458.328
where: short stacking energy: -212.092
Base-Backbone interact. energy: -0.906
local terms energy: -291.769381
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -86.640
flat angles P-C4'-P energy: -47.940
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -711.545963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.545963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.545963 (E_RNA)
where:
Base-Base interactions energy: -422.849
where: short stacking energy: -188.891
Base-Backbone interact. energy: -3.578
local terms energy: -285.119345
where:
bonds (distance) C4'-P energy: -85.566
bonds (distance) P-C4' energy: -75.055
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1866.117135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.117135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.117135 (E_RNA)
where:
Base-Base interactions energy: -1328.936
where: short stacking energy: -529.162
Base-Backbone interact. energy: -1.603
local terms energy: -535.578595
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -104.993
flat angles C4'-P-C4' energy: -108.173
flat angles P-C4'-P energy: -80.674
tors. eta vs tors. theta energy: -155.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1804.452449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.452449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.452449 (E_RNA)
where:
Base-Base interactions energy: -1262.906
where: short stacking energy: -507.218
Base-Backbone interact. energy: -2.995
local terms energy: -538.551296
where:
bonds (distance) C4'-P energy: -92.685
bonds (distance) P-C4' energy: -108.450
flat angles C4'-P-C4' energy: -104.816
flat angles P-C4'-P energy: -83.206
tors. eta vs tors. theta energy: -149.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1771.463649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.463649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.463649 (E_RNA)
where:
Base-Base interactions energy: -1260.182
where: short stacking energy: -525.812
Base-Backbone interact. energy: -0.926
local terms energy: -510.355728
where:
bonds (distance) C4'-P energy: -96.423
bonds (distance) P-C4' energy: -90.490
flat angles C4'-P-C4' energy: -102.144
flat angles P-C4'-P energy: -78.524
tors. eta vs tors. theta energy: -142.775
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: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1679.630831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.630831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.630831 (E_RNA)
where:
Base-Base interactions energy: -1188.054
where: short stacking energy: -484.571
Base-Backbone interact. energy: -0.846
local terms energy: -490.730579
where:
bonds (distance) C4'-P energy: -92.193
bonds (distance) P-C4' energy: -95.350
flat angles C4'-P-C4' energy: -102.502
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -125.907
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: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1654.658294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.658294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.658294 (E_RNA)
where:
Base-Base interactions energy: -1154.671
where: short stacking energy: -501.010
Base-Backbone interact. energy: -3.792
local terms energy: -496.195069
where:
bonds (distance) C4'-P energy: -77.419
bonds (distance) P-C4' energy: -81.938
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -77.101
tors. eta vs tors. theta energy: -147.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1576.684287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.684287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.684287 (E_RNA)
where:
Base-Base interactions energy: -1110.008
where: short stacking energy: -450.553
Base-Backbone interact. energy: -1.307
local terms energy: -465.369021
where:
bonds (distance) C4'-P energy: -84.766
bonds (distance) P-C4' energy: -90.095
flat angles C4'-P-C4' energy: -104.571
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -123.305
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: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1353.655454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.655454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.655454 (E_RNA)
where:
Base-Base interactions energy: -936.231
where: short stacking energy: -401.113
Base-Backbone interact. energy: -0.434
local terms energy: -416.989999
where:
bonds (distance) C4'-P energy: -82.981
bonds (distance) P-C4' energy: -84.633
flat angles C4'-P-C4' energy: -90.291
flat angles P-C4'-P energy: -69.258
tors. eta vs tors. theta energy: -89.826
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: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1291.917000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.917000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.917000 (E_RNA)
where:
Base-Base interactions energy: -899.941
where: short stacking energy: -384.433
Base-Backbone interact. energy: -2.564
local terms energy: -389.412458
where:
bonds (distance) C4'-P energy: -80.036
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -86.652
flat angles P-C4'-P energy: -56.012
tors. eta vs tors. theta energy: -98.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -751.349211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.349211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.349211 (E_RNA)
where:
Base-Base interactions energy: -457.345
where: short stacking energy: -206.202
Base-Backbone interact. energy: -0.916
local terms energy: -293.088598
where:
bonds (distance) C4'-P energy: -85.229
bonds (distance) P-C4' energy: -86.507
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -716.014933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.014933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.014933 (E_RNA)
where:
Base-Base interactions energy: -426.540
where: short stacking energy: -194.502
Base-Backbone interact. energy: 4.522
local terms energy: -293.996893
where:
bonds (distance) C4'-P energy: -87.103
bonds (distance) P-C4' energy: -77.923
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -18.883
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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1854.078629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.078629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.078629 (E_RNA)
where:
Base-Base interactions energy: -1320.047
where: short stacking energy: -521.754
Base-Backbone interact. energy: -2.968
local terms energy: -531.063187
where:
bonds (distance) C4'-P energy: -97.003
bonds (distance) P-C4' energy: -95.950
flat angles C4'-P-C4' energy: -113.088
flat angles P-C4'-P energy: -78.288
tors. eta vs tors. theta energy: -146.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1810.203485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.203485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.203485 (E_RNA)
where:
Base-Base interactions energy: -1295.661
where: short stacking energy: -530.073
Base-Backbone interact. energy: -1.948
local terms energy: -512.594975
where:
bonds (distance) C4'-P energy: -83.377
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -105.646
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -155.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1758.811872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.811872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.811872 (E_RNA)
where:
Base-Base interactions energy: -1237.504
where: short stacking energy: -523.696
Base-Backbone interact. energy: 2.028
local terms energy: -523.335676
where:
bonds (distance) C4'-P energy: -88.553
bonds (distance) P-C4' energy: -95.665
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -149.424
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: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1687.227287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.227287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.227287 (E_RNA)
where:
Base-Base interactions energy: -1176.436
where: short stacking energy: -480.819
Base-Backbone interact. energy: 3.009
local terms energy: -513.800705
where:
bonds (distance) C4'-P energy: -98.142
bonds (distance) P-C4' energy: -99.723
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -74.479
tors. eta vs tors. theta energy: -132.982
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1626.135996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.135996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.135996 (E_RNA)
where:
Base-Base interactions energy: -1147.760
where: short stacking energy: -480.939
Base-Backbone interact. energy: -0.437
local terms energy: -477.939121
where:
bonds (distance) C4'-P energy: -84.761
bonds (distance) P-C4' energy: -88.313
flat angles C4'-P-C4' energy: -106.960
flat angles P-C4'-P energy: -69.913
tors. eta vs tors. theta energy: -127.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1596.433187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.433187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.433187 (E_RNA)
where:
Base-Base interactions energy: -1136.313
where: short stacking energy: -468.056
Base-Backbone interact. energy: 0.229
local terms energy: -460.349375
where:
bonds (distance) C4'-P energy: -83.920
bonds (distance) P-C4' energy: -89.075
flat angles C4'-P-C4' energy: -101.129
flat angles P-C4'-P energy: -56.170
tors. eta vs tors. theta energy: -130.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1408.991617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.991617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.991617 (E_RNA)
where:
Base-Base interactions energy: -975.139
where: short stacking energy: -415.991
Base-Backbone interact. energy: -0.560
local terms energy: -433.292766
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -96.962
flat angles P-C4'-P energy: -57.325
tors. eta vs tors. theta energy: -114.841
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1271.766628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.766628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.766628 (E_RNA)
where:
Base-Base interactions energy: -857.757
where: short stacking energy: -356.820
Base-Backbone interact. energy: -1.424
local terms energy: -412.585416
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -96.085
flat angles C4'-P-C4' energy: -96.193
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -87.563
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: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -684.285929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.285929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.285929 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -179.058
Base-Backbone interact. energy: 3.672
local terms energy: -297.122087
where:
bonds (distance) C4'-P energy: -92.561
bonds (distance) P-C4' energy: -80.916
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: 5.819
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: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -717.975410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.975410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.975410 (E_RNA)
where:
Base-Base interactions energy: -423.873
where: short stacking energy: -210.002
Base-Backbone interact. energy: 2.472
local terms energy: -296.573771
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -73.460
flat angles C4'-P-C4' energy: -77.407
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -36.385
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1850.744615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.744615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.744615 (E_RNA)
where:
Base-Base interactions energy: -1311.080
where: short stacking energy: -516.478
Base-Backbone interact. energy: -2.419
local terms energy: -537.245516
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -99.430
flat angles C4'-P-C4' energy: -116.678
flat angles P-C4'-P energy: -87.330
tors. eta vs tors. theta energy: -144.531
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: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1793.537238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.537238 (E_RNA)
where:
Base-Base interactions energy: -1272.270
where: short stacking energy: -529.322
Base-Backbone interact. energy: -0.784
local terms energy: -520.482820
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -111.549
flat angles C4'-P-C4' energy: -101.943
flat angles P-C4'-P energy: -80.406
tors. eta vs tors. theta energy: -146.985
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: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1757.150421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.150421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.150421 (E_RNA)
where:
Base-Base interactions energy: -1237.482
where: short stacking energy: -512.757
Base-Backbone interact. energy: -1.714
local terms energy: -517.954592
where:
bonds (distance) C4'-P energy: -89.334
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -117.027
flat angles P-C4'-P energy: -78.382
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: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1647.597852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.597852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.597852 (E_RNA)
where:
Base-Base interactions energy: -1172.918
where: short stacking energy: -470.694
Base-Backbone interact. energy: -0.346
local terms energy: -474.333819
where:
bonds (distance) C4'-P energy: -84.658
bonds (distance) P-C4' energy: -80.177
flat angles C4'-P-C4' energy: -108.660
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -129.145
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: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1632.607950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.607950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.607950 (E_RNA)
where:
Base-Base interactions energy: -1135.026
where: short stacking energy: -460.935
Base-Backbone interact. energy: 0.136
local terms energy: -497.717710
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -98.147
flat angles P-C4'-P energy: -73.791
tors. eta vs tors. theta energy: -132.507
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: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1558.050222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.050222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.050222 (E_RNA)
where:
Base-Base interactions energy: -1111.788
where: short stacking energy: -456.777
Base-Backbone interact. energy: -0.530
local terms energy: -445.732180
where:
bonds (distance) C4'-P energy: -72.115
bonds (distance) P-C4' energy: -92.105
flat angles C4'-P-C4' energy: -97.828
flat angles P-C4'-P energy: -57.486
tors. eta vs tors. theta energy: -126.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1426.229002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.229002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.229002 (E_RNA)
where:
Base-Base interactions energy: -967.341
where: short stacking energy: -414.933
Base-Backbone interact. energy: 6.684
local terms energy: -465.571402
where:
bonds (distance) C4'-P energy: -80.602
bonds (distance) P-C4' energy: -94.758
flat angles C4'-P-C4' energy: -109.341
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -110.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1291.780636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.780636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.780636 (E_RNA)
where:
Base-Base interactions energy: -889.829
where: short stacking energy: -361.550
Base-Backbone interact. energy: -1.786
local terms energy: -400.164968
where:
bonds (distance) C4'-P energy: -77.613
bonds (distance) P-C4' energy: -86.383
flat angles C4'-P-C4' energy: -88.285
flat angles P-C4'-P energy: -64.135
tors. eta vs tors. theta energy: -83.748
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: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -771.367898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.367898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.367898 (E_RNA)
where:
Base-Base interactions energy: -445.266
where: short stacking energy: -243.616
Base-Backbone interact. energy: -0.345
local terms energy: -325.756401
where:
bonds (distance) C4'-P energy: -80.504
bonds (distance) P-C4' energy: -89.428
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -56.832
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -681.952828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.952828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.952828 (E_RNA)
where:
Base-Base interactions energy: -406.671
where: short stacking energy: -201.102
Base-Backbone interact. energy: -2.089
local terms energy: -273.193261
where:
bonds (distance) C4'-P energy: -78.796
bonds (distance) P-C4' energy: -73.510
flat angles C4'-P-C4' energy: -64.696
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1865.918815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.918815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.918815 (E_RNA)
where:
Base-Base interactions energy: -1315.328
where: short stacking energy: -536.470
Base-Backbone interact. energy: -3.193
local terms energy: -547.397767
where:
bonds (distance) C4'-P energy: -97.798
bonds (distance) P-C4' energy: -90.916
flat angles C4'-P-C4' energy: -117.704
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -155.402
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: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1799.414940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.414940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.414940 (E_RNA)
where:
Base-Base interactions energy: -1271.818
where: short stacking energy: -519.871
Base-Backbone interact. energy: 1.404
local terms energy: -529.000512
where:
bonds (distance) C4'-P energy: -96.392
bonds (distance) P-C4' energy: -98.401
flat angles C4'-P-C4' energy: -108.724
flat angles P-C4'-P energy: -79.564
tors. eta vs tors. theta energy: -145.920
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1771.908098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.908098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.908098 (E_RNA)
where:
Base-Base interactions energy: -1271.107
where: short stacking energy: -528.013
Base-Backbone interact. energy: -0.726
local terms energy: -500.076013
where:
bonds (distance) C4'-P energy: -77.390
bonds (distance) P-C4' energy: -80.641
flat angles C4'-P-C4' energy: -111.448
flat angles P-C4'-P energy: -75.939
tors. eta vs tors. theta energy: -154.659
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1706.794155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.794155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.794155 (E_RNA)
where:
Base-Base interactions energy: -1201.397
where: short stacking energy: -509.159
Base-Backbone interact. energy: -2.400
local terms energy: -502.996601
where:
bonds (distance) C4'-P energy: -84.171
bonds (distance) P-C4' energy: -95.102
flat angles C4'-P-C4' energy: -97.229
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -144.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1643.530497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.530497 (E_RNA)
where:
Base-Base interactions energy: -1154.529
where: short stacking energy: -469.444
Base-Backbone interact. energy: -4.170
local terms energy: -484.831636
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -87.809
flat angles C4'-P-C4' energy: -112.519
flat angles P-C4'-P energy: -76.480
tors. eta vs tors. theta energy: -128.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1614.772770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.772770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.772770 (E_RNA)
where:
Base-Base interactions energy: -1165.921
where: short stacking energy: -471.103
Base-Backbone interact. energy: -0.225
local terms energy: -448.626447
where:
bonds (distance) C4'-P energy: -85.217
bonds (distance) P-C4' energy: -88.220
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -124.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1389.232198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.232198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.232198 (E_RNA)
where:
Base-Base interactions energy: -920.697
where: short stacking energy: -394.256
Base-Backbone interact. energy: -1.375
local terms energy: -467.160231
where:
bonds (distance) C4'-P energy: -88.178
bonds (distance) P-C4' energy: -93.048
flat angles C4'-P-C4' energy: -104.984
flat angles P-C4'-P energy: -64.306
tors. eta vs tors. theta energy: -116.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1282.117257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.117257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.117257 (E_RNA)
where:
Base-Base interactions energy: -861.724
where: short stacking energy: -344.737
Base-Backbone interact. energy: -4.653
local terms energy: -415.739751
where:
bonds (distance) C4'-P energy: -79.613
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -95.504
flat angles P-C4'-P energy: -51.152
tors. eta vs tors. theta energy: -93.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -754.164390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.164390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.164390 (E_RNA)
where:
Base-Base interactions energy: -423.918
where: short stacking energy: -205.782
Base-Backbone interact. energy: 4.135
local terms energy: -334.381737
where:
bonds (distance) C4'-P energy: -69.060
bonds (distance) P-C4' energy: -103.188
flat angles C4'-P-C4' energy: -80.334
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -695.890797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.890797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.890797 (E_RNA)
where:
Base-Base interactions energy: -410.670
where: short stacking energy: -190.329
Base-Backbone interact. energy: 0.670
local terms energy: -285.890622
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -63.279
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1847.731634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.731634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.731634 (E_RNA)
where:
Base-Base interactions energy: -1308.635
where: short stacking energy: -528.609
Base-Backbone interact. energy: -2.698
local terms energy: -536.397821
where:
bonds (distance) C4'-P energy: -90.984
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -86.220
tors. eta vs tors. theta energy: -147.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1812.575556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.575556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.575556 (E_RNA)
where:
Base-Base interactions energy: -1263.945
where: short stacking energy: -532.457
Base-Backbone interact. energy: -0.787
local terms energy: -547.842861
where:
bonds (distance) C4'-P energy: -86.492
bonds (distance) P-C4' energy: -106.963
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -83.464
tors. eta vs tors. theta energy: -158.458
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: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1783.629150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.629150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.629150 (E_RNA)
where:
Base-Base interactions energy: -1258.576
where: short stacking energy: -526.919
Base-Backbone interact. energy: -0.954
local terms energy: -524.099213
where:
bonds (distance) C4'-P energy: -93.677
bonds (distance) P-C4' energy: -91.597
flat angles C4'-P-C4' energy: -112.369
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -152.775
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1722.258478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.258478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.258478 (E_RNA)
where:
Base-Base interactions energy: -1225.780
where: short stacking energy: -512.127
Base-Backbone interact. energy: 1.267
local terms energy: -497.745120
where:
bonds (distance) C4'-P energy: -81.702
bonds (distance) P-C4' energy: -89.503
flat angles C4'-P-C4' energy: -101.243
flat angles P-C4'-P energy: -73.268
tors. eta vs tors. theta energy: -152.029
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: 260
Temperature: 1.100000
Total energy: -1635.435577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.435577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.435577 (E_RNA)
where:
Base-Base interactions energy: -1159.692
where: short stacking energy: -477.538
Base-Backbone interact. energy: 3.559
local terms energy: -479.302629
where:
bonds (distance) C4'-P energy: -84.100
bonds (distance) P-C4' energy: -90.988
flat angles C4'-P-C4' energy: -99.032
flat angles P-C4'-P energy: -71.596
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: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1559.902730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.902730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.902730 (E_RNA)
where:
Base-Base interactions energy: -1103.416
where: short stacking energy: -455.241
Base-Backbone interact. energy: -1.722
local terms energy: -454.764693
where:
bonds (distance) C4'-P energy: -80.283
bonds (distance) P-C4' energy: -91.944
flat angles C4'-P-C4' energy: -96.245
flat angles P-C4'-P energy: -65.621
tors. eta vs tors. theta energy: -120.672
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: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1412.611553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.611553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.611553 (E_RNA)
where:
Base-Base interactions energy: -958.108
where: short stacking energy: -397.404
Base-Backbone interact. energy: 0.311
local terms energy: -454.814428
where:
bonds (distance) C4'-P energy: -85.333
bonds (distance) P-C4' energy: -88.755
flat angles C4'-P-C4' energy: -99.820
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: -105.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1311.848225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.848225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.848225 (E_RNA)
where:
Base-Base interactions energy: -904.054
where: short stacking energy: -382.495
Base-Backbone interact. energy: -1.282
local terms energy: -406.512619
where:
bonds (distance) C4'-P energy: -83.637
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -89.278
flat angles P-C4'-P energy: -61.692
tors. eta vs tors. theta energy: -93.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -803.375265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.375265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.375265 (E_RNA)
where:
Base-Base interactions energy: -485.026
where: short stacking energy: -210.206
Base-Backbone interact. energy: -3.631
local terms energy: -314.718367
where:
bonds (distance) C4'-P energy: -81.680
bonds (distance) P-C4' energy: -84.190
flat angles C4'-P-C4' energy: -78.830
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: -29.109
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: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -665.567793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.567793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.567793 (E_RNA)
where:
Base-Base interactions energy: -379.966
where: short stacking energy: -185.346
Base-Backbone interact. energy: 4.136
local terms energy: -289.736869
where:
bonds (distance) C4'-P energy: -74.722
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -38.283
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1825.037437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.037437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.037437 (E_RNA)
where:
Base-Base interactions energy: -1295.584
where: short stacking energy: -510.610
Base-Backbone interact. energy: -0.230
local terms energy: -529.223697
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -95.381
flat angles C4'-P-C4' energy: -106.683
flat angles P-C4'-P energy: -76.810
tors. eta vs tors. theta energy: -145.457
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1827.015745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.015745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.015745 (E_RNA)
where:
Base-Base interactions energy: -1282.116
where: short stacking energy: -539.658
Base-Backbone interact. energy: -0.979
local terms energy: -543.920312
where:
bonds (distance) C4'-P energy: -95.423
bonds (distance) P-C4' energy: -95.674
flat angles C4'-P-C4' energy: -117.967
flat angles P-C4'-P energy: -86.987
tors. eta vs tors. theta energy: -147.869
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1758.033376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.033376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.033376 (E_RNA)
where:
Base-Base interactions energy: -1233.820
where: short stacking energy: -519.657
Base-Backbone interact. energy: -0.818
local terms energy: -523.395798
where:
bonds (distance) C4'-P energy: -90.771
bonds (distance) P-C4' energy: -107.806
flat angles C4'-P-C4' energy: -106.065
flat angles P-C4'-P energy: -71.681
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: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1693.641191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.641191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.641191 (E_RNA)
where:
Base-Base interactions energy: -1210.333
where: short stacking energy: -492.738
Base-Backbone interact. energy: -0.376
local terms energy: -482.932986
where:
bonds (distance) C4'-P energy: -82.820
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -106.268
flat angles P-C4'-P energy: -66.531
tors. eta vs tors. theta energy: -143.863
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: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1619.585484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.585484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.585484 (E_RNA)
where:
Base-Base interactions energy: -1138.159
where: short stacking energy: -480.042
Base-Backbone interact. energy: -1.690
local terms energy: -479.737212
where:
bonds (distance) C4'-P energy: -76.029
bonds (distance) P-C4' energy: -101.111
flat angles C4'-P-C4' energy: -104.983
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -132.689
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: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1509.374654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.374654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.374654 (E_RNA)
where:
Base-Base interactions energy: -1058.327
where: short stacking energy: -466.994
Base-Backbone interact. energy: -0.651
local terms energy: -450.396989
where:
bonds (distance) C4'-P energy: -86.837
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -98.990
flat angles P-C4'-P energy: -53.168
tors. eta vs tors. theta energy: -130.986
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: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1468.765213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.765213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.765213 (E_RNA)
where:
Base-Base interactions energy: -1017.194
where: short stacking energy: -409.191
Base-Backbone interact. energy: -3.045
local terms energy: -448.525736
where:
bonds (distance) C4'-P energy: -74.643
bonds (distance) P-C4' energy: -85.097
flat angles C4'-P-C4' energy: -100.011
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -114.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1300.909669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.909669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.909669 (E_RNA)
where:
Base-Base interactions energy: -938.995
where: short stacking energy: -403.189
Base-Backbone interact. energy: -0.123
local terms energy: -361.791760
where:
bonds (distance) C4'-P energy: -69.877
bonds (distance) P-C4' energy: -81.322
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -88.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -835.928822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.928822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.928822 (E_RNA)
where:
Base-Base interactions energy: -542.716
where: short stacking energy: -253.726
Base-Backbone interact. energy: -0.043
local terms energy: -293.169579
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -78.234
flat angles C4'-P-C4' energy: -72.681
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -37.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -742.056474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.056474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.056474 (E_RNA)
where:
Base-Base interactions energy: -451.382
where: short stacking energy: -208.190
Base-Backbone interact. energy: -0.467
local terms energy: -290.206668
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -77.270
flat angles C4'-P-C4' energy: -74.061
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1846.553881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.553881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.553881 (E_RNA)
where:
Base-Base interactions energy: -1314.426
where: short stacking energy: -534.295
Base-Backbone interact. energy: -3.071
local terms energy: -529.056864
where:
bonds (distance) C4'-P energy: -101.883
bonds (distance) P-C4' energy: -90.002
flat angles C4'-P-C4' energy: -110.283
flat angles P-C4'-P energy: -83.530
tors. eta vs tors. theta energy: -143.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1805.731593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.731593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.731593 (E_RNA)
where:
Base-Base interactions energy: -1288.584
where: short stacking energy: -525.712
Base-Backbone interact. energy: -3.000
local terms energy: -514.147486
where:
bonds (distance) C4'-P energy: -94.326
bonds (distance) P-C4' energy: -85.182
flat angles C4'-P-C4' energy: -115.763
flat angles P-C4'-P energy: -71.744
tors. eta vs tors. theta energy: -147.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1766.345311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.345311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.345311 (E_RNA)
where:
Base-Base interactions energy: -1221.010
where: short stacking energy: -507.998
Base-Backbone interact. energy: -1.644
local terms energy: -543.690576
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -115.687
flat angles P-C4'-P energy: -69.957
tors. eta vs tors. theta energy: -158.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1693.691269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.691269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.691269 (E_RNA)
where:
Base-Base interactions energy: -1208.463
where: short stacking energy: -504.969
Base-Backbone interact. energy: -1.995
local terms energy: -483.233770
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -91.203
flat angles C4'-P-C4' energy: -102.275
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -146.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1632.308870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.308870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.308870 (E_RNA)
where:
Base-Base interactions energy: -1165.030
where: short stacking energy: -489.868
Base-Backbone interact. energy: 0.265
local terms energy: -467.543852
where:
bonds (distance) C4'-P energy: -74.187
bonds (distance) P-C4' energy: -71.847
flat angles C4'-P-C4' energy: -106.885
flat angles P-C4'-P energy: -72.623
tors. eta vs tors. theta energy: -142.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1545.879984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.879984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.879984 (E_RNA)
where:
Base-Base interactions energy: -1080.473
where: short stacking energy: -472.795
Base-Backbone interact. energy: -0.487
local terms energy: -464.919367
where:
bonds (distance) C4'-P energy: -85.790
bonds (distance) P-C4' energy: -64.557
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -82.855
tors. eta vs tors. theta energy: -131.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1446.227659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.227659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.227659 (E_RNA)
where:
Base-Base interactions energy: -1019.599
where: short stacking energy: -424.764
Base-Backbone interact. energy: 2.766
local terms energy: -429.394751
where:
bonds (distance) C4'-P energy: -88.489
bonds (distance) P-C4' energy: -71.792
flat angles C4'-P-C4' energy: -95.479
flat angles P-C4'-P energy: -63.302
tors. eta vs tors. theta energy: -110.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1300.124936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.124936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.124936 (E_RNA)
where:
Base-Base interactions energy: -923.906
where: short stacking energy: -364.555
Base-Backbone interact. energy: -1.762
local terms energy: -374.456764
where:
bonds (distance) C4'-P energy: -69.093
bonds (distance) P-C4' energy: -85.550
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -86.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -819.903021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.903021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.903021 (E_RNA)
where:
Base-Base interactions energy: -524.080
where: short stacking energy: -249.915
Base-Backbone interact. energy: 1.590
local terms energy: -297.413635
where:
bonds (distance) C4'-P energy: -63.421
bonds (distance) P-C4' energy: -87.421
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -735.494971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.494971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.494971 (E_RNA)
where:
Base-Base interactions energy: -460.935
where: short stacking energy: -211.063
Base-Backbone interact. energy: 1.427
local terms energy: -275.987227
where:
bonds (distance) C4'-P energy: -69.796
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1850.009069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.009069 (E_RNA)
where:
Base-Base interactions energy: -1308.805
where: short stacking energy: -543.383
Base-Backbone interact. energy: -3.038
local terms energy: -538.166437
where:
bonds (distance) C4'-P energy: -94.905
bonds (distance) P-C4' energy: -95.523
flat angles C4'-P-C4' energy: -114.696
flat angles P-C4'-P energy: -83.272
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: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1816.863847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.863847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.863847 (E_RNA)
where:
Base-Base interactions energy: -1291.145
where: short stacking energy: -528.893
Base-Backbone interact. energy: 0.715
local terms energy: -526.434403
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -100.442
flat angles C4'-P-C4' energy: -114.829
flat angles P-C4'-P energy: -71.644
tors. eta vs tors. theta energy: -153.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1755.740258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.740258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.740258 (E_RNA)
where:
Base-Base interactions energy: -1253.084
where: short stacking energy: -503.508
Base-Backbone interact. energy: -1.988
local terms energy: -500.667881
where:
bonds (distance) C4'-P energy: -85.051
bonds (distance) P-C4' energy: -92.991
flat angles C4'-P-C4' energy: -112.346
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -140.982
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: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1686.481978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.481978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.481978 (E_RNA)
where:
Base-Base interactions energy: -1185.208
where: short stacking energy: -488.248
Base-Backbone interact. energy: -2.462
local terms energy: -498.812437
where:
bonds (distance) C4'-P energy: -77.825
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -114.735
flat angles P-C4'-P energy: -72.525
tors. eta vs tors. theta energy: -143.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1613.581458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.581458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.581458 (E_RNA)
where:
Base-Base interactions energy: -1128.642
where: short stacking energy: -465.145
Base-Backbone interact. energy: 0.380
local terms energy: -485.319986
where:
bonds (distance) C4'-P energy: -80.768
bonds (distance) P-C4' energy: -87.283
flat angles C4'-P-C4' energy: -110.060
flat angles P-C4'-P energy: -74.515
tors. eta vs tors. theta energy: -132.694
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: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1468.532619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.532619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.532619 (E_RNA)
where:
Base-Base interactions energy: -1023.974
where: short stacking energy: -430.130
Base-Backbone interact. energy: -0.321
local terms energy: -444.237185
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -77.099
flat angles C4'-P-C4' energy: -94.092
flat angles P-C4'-P energy: -65.891
tors. eta vs tors. theta energy: -120.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1463.400217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.400217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.400217 (E_RNA)
where:
Base-Base interactions energy: -1007.267
where: short stacking energy: -410.068
Base-Backbone interact. energy: -1.997
local terms energy: -454.136717
where:
bonds (distance) C4'-P energy: -86.552
bonds (distance) P-C4' energy: -89.214
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -69.699
tors. eta vs tors. theta energy: -110.646
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1274.641022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.641022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.641022 (E_RNA)
where:
Base-Base interactions energy: -884.121
where: short stacking energy: -382.024
Base-Backbone interact. energy: 1.291
local terms energy: -391.811010
where:
bonds (distance) C4'-P energy: -73.437
bonds (distance) P-C4' energy: -83.681
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -94.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -810.750124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.750124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.750124 (E_RNA)
where:
Base-Base interactions energy: -488.841
where: short stacking energy: -229.647
Base-Backbone interact. energy: 1.962
local terms energy: -323.871489
where:
bonds (distance) C4'-P energy: -85.980
bonds (distance) P-C4' energy: -78.296
flat angles C4'-P-C4' energy: -69.816
flat angles P-C4'-P energy: -63.517
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -698.472383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.472383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.472383 (E_RNA)
where:
Base-Base interactions energy: -427.589
where: short stacking energy: -193.521
Base-Backbone interact. energy: 0.365
local terms energy: -271.248129
where:
bonds (distance) C4'-P energy: -79.898
bonds (distance) P-C4' energy: -64.860
flat angles C4'-P-C4' energy: -71.574
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -17.940
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: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1854.629094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.629094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.629094 (E_RNA)
where:
Base-Base interactions energy: -1311.588
where: short stacking energy: -540.977
Base-Backbone interact. energy: -0.917
local terms energy: -542.123828
where:
bonds (distance) C4'-P energy: -98.809
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -116.866
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -155.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1781.302634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.302634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.302634 (E_RNA)
where:
Base-Base interactions energy: -1262.670
where: short stacking energy: -518.699
Base-Backbone interact. energy: -0.603
local terms energy: -518.028898
where:
bonds (distance) C4'-P energy: -94.655
bonds (distance) P-C4' energy: -82.703
flat angles C4'-P-C4' energy: -109.998
flat angles P-C4'-P energy: -81.213
tors. eta vs tors. theta energy: -149.460
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1777.367760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.367760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.367760 (E_RNA)
where:
Base-Base interactions energy: -1283.866
where: short stacking energy: -517.231
Base-Backbone interact. energy: 0.742
local terms energy: -494.244014
where:
bonds (distance) C4'-P energy: -77.757
bonds (distance) P-C4' energy: -93.836
flat angles C4'-P-C4' energy: -105.522
flat angles P-C4'-P energy: -75.788
tors. eta vs tors. theta energy: -141.341
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: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1699.591934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.591934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.591934 (E_RNA)
where:
Base-Base interactions energy: -1187.608
where: short stacking energy: -497.461
Base-Backbone interact. energy: -2.982
local terms energy: -509.002150
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -87.421
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -70.950
tors. eta vs tors. theta energy: -143.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1597.298688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.298688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.298688 (E_RNA)
where:
Base-Base interactions energy: -1128.348
where: short stacking energy: -469.652
Base-Backbone interact. energy: 0.029
local terms energy: -468.979927
where:
bonds (distance) C4'-P energy: -81.678
bonds (distance) P-C4' energy: -84.917
flat angles C4'-P-C4' energy: -110.151
flat angles P-C4'-P energy: -64.689
tors. eta vs tors. theta energy: -127.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1462.234959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.234959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.234959 (E_RNA)
where:
Base-Base interactions energy: -1003.790
where: short stacking energy: -434.662
Base-Backbone interact. energy: -1.979
local terms energy: -456.466119
where:
bonds (distance) C4'-P energy: -89.813
bonds (distance) P-C4' energy: -83.987
flat angles C4'-P-C4' energy: -100.884
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -115.584
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: 264
Temperature: 1.200000
Total energy: -1497.808486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.808486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.808486 (E_RNA)
where:
Base-Base interactions energy: -1055.190
where: short stacking energy: -422.868
Base-Backbone interact. energy: -2.010
local terms energy: -440.608336
where:
bonds (distance) C4'-P energy: -75.460
bonds (distance) P-C4' energy: -67.821
flat angles C4'-P-C4' energy: -102.425
flat angles P-C4'-P energy: -77.104
tors. eta vs tors. theta energy: -117.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1302.059009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.059009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.059009 (E_RNA)
where:
Base-Base interactions energy: -910.352
where: short stacking energy: -360.327
Base-Backbone interact. energy: -0.534
local terms energy: -391.172769
where:
bonds (distance) C4'-P energy: -69.687
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: -91.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -806.069848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.069848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.069848 (E_RNA)
where:
Base-Base interactions energy: -509.498
where: short stacking energy: -235.472
Base-Backbone interact. energy: -2.088
local terms energy: -294.483838
where:
bonds (distance) C4'-P energy: -66.514
bonds (distance) P-C4' energy: -72.023
flat angles C4'-P-C4' energy: -88.555
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -729.737674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.737674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.737674 (E_RNA)
where:
Base-Base interactions energy: -455.026
where: short stacking energy: -216.004
Base-Backbone interact. energy: -2.687
local terms energy: -272.025015
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -74.525
flat angles C4'-P-C4' energy: -67.441
flat angles P-C4'-P energy: -51.822
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1857.134904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.134904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.134904 (E_RNA)
where:
Base-Base interactions energy: -1307.045
where: short stacking energy: -537.845
Base-Backbone interact. energy: -3.485
local terms energy: -546.604643
where:
bonds (distance) C4'-P energy: -101.971
bonds (distance) P-C4' energy: -103.279
flat angles C4'-P-C4' energy: -113.958
flat angles P-C4'-P energy: -79.958
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: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1797.500921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.500921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.500921 (E_RNA)
where:
Base-Base interactions energy: -1266.459
where: short stacking energy: -517.930
Base-Backbone interact. energy: -3.796
local terms energy: -527.245700
where:
bonds (distance) C4'-P energy: -90.314
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -114.081
flat angles P-C4'-P energy: -79.177
tors. eta vs tors. theta energy: -152.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1776.827901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.827901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.827901 (E_RNA)
where:
Base-Base interactions energy: -1260.738
where: short stacking energy: -526.117
Base-Backbone interact. energy: -1.894
local terms energy: -514.196117
where:
bonds (distance) C4'-P energy: -80.908
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -112.416
flat angles P-C4'-P energy: -75.467
tors. eta vs tors. theta energy: -152.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1690.633477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.633477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.633477 (E_RNA)
where:
Base-Base interactions energy: -1185.974
where: short stacking energy: -474.100
Base-Backbone interact. energy: -1.932
local terms energy: -502.727486
where:
bonds (distance) C4'-P energy: -107.181
bonds (distance) P-C4' energy: -91.652
flat angles C4'-P-C4' energy: -106.568
flat angles P-C4'-P energy: -60.378
tors. eta vs tors. theta energy: -136.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1640.627065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.627065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.627065 (E_RNA)
where:
Base-Base interactions energy: -1156.791
where: short stacking energy: -463.456
Base-Backbone interact. energy: -0.867
local terms energy: -482.969829
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -89.804
flat angles C4'-P-C4' energy: -103.838
flat angles P-C4'-P energy: -70.007
tors. eta vs tors. theta energy: -130.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1557.565130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.565130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.565130 (E_RNA)
where:
Base-Base interactions energy: -1098.196
where: short stacking energy: -446.344
Base-Backbone interact. energy: -1.676
local terms energy: -457.693168
where:
bonds (distance) C4'-P energy: -95.981
bonds (distance) P-C4' energy: -90.804
flat angles C4'-P-C4' energy: -97.457
flat angles P-C4'-P energy: -54.305
tors. eta vs tors. theta energy: -119.145
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1455.056212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.056212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.056212 (E_RNA)
where:
Base-Base interactions energy: -1029.324
where: short stacking energy: -428.933
Base-Backbone interact. energy: -1.670
local terms energy: -424.062497
where:
bonds (distance) C4'-P energy: -83.737
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -104.349
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -118.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1342.893461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.893461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.893461 (E_RNA)
where:
Base-Base interactions energy: -929.199
where: short stacking energy: -368.715
Base-Backbone interact. energy: 2.042
local terms energy: -415.736959
where:
bonds (distance) C4'-P energy: -90.401
bonds (distance) P-C4' energy: -84.869
flat angles C4'-P-C4' energy: -91.858
flat angles P-C4'-P energy: -54.141
tors. eta vs tors. theta energy: -94.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -902.116187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.116187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.116187 (E_RNA)
where:
Base-Base interactions energy: -569.276
where: short stacking energy: -253.791
Base-Backbone interact. energy: 0.872
local terms energy: -333.712015
where:
bonds (distance) C4'-P energy: -81.901
bonds (distance) P-C4' energy: -81.310
flat angles C4'-P-C4' energy: -67.659
flat angles P-C4'-P energy: -50.673
tors. eta vs tors. theta energy: -52.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -724.629725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.629725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.629725 (E_RNA)
where:
Base-Base interactions energy: -435.571
where: short stacking energy: -211.350
Base-Backbone interact. energy: 2.771
local terms energy: -291.829937
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -35.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1849.985712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.985712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.985712 (E_RNA)
where:
Base-Base interactions energy: -1315.249
where: short stacking energy: -550.930
Base-Backbone interact. energy: -2.065
local terms energy: -532.672275
where:
bonds (distance) C4'-P energy: -97.701
bonds (distance) P-C4' energy: -96.830
flat angles C4'-P-C4' energy: -112.050
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -147.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1817.061974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.061974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.061974 (E_RNA)
where:
Base-Base interactions energy: -1290.079
where: short stacking energy: -541.692
Base-Backbone interact. energy: 2.929
local terms energy: -529.911277
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -99.555
flat angles C4'-P-C4' energy: -107.116
flat angles P-C4'-P energy: -75.696
tors. eta vs tors. theta energy: -156.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1758.107074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.107074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.107074 (E_RNA)
where:
Base-Base interactions energy: -1240.656
where: short stacking energy: -547.756
Base-Backbone interact. energy: -2.949
local terms energy: -514.502068
where:
bonds (distance) C4'-P energy: -80.257
bonds (distance) P-C4' energy: -91.182
flat angles C4'-P-C4' energy: -108.933
flat angles P-C4'-P energy: -79.632
tors. eta vs tors. theta energy: -154.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1678.753709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.753709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.753709 (E_RNA)
where:
Base-Base interactions energy: -1189.028
where: short stacking energy: -469.630
Base-Backbone interact. energy: -0.510
local terms energy: -489.216140
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -104.317
flat angles P-C4'-P energy: -71.758
tors. eta vs tors. theta energy: -140.562
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: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1610.985850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.985850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.985850 (E_RNA)
where:
Base-Base interactions energy: -1148.055
where: short stacking energy: -474.507
Base-Backbone interact. energy: -0.601
local terms energy: -462.329753
where:
bonds (distance) C4'-P energy: -87.729
bonds (distance) P-C4' energy: -88.720
flat angles C4'-P-C4' energy: -97.963
flat angles P-C4'-P energy: -54.757
tors. eta vs tors. theta energy: -133.161
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1501.092172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.092172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.092172 (E_RNA)
where:
Base-Base interactions energy: -1060.549
where: short stacking energy: -427.923
Base-Backbone interact. energy: -0.806
local terms energy: -439.736689
where:
bonds (distance) C4'-P energy: -75.338
bonds (distance) P-C4' energy: -92.782
flat angles C4'-P-C4' energy: -93.836
flat angles P-C4'-P energy: -61.103
tors. eta vs tors. theta energy: -116.678
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: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1439.971054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.971054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.971054 (E_RNA)
where:
Base-Base interactions energy: -987.614
where: short stacking energy: -410.340
Base-Backbone interact. energy: 0.213
local terms energy: -452.570402
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -99.956
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -118.677
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1358.605262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.605262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.605262 (E_RNA)
where:
Base-Base interactions energy: -955.831
where: short stacking energy: -384.363
Base-Backbone interact. energy: -0.979
local terms energy: -401.795328
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -94.849
flat angles C4'-P-C4' energy: -83.719
flat angles P-C4'-P energy: -51.836
tors. eta vs tors. theta energy: -98.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -859.460895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.460895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.460895 (E_RNA)
where:
Base-Base interactions energy: -532.569
where: short stacking energy: -254.732
Base-Backbone interact. energy: 1.673
local terms energy: -328.565119
where:
bonds (distance) C4'-P energy: -75.684
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -75.479
flat angles P-C4'-P energy: -53.491
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -769.294481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.294481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.294481 (E_RNA)
where:
Base-Base interactions energy: -469.079
where: short stacking energy: -229.036
Base-Backbone interact. energy: -1.024
local terms energy: -299.191764
where:
bonds (distance) C4'-P energy: -68.798
bonds (distance) P-C4' energy: -76.049
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -36.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1842.088994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.088994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.088994 (E_RNA)
where:
Base-Base interactions energy: -1302.090
where: short stacking energy: -540.792
Base-Backbone interact. energy: -2.922
local terms energy: -537.076268
where:
bonds (distance) C4'-P energy: -99.926
bonds (distance) P-C4' energy: -95.804
flat angles C4'-P-C4' energy: -116.124
flat angles P-C4'-P energy: -76.546
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: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1809.171663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.171663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.171663 (E_RNA)
where:
Base-Base interactions energy: -1298.361
where: short stacking energy: -509.429
Base-Backbone interact. energy: -1.819
local terms energy: -508.991941
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -80.595
flat angles C4'-P-C4' energy: -108.167
flat angles P-C4'-P energy: -82.185
tors. eta vs tors. theta energy: -148.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1772.656143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.656143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.656143 (E_RNA)
where:
Base-Base interactions energy: -1248.799
where: short stacking energy: -515.873
Base-Backbone interact. energy: -0.509
local terms energy: -523.349114
where:
bonds (distance) C4'-P energy: -94.869
bonds (distance) P-C4' energy: -95.494
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -158.085
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: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1666.608528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.608528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.608528 (E_RNA)
where:
Base-Base interactions energy: -1181.388
where: short stacking energy: -485.218
Base-Backbone interact. energy: -1.026
local terms energy: -484.193669
where:
bonds (distance) C4'-P energy: -96.269
bonds (distance) P-C4' energy: -80.176
flat angles C4'-P-C4' energy: -106.730
flat angles P-C4'-P energy: -70.848
tors. eta vs tors. theta energy: -130.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1647.943968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.943968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.943968 (E_RNA)
where:
Base-Base interactions energy: -1185.669
where: short stacking energy: -493.821
Base-Backbone interact. energy: -0.174
local terms energy: -462.100169
where:
bonds (distance) C4'-P energy: -78.887
bonds (distance) P-C4' energy: -93.418
flat angles C4'-P-C4' energy: -89.720
flat angles P-C4'-P energy: -62.825
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: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1525.138878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.138878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.138878 (E_RNA)
where:
Base-Base interactions energy: -1086.984
where: short stacking energy: -440.743
Base-Backbone interact. energy: -1.028
local terms energy: -437.126456
where:
bonds (distance) C4'-P energy: -73.249
bonds (distance) P-C4' energy: -92.250
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -69.750
tors. eta vs tors. theta energy: -111.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1416.424948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.424948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.424948 (E_RNA)
where:
Base-Base interactions energy: -979.421
where: short stacking energy: -410.142
Base-Backbone interact. energy: 0.541
local terms energy: -437.544890
where:
bonds (distance) C4'-P energy: -80.641
bonds (distance) P-C4' energy: -82.534
flat angles C4'-P-C4' energy: -93.305
flat angles P-C4'-P energy: -66.087
tors. eta vs tors. theta energy: -114.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1345.801783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.801783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.801783 (E_RNA)
where:
Base-Base interactions energy: -940.296
where: short stacking energy: -384.503
Base-Backbone interact. energy: -0.903
local terms energy: -404.602473
where:
bonds (distance) C4'-P energy: -73.253
bonds (distance) P-C4' energy: -89.026
flat angles C4'-P-C4' energy: -90.585
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -104.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -966.441292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.441292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.441292 (E_RNA)
where:
Base-Base interactions energy: -654.640
where: short stacking energy: -272.410
Base-Backbone interact. energy: 3.256
local terms energy: -315.057122
where:
bonds (distance) C4'-P energy: -78.038
bonds (distance) P-C4' energy: -74.083
flat angles C4'-P-C4' energy: -77.384
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -52.193
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: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -731.271493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.271493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.271493 (E_RNA)
where:
Base-Base interactions energy: -432.529
where: short stacking energy: -195.752
Base-Backbone interact. energy: 1.806
local terms energy: -300.548522
where:
bonds (distance) C4'-P energy: -67.747
bonds (distance) P-C4' energy: -94.738
flat angles C4'-P-C4' energy: -69.559
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1840.193373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.193373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.193373 (E_RNA)
where:
Base-Base interactions energy: -1294.543
where: short stacking energy: -540.390
Base-Backbone interact. energy: -0.582
local terms energy: -545.068360
where:
bonds (distance) C4'-P energy: -101.140
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -77.666
tors. eta vs tors. theta energy: -155.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1808.334731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.334731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.334731 (E_RNA)
where:
Base-Base interactions energy: -1283.994
where: short stacking energy: -524.227
Base-Backbone interact. energy: -1.557
local terms energy: -522.784383
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -97.048
flat angles C4'-P-C4' energy: -105.437
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -146.987
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: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1764.397698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.397698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.397698 (E_RNA)
where:
Base-Base interactions energy: -1221.635
where: short stacking energy: -537.435
Base-Backbone interact. energy: -2.236
local terms energy: -540.527087
where:
bonds (distance) C4'-P energy: -89.565
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -116.786
flat angles P-C4'-P energy: -83.882
tors. eta vs tors. theta energy: -156.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1653.263597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.263597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.263597 (E_RNA)
where:
Base-Base interactions energy: -1175.234
where: short stacking energy: -470.260
Base-Backbone interact. energy: 1.668
local terms energy: -479.697219
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -68.354
tors. eta vs tors. theta energy: -136.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1617.217771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.217771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.217771 (E_RNA)
where:
Base-Base interactions energy: -1141.192
where: short stacking energy: -454.701
Base-Backbone interact. energy: -2.451
local terms energy: -473.574994
where:
bonds (distance) C4'-P energy: -88.965
bonds (distance) P-C4' energy: -92.059
flat angles C4'-P-C4' energy: -108.416
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -131.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1525.944980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.944980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.944980 (E_RNA)
where:
Base-Base interactions energy: -1077.465
where: short stacking energy: -457.409
Base-Backbone interact. energy: 0.716
local terms energy: -449.196200
where:
bonds (distance) C4'-P energy: -71.508
bonds (distance) P-C4' energy: -84.569
flat angles C4'-P-C4' energy: -93.424
flat angles P-C4'-P energy: -79.444
tors. eta vs tors. theta energy: -120.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1445.016971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.016971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.016971 (E_RNA)
where:
Base-Base interactions energy: -1009.784
where: short stacking energy: -393.207
Base-Backbone interact. energy: -2.224
local terms energy: -433.009003
where:
bonds (distance) C4'-P energy: -81.126
bonds (distance) P-C4' energy: -88.450
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -54.326
tors. eta vs tors. theta energy: -114.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1289.867454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.867454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.867454 (E_RNA)
where:
Base-Base interactions energy: -890.218
where: short stacking energy: -373.844
Base-Backbone interact. energy: -1.358
local terms energy: -398.291439
where:
bonds (distance) C4'-P energy: -81.535
bonds (distance) P-C4' energy: -84.725
flat angles C4'-P-C4' energy: -81.349
flat angles P-C4'-P energy: -48.839
tors. eta vs tors. theta energy: -101.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -964.401952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.401952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.401952 (E_RNA)
where:
Base-Base interactions energy: -621.231
where: short stacking energy: -300.073
Base-Backbone interact. energy: 3.257
local terms energy: -346.427844
where:
bonds (distance) C4'-P energy: -89.875
bonds (distance) P-C4' energy: -84.535
flat angles C4'-P-C4' energy: -70.217
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -56.673
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: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -781.036322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.036322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.036322 (E_RNA)
where:
Base-Base interactions energy: -462.348
where: short stacking energy: -247.971
Base-Backbone interact. energy: -2.272
local terms energy: -316.417092
where:
bonds (distance) C4'-P energy: -72.692
bonds (distance) P-C4' energy: -86.830
flat angles C4'-P-C4' energy: -71.720
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -39.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1857.851186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.851186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.851186 (E_RNA)
where:
Base-Base interactions energy: -1331.000
where: short stacking energy: -564.724
Base-Backbone interact. energy: -1.391
local terms energy: -525.460682
where:
bonds (distance) C4'-P energy: -104.851
bonds (distance) P-C4' energy: -94.756
flat angles C4'-P-C4' energy: -106.481
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -148.694
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: 269
Temperature: 0.950000
Total energy: -1765.195111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.195111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.195111 (E_RNA)
where:
Base-Base interactions energy: -1238.769
where: short stacking energy: -512.158
Base-Backbone interact. energy: -3.686
local terms energy: -522.740196
where:
bonds (distance) C4'-P energy: -87.344
bonds (distance) P-C4' energy: -100.727
flat angles C4'-P-C4' energy: -107.528
flat angles P-C4'-P energy: -80.938
tors. eta vs tors. theta energy: -146.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1755.637720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.637720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.637720 (E_RNA)
where:
Base-Base interactions energy: -1241.716
where: short stacking energy: -512.186
Base-Backbone interact. energy: -2.294
local terms energy: -511.627671
where:
bonds (distance) C4'-P energy: -86.285
bonds (distance) P-C4' energy: -93.170
flat angles C4'-P-C4' energy: -110.582
flat angles P-C4'-P energy: -68.166
tors. eta vs tors. theta energy: -153.424
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: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1687.736019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.736019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.736019 (E_RNA)
where:
Base-Base interactions energy: -1191.732
where: short stacking energy: -479.080
Base-Backbone interact. energy: -2.193
local terms energy: -493.811767
where:
bonds (distance) C4'-P energy: -81.906
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -111.566
flat angles P-C4'-P energy: -68.272
tors. eta vs tors. theta energy: -141.265
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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1607.643502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.643502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.643502 (E_RNA)
where:
Base-Base interactions energy: -1125.029
where: short stacking energy: -452.545
Base-Backbone interact. energy: -2.827
local terms energy: -479.788152
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -101.411
flat angles P-C4'-P energy: -72.033
tors. eta vs tors. theta energy: -139.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1483.185769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.185769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.185769 (E_RNA)
where:
Base-Base interactions energy: -1035.601
where: short stacking energy: -425.281
Base-Backbone interact. energy: -0.418
local terms energy: -447.166997
where:
bonds (distance) C4'-P energy: -81.267
bonds (distance) P-C4' energy: -94.137
flat angles C4'-P-C4' energy: -90.587
flat angles P-C4'-P energy: -61.774
tors. eta vs tors. theta energy: -119.402
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1496.390932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.390932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.390932 (E_RNA)
where:
Base-Base interactions energy: -1019.849
where: short stacking energy: -417.699
Base-Backbone interact. energy: -0.627
local terms energy: -475.915470
where:
bonds (distance) C4'-P energy: -90.533
bonds (distance) P-C4' energy: -96.755
flat angles C4'-P-C4' energy: -92.086
flat angles P-C4'-P energy: -74.112
tors. eta vs tors. theta energy: -122.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1286.969381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.969381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.969381 (E_RNA)
where:
Base-Base interactions energy: -914.185
where: short stacking energy: -373.595
Base-Backbone interact. energy: -0.334
local terms energy: -372.450404
where:
bonds (distance) C4'-P energy: -62.098
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -92.857
flat angles P-C4'-P energy: -51.001
tors. eta vs tors. theta energy: -93.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -891.311663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.311663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.311663 (E_RNA)
where:
Base-Base interactions energy: -584.679
where: short stacking energy: -248.613
Base-Backbone interact. energy: 1.734
local terms energy: -308.367404
where:
bonds (distance) C4'-P energy: -67.753
bonds (distance) P-C4' energy: -80.940
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -697.553998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.553998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.553998 (E_RNA)
where:
Base-Base interactions energy: -407.264
where: short stacking energy: -191.077
Base-Backbone interact. energy: 2.350
local terms energy: -292.639980
where:
bonds (distance) C4'-P energy: -70.567
bonds (distance) P-C4' energy: -90.576
flat angles C4'-P-C4' energy: -69.220
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1841.745390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.745390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.745390 (E_RNA)
where:
Base-Base interactions energy: -1303.106
where: short stacking energy: -541.510
Base-Backbone interact. energy: -2.713
local terms energy: -535.926187
where:
bonds (distance) C4'-P energy: -95.864
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -119.006
flat angles P-C4'-P energy: -72.550
tors. eta vs tors. theta energy: -149.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1771.715773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.715773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.715773 (E_RNA)
where:
Base-Base interactions energy: -1279.511
where: short stacking energy: -523.618
Base-Backbone interact. energy: 0.145
local terms energy: -492.349234
where:
bonds (distance) C4'-P energy: -82.610
bonds (distance) P-C4' energy: -95.909
flat angles C4'-P-C4' energy: -100.607
flat angles P-C4'-P energy: -71.175
tors. eta vs tors. theta energy: -142.049
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: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1783.935076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.935076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.935076 (E_RNA)
where:
Base-Base interactions energy: -1243.907
where: short stacking energy: -539.133
Base-Backbone interact. energy: -0.887
local terms energy: -539.141610
where:
bonds (distance) C4'-P energy: -91.488
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -89.117
tors. eta vs tors. theta energy: -155.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1693.993284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.993284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.993284 (E_RNA)
where:
Base-Base interactions energy: -1213.363
where: short stacking energy: -484.188
Base-Backbone interact. energy: -0.221
local terms energy: -480.408799
where:
bonds (distance) C4'-P energy: -88.289
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -102.746
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -129.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1624.880856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.880856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.880856 (E_RNA)
where:
Base-Base interactions energy: -1150.837
where: short stacking energy: -485.102
Base-Backbone interact. energy: -1.745
local terms energy: -472.298883
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -87.642
flat angles C4'-P-C4' energy: -102.868
flat angles P-C4'-P energy: -54.845
tors. eta vs tors. theta energy: -137.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1502.430482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.430482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.430482 (E_RNA)
where:
Base-Base interactions energy: -1055.965
where: short stacking energy: -431.992
Base-Backbone interact. energy: -1.692
local terms energy: -444.773808
where:
bonds (distance) C4'-P energy: -64.846
bonds (distance) P-C4' energy: -84.889
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -63.986
tors. eta vs tors. theta energy: -121.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1455.720975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.720975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.720975 (E_RNA)
where:
Base-Base interactions energy: -1018.432
where: short stacking energy: -401.978
Base-Backbone interact. energy: -2.149
local terms energy: -435.140522
where:
bonds (distance) C4'-P energy: -81.307
bonds (distance) P-C4' energy: -86.797
flat angles C4'-P-C4' energy: -95.966
flat angles P-C4'-P energy: -57.497
tors. eta vs tors. theta energy: -113.573
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: 270
Temperature: 1.250000
Total energy: -1362.016339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.016339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.016339 (E_RNA)
where:
Base-Base interactions energy: -954.413
where: short stacking energy: -389.932
Base-Backbone interact. energy: 4.715
local terms energy: -412.317654
where:
bonds (distance) C4'-P energy: -61.783
bonds (distance) P-C4' energy: -88.544
flat angles C4'-P-C4' energy: -82.943
flat angles P-C4'-P energy: -65.146
tors. eta vs tors. theta energy: -113.902
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: 270
Temperature: 1.300000
Total energy: -881.340518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.340518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.340518 (E_RNA)
where:
Base-Base interactions energy: -550.879
where: short stacking energy: -253.052
Base-Backbone interact. energy: -1.081
local terms energy: -329.380157
where:
bonds (distance) C4'-P energy: -74.456
bonds (distance) P-C4' energy: -84.536
flat angles C4'-P-C4' energy: -76.234
flat angles P-C4'-P energy: -58.541
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: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -792.177593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.177593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.177593 (E_RNA)
where:
Base-Base interactions energy: -485.706
where: short stacking energy: -227.956
Base-Backbone interact. energy: -0.116
local terms energy: -306.355229
where:
bonds (distance) C4'-P energy: -80.826
bonds (distance) P-C4' energy: -70.311
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -51.204
tors. eta vs tors. theta energy: -29.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1861.486640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.486640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.486640 (E_RNA)
where:
Base-Base interactions energy: -1306.483
where: short stacking energy: -542.556
Base-Backbone interact. energy: -4.568
local terms energy: -550.435070
where:
bonds (distance) C4'-P energy: -94.784
bonds (distance) P-C4' energy: -103.800
flat angles C4'-P-C4' energy: -111.324
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -152.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1807.989350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.989350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.989350 (E_RNA)
where:
Base-Base interactions energy: -1263.113
where: short stacking energy: -532.902
Base-Backbone interact. energy: -1.356
local terms energy: -543.520507
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -99.563
flat angles C4'-P-C4' energy: -115.841
flat angles P-C4'-P energy: -79.009
tors. eta vs tors. theta energy: -152.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1707.999183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.999183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.999183 (E_RNA)
where:
Base-Base interactions energy: -1200.015
where: short stacking energy: -497.774
Base-Backbone interact. energy: -1.431
local terms energy: -506.553649
where:
bonds (distance) C4'-P energy: -93.221
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -103.143
flat angles P-C4'-P energy: -73.066
tors. eta vs tors. theta energy: -142.627
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1662.729260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.729260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.729260 (E_RNA)
where:
Base-Base interactions energy: -1166.732
where: short stacking energy: -486.192
Base-Backbone interact. energy: -2.950
local terms energy: -493.046839
where:
bonds (distance) C4'-P energy: -99.364
bonds (distance) P-C4' energy: -86.066
flat angles C4'-P-C4' energy: -105.294
flat angles P-C4'-P energy: -61.681
tors. eta vs tors. theta energy: -140.641
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: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1630.266332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.266332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.266332 (E_RNA)
where:
Base-Base interactions energy: -1165.872
where: short stacking energy: -453.944
Base-Backbone interact. energy: -3.061
local terms energy: -461.333771
where:
bonds (distance) C4'-P energy: -71.744
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -100.089
flat angles P-C4'-P energy: -66.706
tors. eta vs tors. theta energy: -128.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1513.664999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.664999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.664999 (E_RNA)
where:
Base-Base interactions energy: -1064.027
where: short stacking energy: -444.504
Base-Backbone interact. energy: -1.434
local terms energy: -448.204530
where:
bonds (distance) C4'-P energy: -94.556
bonds (distance) P-C4' energy: -81.539
flat angles C4'-P-C4' energy: -88.328
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -115.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1467.692552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.692552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.692552 (E_RNA)
where:
Base-Base interactions energy: -1029.828
where: short stacking energy: -415.193
Base-Backbone interact. energy: -0.389
local terms energy: -437.475727
where:
bonds (distance) C4'-P energy: -85.424
bonds (distance) P-C4' energy: -75.520
flat angles C4'-P-C4' energy: -89.629
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -114.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1347.612876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.612876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.612876 (E_RNA)
where:
Base-Base interactions energy: -935.095
where: short stacking energy: -378.472
Base-Backbone interact. energy: 1.350
local terms energy: -413.867790
where:
bonds (distance) C4'-P energy: -80.386
bonds (distance) P-C4' energy: -79.170
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -55.231
tors. eta vs tors. theta energy: -97.955
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: 271
Temperature: 1.300000
Total energy: -873.855540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.855540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.855540 (E_RNA)
where:
Base-Base interactions energy: -537.438
where: short stacking energy: -235.704
Base-Backbone interact. energy: -1.614
local terms energy: -334.803220
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -86.318
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -46.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -684.367442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.367442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.367442 (E_RNA)
where:
Base-Base interactions energy: -386.364
where: short stacking energy: -193.719
Base-Backbone interact. energy: -1.432
local terms energy: -296.571047
where:
bonds (distance) C4'-P energy: -75.854
bonds (distance) P-C4' energy: -81.248
flat angles C4'-P-C4' energy: -72.763
flat angles P-C4'-P energy: -49.938
tors. eta vs tors. theta energy: -16.767
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1852.160323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.160323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.160323 (E_RNA)
where:
Base-Base interactions energy: -1300.316
where: short stacking energy: -546.629
Base-Backbone interact. energy: -0.510
local terms energy: -551.335177
where:
bonds (distance) C4'-P energy: -92.833
bonds (distance) P-C4' energy: -105.626
flat angles C4'-P-C4' energy: -117.616
flat angles P-C4'-P energy: -81.756
tors. eta vs tors. theta energy: -153.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1797.057878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.057878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.057878 (E_RNA)
where:
Base-Base interactions energy: -1254.861
where: short stacking energy: -509.546
Base-Backbone interact. energy: -3.171
local terms energy: -539.025896
where:
bonds (distance) C4'-P energy: -96.287
bonds (distance) P-C4' energy: -96.926
flat angles C4'-P-C4' energy: -114.066
flat angles P-C4'-P energy: -75.167
tors. eta vs tors. theta energy: -156.579
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: 272
Temperature: 1.000000
Total energy: -1730.946500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.946500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.946500 (E_RNA)
where:
Base-Base interactions energy: -1224.052
where: short stacking energy: -493.512
Base-Backbone interact. energy: -1.755
local terms energy: -505.139603
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -97.259
flat angles C4'-P-C4' energy: -100.952
flat angles P-C4'-P energy: -70.716
tors. eta vs tors. theta energy: -136.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1660.605079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.605079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.605079 (E_RNA)
where:
Base-Base interactions energy: -1153.836
where: short stacking energy: -478.331
Base-Backbone interact. energy: -1.395
local terms energy: -505.374474
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -95.238
flat angles C4'-P-C4' energy: -108.923
flat angles P-C4'-P energy: -73.725
tors. eta vs tors. theta energy: -136.450
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: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1639.555168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.555168 (E_RNA)
where:
Base-Base interactions energy: -1168.597
where: short stacking energy: -485.575
Base-Backbone interact. energy: -2.384
local terms energy: -468.574850
where:
bonds (distance) C4'-P energy: -78.736
bonds (distance) P-C4' energy: -83.542
flat angles C4'-P-C4' energy: -95.907
flat angles P-C4'-P energy: -66.237
tors. eta vs tors. theta energy: -144.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1517.358374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.358374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.358374 (E_RNA)
where:
Base-Base interactions energy: -1078.488
where: short stacking energy: -444.212
Base-Backbone interact. energy: 4.533
local terms energy: -443.403664
where:
bonds (distance) C4'-P energy: -68.859
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -96.171
flat angles P-C4'-P energy: -67.267
tors. eta vs tors. theta energy: -125.764
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: 272
Temperature: 1.200000
Total energy: -1482.666852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.666852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.666852 (E_RNA)
where:
Base-Base interactions energy: -1055.924
where: short stacking energy: -411.674
Base-Backbone interact. energy: -0.731
local terms energy: -426.012089
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -86.345
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -68.842
tors. eta vs tors. theta energy: -119.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1363.776928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.776928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.776928 (E_RNA)
where:
Base-Base interactions energy: -963.929
where: short stacking energy: -388.494
Base-Backbone interact. energy: -2.249
local terms energy: -397.599717
where:
bonds (distance) C4'-P energy: -74.511
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -90.420
flat angles P-C4'-P energy: -57.745
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: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -902.646636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.646636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.646636 (E_RNA)
where:
Base-Base interactions energy: -584.828
where: short stacking energy: -259.104
Base-Backbone interact. energy: -2.799
local terms energy: -315.019535
where:
bonds (distance) C4'-P energy: -66.707
bonds (distance) P-C4' energy: -98.208
flat angles C4'-P-C4' energy: -74.939
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -42.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -705.276809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.276809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.276809 (E_RNA)
where:
Base-Base interactions energy: -418.802
where: short stacking energy: -222.837
Base-Backbone interact. energy: 1.230
local terms energy: -287.704305
where:
bonds (distance) C4'-P energy: -75.892
bonds (distance) P-C4' energy: -85.183
flat angles C4'-P-C4' energy: -69.535
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1854.003547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.003547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.003547 (E_RNA)
where:
Base-Base interactions energy: -1313.583
where: short stacking energy: -522.067
Base-Backbone interact. energy: -1.071
local terms energy: -539.349557
where:
bonds (distance) C4'-P energy: -96.379
bonds (distance) P-C4' energy: -91.350
flat angles C4'-P-C4' energy: -114.092
flat angles P-C4'-P energy: -84.806
tors. eta vs tors. theta energy: -152.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1799.463896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.463896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.463896 (E_RNA)
where:
Base-Base interactions energy: -1255.031
where: short stacking energy: -518.927
Base-Backbone interact. energy: -0.718
local terms energy: -543.714782
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -99.419
flat angles C4'-P-C4' energy: -118.281
flat angles P-C4'-P energy: -82.984
tors. eta vs tors. theta energy: -144.903
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: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1727.126678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.126678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.126678 (E_RNA)
where:
Base-Base interactions energy: -1216.028
where: short stacking energy: -507.235
Base-Backbone interact. energy: -2.418
local terms energy: -508.680973
where:
bonds (distance) C4'-P energy: -77.801
bonds (distance) P-C4' energy: -99.106
flat angles C4'-P-C4' energy: -112.732
flat angles P-C4'-P energy: -77.490
tors. eta vs tors. theta energy: -141.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1704.162652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.162652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.162652 (E_RNA)
where:
Base-Base interactions energy: -1214.519
where: short stacking energy: -499.537
Base-Backbone interact. energy: -2.334
local terms energy: -487.308915
where:
bonds (distance) C4'-P energy: -68.991
bonds (distance) P-C4' energy: -90.842
flat angles C4'-P-C4' energy: -111.416
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -139.220
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: 273
Temperature: 1.100000
Total energy: -1646.348092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.348092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.348092 (E_RNA)
where:
Base-Base interactions energy: -1155.915
where: short stacking energy: -490.997
Base-Backbone interact. energy: 1.656
local terms energy: -492.089373
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -91.621
flat angles C4'-P-C4' energy: -105.547
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -134.630
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1493.135151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.135151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.135151 (E_RNA)
where:
Base-Base interactions energy: -1025.722
where: short stacking energy: -431.562
Base-Backbone interact. energy: 0.425
local terms energy: -467.837644
where:
bonds (distance) C4'-P energy: -80.167
bonds (distance) P-C4' energy: -88.148
flat angles C4'-P-C4' energy: -96.925
flat angles P-C4'-P energy: -73.794
tors. eta vs tors. theta energy: -128.803
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: 273
Temperature: 1.200000
Total energy: -1426.314047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.314047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.314047 (E_RNA)
where:
Base-Base interactions energy: -970.779
where: short stacking energy: -415.646
Base-Backbone interact. energy: -1.912
local terms energy: -453.623117
where:
bonds (distance) C4'-P energy: -83.045
bonds (distance) P-C4' energy: -84.561
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -69.346
tors. eta vs tors. theta energy: -113.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1374.453243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.453243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.453243 (E_RNA)
where:
Base-Base interactions energy: -947.630
where: short stacking energy: -403.284
Base-Backbone interact. energy: -0.366
local terms energy: -426.457054
where:
bonds (distance) C4'-P energy: -75.942
bonds (distance) P-C4' energy: -82.672
flat angles C4'-P-C4' energy: -98.365
flat angles P-C4'-P energy: -58.697
tors. eta vs tors. theta energy: -110.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -963.514890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.514890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.514890 (E_RNA)
where:
Base-Base interactions energy: -600.135
where: short stacking energy: -278.026
Base-Backbone interact. energy: -2.072
local terms energy: -361.308132
where:
bonds (distance) C4'-P energy: -89.273
bonds (distance) P-C4' energy: -85.610
flat angles C4'-P-C4' energy: -85.251
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -47.296
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: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -774.974169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.974169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.974169 (E_RNA)
where:
Base-Base interactions energy: -446.865
where: short stacking energy: -221.533
Base-Backbone interact. energy: -0.583
local terms energy: -327.525562
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -75.506
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -30.057
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1832.294532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.294532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.294532 (E_RNA)
where:
Base-Base interactions energy: -1289.935
where: short stacking energy: -533.070
Base-Backbone interact. energy: -2.765
local terms energy: -539.594009
where:
bonds (distance) C4'-P energy: -100.060
bonds (distance) P-C4' energy: -94.930
flat angles C4'-P-C4' energy: -116.682
flat angles P-C4'-P energy: -78.783
tors. eta vs tors. theta energy: -149.139
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1843.521139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.521139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.521139 (E_RNA)
where:
Base-Base interactions energy: -1315.841
where: short stacking energy: -533.966
Base-Backbone interact. energy: -1.978
local terms energy: -525.702164
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -96.270
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -80.023
tors. eta vs tors. theta energy: -150.138
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: 274
Temperature: 1.000000
Total energy: -1731.175193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.175193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.175193 (E_RNA)
where:
Base-Base interactions energy: -1208.549
where: short stacking energy: -492.935
Base-Backbone interact. energy: -3.177
local terms energy: -519.448514
where:
bonds (distance) C4'-P energy: -90.789
bonds (distance) P-C4' energy: -93.684
flat angles C4'-P-C4' energy: -116.214
flat angles P-C4'-P energy: -74.875
tors. eta vs tors. theta energy: -143.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1679.279236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.279236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.279236 (E_RNA)
where:
Base-Base interactions energy: -1188.891
where: short stacking energy: -486.734
Base-Backbone interact. energy: -1.364
local terms energy: -489.023707
where:
bonds (distance) C4'-P energy: -75.342
bonds (distance) P-C4' energy: -80.740
flat angles C4'-P-C4' energy: -111.736
flat angles P-C4'-P energy: -76.541
tors. eta vs tors. theta energy: -144.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1653.702421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.702421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.702421 (E_RNA)
where:
Base-Base interactions energy: -1184.351
where: short stacking energy: -483.841
Base-Backbone interact. energy: -3.208
local terms energy: -466.143314
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -83.688
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -62.943
tors. eta vs tors. theta energy: -130.738
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: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1508.555445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.555445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.555445 (E_RNA)
where:
Base-Base interactions energy: -1068.440
where: short stacking energy: -451.425
Base-Backbone interact. energy: -1.115
local terms energy: -439.000633
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -85.411
flat angles C4'-P-C4' energy: -102.696
flat angles P-C4'-P energy: -62.084
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1421.920980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.920980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.920980 (E_RNA)
where:
Base-Base interactions energy: -1005.511
where: short stacking energy: -411.709
Base-Backbone interact. energy: -1.437
local terms energy: -414.973385
where:
bonds (distance) C4'-P energy: -77.328
bonds (distance) P-C4' energy: -75.143
flat angles C4'-P-C4' energy: -87.563
flat angles P-C4'-P energy: -60.753
tors. eta vs tors. theta energy: -114.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1394.710561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.710561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.710561 (E_RNA)
where:
Base-Base interactions energy: -961.486
where: short stacking energy: -394.797
Base-Backbone interact. energy: 3.684
local terms energy: -436.907668
where:
bonds (distance) C4'-P energy: -76.141
bonds (distance) P-C4' energy: -78.781
flat angles C4'-P-C4' energy: -95.817
flat angles P-C4'-P energy: -72.005
tors. eta vs tors. theta energy: -114.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -887.501319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.501319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.501319 (E_RNA)
where:
Base-Base interactions energy: -561.566
where: short stacking energy: -240.542
Base-Backbone interact. energy: -1.116
local terms energy: -324.819395
where:
bonds (distance) C4'-P energy: -83.465
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -35.824
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: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -771.264011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.264011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.264011 (E_RNA)
where:
Base-Base interactions energy: -467.685
where: short stacking energy: -226.164
Base-Backbone interact. energy: 4.592
local terms energy: -308.171193
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -73.397
flat angles C4'-P-C4' energy: -89.660
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -24.629
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: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1833.469990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.469990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.469990 (E_RNA)
where:
Base-Base interactions energy: -1296.898
where: short stacking energy: -551.763
Base-Backbone interact. energy: -1.317
local terms energy: -535.254770
where:
bonds (distance) C4'-P energy: -92.874
bonds (distance) P-C4' energy: -98.075
flat angles C4'-P-C4' energy: -107.403
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -162.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1832.963275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.963275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.963275 (E_RNA)
where:
Base-Base interactions energy: -1310.736
where: short stacking energy: -532.742
Base-Backbone interact. energy: -2.387
local terms energy: -519.840225
where:
bonds (distance) C4'-P energy: -102.126
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -99.031
flat angles P-C4'-P energy: -75.346
tors. eta vs tors. theta energy: -147.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1768.332732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.332732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.332732 (E_RNA)
where:
Base-Base interactions energy: -1253.667
where: short stacking energy: -497.566
Base-Backbone interact. energy: 0.404
local terms energy: -515.069706
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -98.738
flat angles C4'-P-C4' energy: -105.209
flat angles P-C4'-P energy: -80.006
tors. eta vs tors. theta energy: -143.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1711.645990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.645990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.645990 (E_RNA)
where:
Base-Base interactions energy: -1210.758
where: short stacking energy: -494.323
Base-Backbone interact. energy: -3.129
local terms energy: -497.758846
where:
bonds (distance) C4'-P energy: -95.989
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -65.778
tors. eta vs tors. theta energy: -141.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1636.875385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.875385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.875385 (E_RNA)
where:
Base-Base interactions energy: -1162.704
where: short stacking energy: -462.547
Base-Backbone interact. energy: -1.532
local terms energy: -472.639592
where:
bonds (distance) C4'-P energy: -82.506
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -96.551
flat angles P-C4'-P energy: -66.896
tors. eta vs tors. theta energy: -134.514
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: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1549.069839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.069839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.069839 (E_RNA)
where:
Base-Base interactions energy: -1075.428
where: short stacking energy: -445.443
Base-Backbone interact. energy: -1.203
local terms energy: -472.438822
where:
bonds (distance) C4'-P energy: -81.102
bonds (distance) P-C4' energy: -90.848
flat angles C4'-P-C4' energy: -107.056
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -125.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1440.786774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.786774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.786774 (E_RNA)
where:
Base-Base interactions energy: -1014.314
where: short stacking energy: -413.582
Base-Backbone interact. energy: -1.648
local terms energy: -424.824828
where:
bonds (distance) C4'-P energy: -88.232
bonds (distance) P-C4' energy: -79.755
flat angles C4'-P-C4' energy: -98.578
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -104.269
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: 275
Temperature: 1.250000
Total energy: -1371.915310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.915310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.915310 (E_RNA)
where:
Base-Base interactions energy: -957.550
where: short stacking energy: -396.383
Base-Backbone interact. energy: 0.500
local terms energy: -414.865315
where:
bonds (distance) C4'-P energy: -70.301
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -98.847
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -123.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -845.638242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.638242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.638242 (E_RNA)
where:
Base-Base interactions energy: -534.068
where: short stacking energy: -249.430
Base-Backbone interact. energy: 2.757
local terms energy: -314.327180
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -87.184
flat angles C4'-P-C4' energy: -83.312
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -35.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -740.596095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.596095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.596095 (E_RNA)
where:
Base-Base interactions energy: -449.414
where: short stacking energy: -216.295
Base-Backbone interact. energy: 4.674
local terms energy: -295.855630
where:
bonds (distance) C4'-P energy: -84.149
bonds (distance) P-C4' energy: -73.948
flat angles C4'-P-C4' energy: -62.465
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -34.915
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: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1822.380080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.380080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.380080 (E_RNA)
where:
Base-Base interactions energy: -1274.750
where: short stacking energy: -553.492
Base-Backbone interact. energy: -0.049
local terms energy: -547.581095
where:
bonds (distance) C4'-P energy: -93.736
bonds (distance) P-C4' energy: -99.761
flat angles C4'-P-C4' energy: -119.791
flat angles P-C4'-P energy: -80.488
tors. eta vs tors. theta energy: -153.805
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1804.616136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.616136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.616136 (E_RNA)
where:
Base-Base interactions energy: -1276.047
where: short stacking energy: -542.513
Base-Backbone interact. energy: -1.631
local terms energy: -526.938877
where:
bonds (distance) C4'-P energy: -106.140
bonds (distance) P-C4' energy: -101.369
flat angles C4'-P-C4' energy: -101.265
flat angles P-C4'-P energy: -64.214
tors. eta vs tors. theta energy: -153.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1745.386980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.386980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.386980 (E_RNA)
where:
Base-Base interactions energy: -1242.186
where: short stacking energy: -496.173
Base-Backbone interact. energy: -3.080
local terms energy: -500.121141
where:
bonds (distance) C4'-P energy: -87.348
bonds (distance) P-C4' energy: -84.141
flat angles C4'-P-C4' energy: -106.606
flat angles P-C4'-P energy: -79.234
tors. eta vs tors. theta energy: -142.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1691.622538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.622538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.622538 (E_RNA)
where:
Base-Base interactions energy: -1197.040
where: short stacking energy: -479.597
Base-Backbone interact. energy: -1.937
local terms energy: -492.644724
where:
bonds (distance) C4'-P energy: -89.978
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -71.506
tors. eta vs tors. theta energy: -136.420
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: 276
Temperature: 1.100000
Total energy: -1629.423517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.423517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.423517 (E_RNA)
where:
Base-Base interactions energy: -1151.523
where: short stacking energy: -455.617
Base-Backbone interact. energy: -2.539
local terms energy: -475.360876
where:
bonds (distance) C4'-P energy: -95.730
bonds (distance) P-C4' energy: -91.086
flat angles C4'-P-C4' energy: -98.569
flat angles P-C4'-P energy: -60.937
tors. eta vs tors. theta energy: -129.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1561.070115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.070115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.070115 (E_RNA)
where:
Base-Base interactions energy: -1087.430
where: short stacking energy: -448.617
Base-Backbone interact. energy: 2.029
local terms energy: -475.668836
where:
bonds (distance) C4'-P energy: -80.261
bonds (distance) P-C4' energy: -91.551
flat angles C4'-P-C4' energy: -102.100
flat angles P-C4'-P energy: -68.064
tors. eta vs tors. theta energy: -133.694
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: 276
Temperature: 1.200000
Total energy: -1485.352198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.352198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.352198 (E_RNA)
where:
Base-Base interactions energy: -1041.012
where: short stacking energy: -409.903
Base-Backbone interact. energy: -2.160
local terms energy: -442.179839
where:
bonds (distance) C4'-P energy: -80.991
bonds (distance) P-C4' energy: -98.385
flat angles C4'-P-C4' energy: -92.949
flat angles P-C4'-P energy: -56.080
tors. eta vs tors. theta energy: -113.775
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: 276
Temperature: 1.250000
Total energy: -1373.101791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.101791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.101791 (E_RNA)
where:
Base-Base interactions energy: -956.403
where: short stacking energy: -401.036
Base-Backbone interact. energy: -0.151
local terms energy: -416.548026
where:
bonds (distance) C4'-P energy: -73.482
bonds (distance) P-C4' energy: -77.515
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: -108.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -880.741978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.741978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.741978 (E_RNA)
where:
Base-Base interactions energy: -525.357
where: short stacking energy: -248.603
Base-Backbone interact. energy: -1.269
local terms energy: -354.115608
where:
bonds (distance) C4'-P energy: -85.434
bonds (distance) P-C4' energy: -86.547
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -55.444
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: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -719.048206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.048206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.048206 (E_RNA)
where:
Base-Base interactions energy: -452.193
where: short stacking energy: -219.927
Base-Backbone interact. energy: 1.378
local terms energy: -268.233241
where:
bonds (distance) C4'-P energy: -70.720
bonds (distance) P-C4' energy: -76.485
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1794.112165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.112165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.112165 (E_RNA)
where:
Base-Base interactions energy: -1261.920
where: short stacking energy: -541.076
Base-Backbone interact. energy: -0.574
local terms energy: -531.618199
where:
bonds (distance) C4'-P energy: -98.508
bonds (distance) P-C4' energy: -87.593
flat angles C4'-P-C4' energy: -117.546
flat angles P-C4'-P energy: -75.990
tors. eta vs tors. theta energy: -151.981
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: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1781.302917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.302917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.302917 (E_RNA)
where:
Base-Base interactions energy: -1243.055
where: short stacking energy: -528.275
Base-Backbone interact. energy: -1.205
local terms energy: -537.042742
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -104.805
flat angles C4'-P-C4' energy: -115.699
flat angles P-C4'-P energy: -72.062
tors. eta vs tors. theta energy: -143.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1741.470850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.470850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.470850 (E_RNA)
where:
Base-Base interactions energy: -1212.369
where: short stacking energy: -493.233
Base-Backbone interact. energy: -0.004
local terms energy: -529.098499
where:
bonds (distance) C4'-P energy: -106.140
bonds (distance) P-C4' energy: -92.736
flat angles C4'-P-C4' energy: -110.602
flat angles P-C4'-P energy: -75.047
tors. eta vs tors. theta energy: -144.574
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: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1729.243204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.243204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.243204 (E_RNA)
where:
Base-Base interactions energy: -1190.311
where: short stacking energy: -478.801
Base-Backbone interact. energy: -1.267
local terms energy: -537.665772
where:
bonds (distance) C4'-P energy: -105.920
bonds (distance) P-C4' energy: -98.908
flat angles C4'-P-C4' energy: -115.242
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -143.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1682.538688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.538688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.538688 (E_RNA)
where:
Base-Base interactions energy: -1195.972
where: short stacking energy: -484.026
Base-Backbone interact. energy: -1.293
local terms energy: -485.274054
where:
bonds (distance) C4'-P energy: -79.824
bonds (distance) P-C4' energy: -91.967
flat angles C4'-P-C4' energy: -106.524
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -138.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1557.761288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.761288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.761288 (E_RNA)
where:
Base-Base interactions energy: -1094.568
where: short stacking energy: -452.031
Base-Backbone interact. energy: -1.050
local terms energy: -462.143371
where:
bonds (distance) C4'-P energy: -84.495
bonds (distance) P-C4' energy: -85.975
flat angles C4'-P-C4' energy: -102.533
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -131.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1426.970210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.970210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.970210 (E_RNA)
where:
Base-Base interactions energy: -1010.396
where: short stacking energy: -412.579
Base-Backbone interact. energy: -0.004
local terms energy: -416.570273
where:
bonds (distance) C4'-P energy: -77.861
bonds (distance) P-C4' energy: -76.605
flat angles C4'-P-C4' energy: -98.313
flat angles P-C4'-P energy: -66.282
tors. eta vs tors. theta energy: -97.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1344.340317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.340317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.340317 (E_RNA)
where:
Base-Base interactions energy: -954.456
where: short stacking energy: -419.070
Base-Backbone interact. energy: 1.435
local terms energy: -391.319959
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -81.489
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -109.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -888.534187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.534187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.534187 (E_RNA)
where:
Base-Base interactions energy: -548.385
where: short stacking energy: -229.796
Base-Backbone interact. energy: -0.820
local terms energy: -339.329136
where:
bonds (distance) C4'-P energy: -78.701
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -77.580
flat angles P-C4'-P energy: -68.315
tors. eta vs tors. theta energy: -34.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -745.389384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.389384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.389384 (E_RNA)
where:
Base-Base interactions energy: -467.829
where: short stacking energy: -218.382
Base-Backbone interact. energy: -1.170
local terms energy: -276.389988
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -62.937
flat angles C4'-P-C4' energy: -63.365
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -20.967
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: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1832.242695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.242695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.242695 (E_RNA)
where:
Base-Base interactions energy: -1283.474
where: short stacking energy: -532.429
Base-Backbone interact. energy: -2.130
local terms energy: -546.639065
where:
bonds (distance) C4'-P energy: -103.427
bonds (distance) P-C4' energy: -96.343
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -78.190
tors. eta vs tors. theta energy: -157.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1783.989681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.989681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.989681 (E_RNA)
where:
Base-Base interactions energy: -1255.908
where: short stacking energy: -540.566
Base-Backbone interact. energy: 0.455
local terms energy: -528.536535
where:
bonds (distance) C4'-P energy: -89.702
bonds (distance) P-C4' energy: -93.191
flat angles C4'-P-C4' energy: -111.860
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -159.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1712.114307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.114307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.114307 (E_RNA)
where:
Base-Base interactions energy: -1216.345
where: short stacking energy: -516.958
Base-Backbone interact. energy: -2.620
local terms energy: -493.148723
where:
bonds (distance) C4'-P energy: -97.267
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -106.965
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -140.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1707.978701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.978701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.978701 (E_RNA)
where:
Base-Base interactions energy: -1186.614
where: short stacking energy: -522.111
Base-Backbone interact. energy: 1.545
local terms energy: -522.910122
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -109.872
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -149.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1630.044677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.044677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.044677 (E_RNA)
where:
Base-Base interactions energy: -1157.511
where: short stacking energy: -460.277
Base-Backbone interact. energy: -1.646
local terms energy: -470.887930
where:
bonds (distance) C4'-P energy: -86.404
bonds (distance) P-C4' energy: -86.417
flat angles C4'-P-C4' energy: -95.408
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -136.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1569.603762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.603762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.603762 (E_RNA)
where:
Base-Base interactions energy: -1119.735
where: short stacking energy: -476.352
Base-Backbone interact. energy: 4.141
local terms energy: -454.010047
where:
bonds (distance) C4'-P energy: -76.953
bonds (distance) P-C4' energy: -88.649
flat angles C4'-P-C4' energy: -81.738
flat angles P-C4'-P energy: -77.859
tors. eta vs tors. theta energy: -128.811
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: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1419.005951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.005951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.005951 (E_RNA)
where:
Base-Base interactions energy: -1000.097
where: short stacking energy: -385.112
Base-Backbone interact. energy: -1.207
local terms energy: -417.701669
where:
bonds (distance) C4'-P energy: -67.135
bonds (distance) P-C4' energy: -84.439
flat angles C4'-P-C4' energy: -94.233
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -102.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1287.562518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.562518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.562518 (E_RNA)
where:
Base-Base interactions energy: -895.715
where: short stacking energy: -382.922
Base-Backbone interact. energy: 1.092
local terms energy: -392.939399
where:
bonds (distance) C4'-P energy: -58.399
bonds (distance) P-C4' energy: -83.023
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -57.453
tors. eta vs tors. theta energy: -96.729
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -934.554776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.554776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.554776 (E_RNA)
where:
Base-Base interactions energy: -606.202
where: short stacking energy: -261.202
Base-Backbone interact. energy: -2.635
local terms energy: -325.717155
where:
bonds (distance) C4'-P energy: -94.010
bonds (distance) P-C4' energy: -82.959
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -48.074
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: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -728.143356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.143356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.143356 (E_RNA)
where:
Base-Base interactions energy: -425.322
where: short stacking energy: -190.332
Base-Backbone interact. energy: 1.265
local terms energy: -304.086412
where:
bonds (distance) C4'-P energy: -85.577
bonds (distance) P-C4' energy: -89.605
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -57.770
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1839.737999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.737999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.737999 (E_RNA)
where:
Base-Base interactions energy: -1304.826
where: short stacking energy: -544.080
Base-Backbone interact. energy: -3.290
local terms energy: -531.621998
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -98.202
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -76.284
tors. eta vs tors. theta energy: -153.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1794.422431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.422431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.422431 (E_RNA)
where:
Base-Base interactions energy: -1249.460
where: short stacking energy: -521.589
Base-Backbone interact. energy: -0.559
local terms energy: -544.403080
where:
bonds (distance) C4'-P energy: -107.842
bonds (distance) P-C4' energy: -84.869
flat angles C4'-P-C4' energy: -115.887
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -154.795
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: 279
Temperature: 1.000000
Total energy: -1741.045807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.045807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.045807 (E_RNA)
where:
Base-Base interactions energy: -1236.897
where: short stacking energy: -509.519
Base-Backbone interact. energy: -2.698
local terms energy: -501.450669
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -98.155
flat angles C4'-P-C4' energy: -115.398
flat angles P-C4'-P energy: -72.323
tors. eta vs tors. theta energy: -142.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1685.574550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.574550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.574550 (E_RNA)
where:
Base-Base interactions energy: -1200.674
where: short stacking energy: -476.665
Base-Backbone interact. energy: 2.386
local terms energy: -487.286929
where:
bonds (distance) C4'-P energy: -83.965
bonds (distance) P-C4' energy: -88.545
flat angles C4'-P-C4' energy: -105.904
flat angles P-C4'-P energy: -67.580
tors. eta vs tors. theta energy: -141.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1646.174397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.174397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.174397 (E_RNA)
where:
Base-Base interactions energy: -1155.705
where: short stacking energy: -466.162
Base-Backbone interact. energy: -2.801
local terms energy: -487.668434
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -89.545
flat angles C4'-P-C4' energy: -99.836
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -138.699
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: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1519.710065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.710065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.710065 (E_RNA)
where:
Base-Base interactions energy: -1056.313
where: short stacking energy: -442.976
Base-Backbone interact. energy: -2.069
local terms energy: -461.327858
where:
bonds (distance) C4'-P energy: -73.514
bonds (distance) P-C4' energy: -90.966
flat angles C4'-P-C4' energy: -108.548
flat angles P-C4'-P energy: -69.612
tors. eta vs tors. theta energy: -118.688
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: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1392.981911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.981911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.981911 (E_RNA)
where:
Base-Base interactions energy: -966.918
where: short stacking energy: -392.441
Base-Backbone interact. energy: -1.792
local terms energy: -424.271988
where:
bonds (distance) C4'-P energy: -87.991
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -69.436
tors. eta vs tors. theta energy: -95.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1318.896054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.896054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.896054 (E_RNA)
where:
Base-Base interactions energy: -898.716
where: short stacking energy: -384.436
Base-Backbone interact. energy: 0.411
local terms energy: -420.590855
where:
bonds (distance) C4'-P energy: -84.232
bonds (distance) P-C4' energy: -77.534
flat angles C4'-P-C4' energy: -98.141
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: -101.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -914.290051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.290051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.290051 (E_RNA)
where:
Base-Base interactions energy: -620.638
where: short stacking energy: -281.522
Base-Backbone interact. energy: 5.697
local terms energy: -299.348963
where:
bonds (distance) C4'-P energy: -53.019
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -78.640
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: -48.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -680.018541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.018541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.018541 (E_RNA)
where:
Base-Base interactions energy: -386.946
where: short stacking energy: -186.554
Base-Backbone interact. energy: -1.292
local terms energy: -291.780726
where:
bonds (distance) C4'-P energy: -66.965
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -84.282
flat angles P-C4'-P energy: -41.047
tors. eta vs tors. theta energy: -8.805
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: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1839.258734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.258734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.258734 (E_RNA)
where:
Base-Base interactions energy: -1287.123
where: short stacking energy: -536.507
Base-Backbone interact. energy: -1.628
local terms energy: -550.507454
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -99.060
flat angles C4'-P-C4' energy: -114.261
flat angles P-C4'-P energy: -81.534
tors. eta vs tors. theta energy: -156.238
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: 280
Temperature: 0.950000
Total energy: -1769.009144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.009144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.009144 (E_RNA)
where:
Base-Base interactions energy: -1256.522
where: short stacking energy: -529.288
Base-Backbone interact. energy: -3.516
local terms energy: -508.971299
where:
bonds (distance) C4'-P energy: -82.027
bonds (distance) P-C4' energy: -91.475
flat angles C4'-P-C4' energy: -108.724
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -144.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1705.034070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.034070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.034070 (E_RNA)
where:
Base-Base interactions energy: -1190.076
where: short stacking energy: -489.832
Base-Backbone interact. energy: -1.937
local terms energy: -513.021047
where:
bonds (distance) C4'-P energy: -98.681
bonds (distance) P-C4' energy: -84.322
flat angles C4'-P-C4' energy: -115.246
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -137.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1674.316329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.316329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.316329 (E_RNA)
where:
Base-Base interactions energy: -1199.173
where: short stacking energy: -469.757
Base-Backbone interact. energy: -3.948
local terms energy: -471.194899
where:
bonds (distance) C4'-P energy: -72.045
bonds (distance) P-C4' energy: -96.457
flat angles C4'-P-C4' energy: -93.004
flat angles P-C4'-P energy: -74.938
tors. eta vs tors. theta energy: -134.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1639.831340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.831340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.831340 (E_RNA)
where:
Base-Base interactions energy: -1174.612
where: short stacking energy: -472.475
Base-Backbone interact. energy: 4.736
local terms energy: -469.955537
where:
bonds (distance) C4'-P energy: -72.654
bonds (distance) P-C4' energy: -81.443
flat angles C4'-P-C4' energy: -107.907
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -137.408
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: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1510.248311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.248311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.248311 (E_RNA)
where:
Base-Base interactions energy: -1030.575
where: short stacking energy: -442.829
Base-Backbone interact. energy: -1.389
local terms energy: -478.284687
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -76.082
flat angles C4'-P-C4' energy: -117.401
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: -129.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1384.177998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.177998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.177998 (E_RNA)
where:
Base-Base interactions energy: -961.416
where: short stacking energy: -391.465
Base-Backbone interact. energy: -2.509
local terms energy: -420.253408
where:
bonds (distance) C4'-P energy: -71.189
bonds (distance) P-C4' energy: -77.660
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: -107.443
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: 280
Temperature: 1.250000
Total energy: -1335.501185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.501185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.501185 (E_RNA)
where:
Base-Base interactions energy: -919.738
where: short stacking energy: -383.030
Base-Backbone interact. energy: 0.001
local terms energy: -415.764844
where:
bonds (distance) C4'-P energy: -74.790
bonds (distance) P-C4' energy: -85.338
flat angles C4'-P-C4' energy: -92.142
flat angles P-C4'-P energy: -65.366
tors. eta vs tors. theta energy: -98.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -870.038082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.038082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.038082 (E_RNA)
where:
Base-Base interactions energy: -530.664
where: short stacking energy: -228.145
Base-Backbone interact. energy: -1.244
local terms energy: -338.129925
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -58.558
tors. eta vs tors. theta energy: -32.576
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -664.782896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.782896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.782896 (E_RNA)
where:
Base-Base interactions energy: -394.254
where: short stacking energy: -198.368
Base-Backbone interact. energy: 2.505
local terms energy: -273.033784
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -84.843
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -54.198
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1847.372747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.372747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.372747 (E_RNA)
where:
Base-Base interactions energy: -1295.247
where: short stacking energy: -533.086
Base-Backbone interact. energy: -4.297
local terms energy: -547.828666
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -109.526
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -79.363
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: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1812.811479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.811479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.811479 (E_RNA)
where:
Base-Base interactions energy: -1293.960
where: short stacking energy: -542.375
Base-Backbone interact. energy: -2.814
local terms energy: -516.037068
where:
bonds (distance) C4'-P energy: -88.863
bonds (distance) P-C4' energy: -86.167
flat angles C4'-P-C4' energy: -113.321
flat angles P-C4'-P energy: -75.695
tors. eta vs tors. theta energy: -151.991
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1729.525617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.525617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.525617 (E_RNA)
where:
Base-Base interactions energy: -1221.330
where: short stacking energy: -518.488
Base-Backbone interact. energy: -1.745
local terms energy: -506.450401
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -98.150
flat angles C4'-P-C4' energy: -97.646
flat angles P-C4'-P energy: -74.327
tors. eta vs tors. theta energy: -147.960
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: 281
Temperature: 1.050000
Total energy: -1698.170781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.170781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.170781 (E_RNA)
where:
Base-Base interactions energy: -1210.357
where: short stacking energy: -488.577
Base-Backbone interact. energy: -0.746
local terms energy: -487.067767
where:
bonds (distance) C4'-P energy: -82.833
bonds (distance) P-C4' energy: -89.805
flat angles C4'-P-C4' energy: -107.373
flat angles P-C4'-P energy: -68.457
tors. eta vs tors. theta energy: -138.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1648.669525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.669525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.669525 (E_RNA)
where:
Base-Base interactions energy: -1155.757
where: short stacking energy: -489.150
Base-Backbone interact. energy: 1.034
local terms energy: -493.946267
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -104.538
flat angles P-C4'-P energy: -82.619
tors. eta vs tors. theta energy: -147.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1566.630907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.630907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.630907 (E_RNA)
where:
Base-Base interactions energy: -1120.370
where: short stacking energy: -453.111
Base-Backbone interact. energy: -1.751
local terms energy: -444.509848
where:
bonds (distance) C4'-P energy: -82.252
bonds (distance) P-C4' energy: -78.387
flat angles C4'-P-C4' energy: -98.631
flat angles P-C4'-P energy: -54.020
tors. eta vs tors. theta energy: -131.219
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1378.534177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.534177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.534177 (E_RNA)
where:
Base-Base interactions energy: -977.539
where: short stacking energy: -397.534
Base-Backbone interact. energy: -1.384
local terms energy: -399.611571
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -79.276
flat angles C4'-P-C4' energy: -81.329
flat angles P-C4'-P energy: -68.614
tors. eta vs tors. theta energy: -109.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1283.982549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.982549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.982549 (E_RNA)
where:
Base-Base interactions energy: -932.105
where: short stacking energy: -388.723
Base-Backbone interact. energy: 3.398
local terms energy: -355.275715
where:
bonds (distance) C4'-P energy: -56.438
bonds (distance) P-C4' energy: -73.532
flat angles C4'-P-C4' energy: -91.218
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -94.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -957.837191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.837191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.837191 (E_RNA)
where:
Base-Base interactions energy: -621.279
where: short stacking energy: -278.343
Base-Backbone interact. energy: 2.342
local terms energy: -338.900159
where:
bonds (distance) C4'-P energy: -85.264
bonds (distance) P-C4' energy: -75.052
flat angles C4'-P-C4' energy: -77.762
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -45.321
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: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -684.898378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.898378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.898378 (E_RNA)
where:
Base-Base interactions energy: -407.025
where: short stacking energy: -205.759
Base-Backbone interact. energy: -3.386
local terms energy: -274.487044
where:
bonds (distance) C4'-P energy: -79.140
bonds (distance) P-C4' energy: -85.150
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1856.370605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.370605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.370605 (E_RNA)
where:
Base-Base interactions energy: -1341.396
where: short stacking energy: -554.658
Base-Backbone interact. energy: -3.861
local terms energy: -511.113108
where:
bonds (distance) C4'-P energy: -85.490
bonds (distance) P-C4' energy: -96.157
flat angles C4'-P-C4' energy: -109.442
flat angles P-C4'-P energy: -59.344
tors. eta vs tors. theta energy: -160.681
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: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1807.460816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.460816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.460816 (E_RNA)
where:
Base-Base interactions energy: -1270.030
where: short stacking energy: -521.568
Base-Backbone interact. energy: -2.639
local terms energy: -534.790946
where:
bonds (distance) C4'-P energy: -92.527
bonds (distance) P-C4' energy: -97.459
flat angles C4'-P-C4' energy: -118.814
flat angles P-C4'-P energy: -78.230
tors. eta vs tors. theta energy: -147.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1718.566857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.566857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.566857 (E_RNA)
where:
Base-Base interactions energy: -1216.865
where: short stacking energy: -493.133
Base-Backbone interact. energy: -1.941
local terms energy: -499.760192
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -85.891
flat angles C4'-P-C4' energy: -103.736
flat angles P-C4'-P energy: -75.627
tors. eta vs tors. theta energy: -143.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1670.536328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.536328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.536328 (E_RNA)
where:
Base-Base interactions energy: -1189.397
where: short stacking energy: -493.351
Base-Backbone interact. energy: -1.122
local terms energy: -480.017198
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -84.866
flat angles C4'-P-C4' energy: -95.665
flat angles P-C4'-P energy: -67.724
tors. eta vs tors. theta energy: -139.992
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: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1656.994221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.994221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.994221 (E_RNA)
where:
Base-Base interactions energy: -1168.120
where: short stacking energy: -458.234
Base-Backbone interact. energy: -0.538
local terms energy: -488.336284
where:
bonds (distance) C4'-P energy: -84.961
bonds (distance) P-C4' energy: -88.376
flat angles C4'-P-C4' energy: -104.258
flat angles P-C4'-P energy: -69.267
tors. eta vs tors. theta energy: -141.474
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1544.128927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.128927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.128927 (E_RNA)
where:
Base-Base interactions energy: -1098.128
where: short stacking energy: -468.649
Base-Backbone interact. energy: -3.718
local terms energy: -442.283267
where:
bonds (distance) C4'-P energy: -83.569
bonds (distance) P-C4' energy: -68.957
flat angles C4'-P-C4' energy: -94.213
flat angles P-C4'-P energy: -66.019
tors. eta vs tors. theta energy: -129.525
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: 282
Temperature: 1.200000
Total energy: -1321.957566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.957566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.957566 (E_RNA)
where:
Base-Base interactions energy: -913.812
where: short stacking energy: -379.649
Base-Backbone interact. energy: -1.496
local terms energy: -406.649717
where:
bonds (distance) C4'-P energy: -90.550
bonds (distance) P-C4' energy: -75.586
flat angles C4'-P-C4' energy: -92.591
flat angles P-C4'-P energy: -47.151
tors. eta vs tors. theta energy: -100.771
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: 282
Temperature: 1.250000
Total energy: -1263.510941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.510941 (E_RNA)
where:
Base-Base interactions energy: -875.465
where: short stacking energy: -388.188
Base-Backbone interact. energy: 3.503
local terms energy: -391.549096
where:
bonds (distance) C4'-P energy: -78.814
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -93.939
flat angles P-C4'-P energy: -57.516
tors. eta vs tors. theta energy: -94.048
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: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -899.036553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.036553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.036553 (E_RNA)
where:
Base-Base interactions energy: -565.122
where: short stacking energy: -236.779
Base-Backbone interact. energy: 1.049
local terms energy: -334.963604
where:
bonds (distance) C4'-P energy: -76.213
bonds (distance) P-C4' energy: -89.389
flat angles C4'-P-C4' energy: -82.917
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -32.785
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: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -754.244263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.244263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.244263 (E_RNA)
where:
Base-Base interactions energy: -459.796
where: short stacking energy: -216.734
Base-Backbone interact. energy: 0.478
local terms energy: -294.925785
where:
bonds (distance) C4'-P energy: -70.664
bonds (distance) P-C4' energy: -79.811
flat angles C4'-P-C4' energy: -79.136
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: -23.494
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: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1852.104727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.104727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.104727 (E_RNA)
where:
Base-Base interactions energy: -1323.705
where: short stacking energy: -533.391
Base-Backbone interact. energy: -0.888
local terms energy: -527.511553
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -93.745
flat angles C4'-P-C4' energy: -113.954
flat angles P-C4'-P energy: -74.880
tors. eta vs tors. theta energy: -148.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1819.201721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.201721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.201721 (E_RNA)
where:
Base-Base interactions energy: -1285.131
where: short stacking energy: -531.769
Base-Backbone interact. energy: -3.656
local terms energy: -530.413939
where:
bonds (distance) C4'-P energy: -79.533
bonds (distance) P-C4' energy: -101.754
flat angles C4'-P-C4' energy: -114.178
flat angles P-C4'-P energy: -81.973
tors. eta vs tors. theta energy: -152.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1726.854745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.854745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.854745 (E_RNA)
where:
Base-Base interactions energy: -1204.234
where: short stacking energy: -500.109
Base-Backbone interact. energy: -4.875
local terms energy: -517.745693
where:
bonds (distance) C4'-P energy: -90.020
bonds (distance) P-C4' energy: -97.376
flat angles C4'-P-C4' energy: -108.978
flat angles P-C4'-P energy: -71.158
tors. eta vs tors. theta energy: -150.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1708.583001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.583001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.583001 (E_RNA)
where:
Base-Base interactions energy: -1179.982
where: short stacking energy: -511.515
Base-Backbone interact. energy: -2.326
local terms energy: -526.275008
where:
bonds (distance) C4'-P energy: -91.041
bonds (distance) P-C4' energy: -100.120
flat angles C4'-P-C4' energy: -110.801
flat angles P-C4'-P energy: -77.744
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1669.096709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.096709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.096709 (E_RNA)
where:
Base-Base interactions energy: -1200.757
where: short stacking energy: -484.724
Base-Backbone interact. energy: -1.571
local terms energy: -466.768009
where:
bonds (distance) C4'-P energy: -73.409
bonds (distance) P-C4' energy: -79.715
flat angles C4'-P-C4' energy: -109.235
flat angles P-C4'-P energy: -65.659
tors. eta vs tors. theta energy: -138.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1511.597302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.597302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.597302 (E_RNA)
where:
Base-Base interactions energy: -1084.098
where: short stacking energy: -438.776
Base-Backbone interact. energy: -0.915
local terms energy: -426.584075
where:
bonds (distance) C4'-P energy: -78.221
bonds (distance) P-C4' energy: -85.616
flat angles C4'-P-C4' energy: -88.501
flat angles P-C4'-P energy: -55.595
tors. eta vs tors. theta energy: -118.651
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1368.501427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.501427 (E_RNA)
where:
Base-Base interactions energy: -948.697
where: short stacking energy: -401.015
Base-Backbone interact. energy: 4.188
local terms energy: -423.991991
where:
bonds (distance) C4'-P energy: -76.621
bonds (distance) P-C4' energy: -85.558
flat angles C4'-P-C4' energy: -85.874
flat angles P-C4'-P energy: -67.023
tors. eta vs tors. theta energy: -108.916
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: 283
Temperature: 1.250000
Total energy: -1272.753725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.753725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.753725 (E_RNA)
where:
Base-Base interactions energy: -883.210
where: short stacking energy: -387.641
Base-Backbone interact. energy: 2.963
local terms energy: -392.507082
where:
bonds (distance) C4'-P energy: -71.690
bonds (distance) P-C4' energy: -68.953
flat angles C4'-P-C4' energy: -104.688
flat angles P-C4'-P energy: -61.042
tors. eta vs tors. theta energy: -86.134
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: 283
Temperature: 1.300000
Total energy: -883.916737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.916737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.916737 (E_RNA)
where:
Base-Base interactions energy: -575.245
where: short stacking energy: -249.639
Base-Backbone interact. energy: -1.011
local terms energy: -307.660074
where:
bonds (distance) C4'-P energy: -61.354
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -73.784
flat angles P-C4'-P energy: -52.884
tors. eta vs tors. theta energy: -39.902
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: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -751.166092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.166092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.166092 (E_RNA)
where:
Base-Base interactions energy: -461.131
where: short stacking energy: -221.476
Base-Backbone interact. energy: -0.696
local terms energy: -289.338278
where:
bonds (distance) C4'-P energy: -66.981
bonds (distance) P-C4' energy: -74.280
flat angles C4'-P-C4' energy: -77.961
flat angles P-C4'-P energy: -50.177
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1848.826961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.826961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.826961 (E_RNA)
where:
Base-Base interactions energy: -1294.481
where: short stacking energy: -533.194
Base-Backbone interact. energy: -2.139
local terms energy: -552.207279
where:
bonds (distance) C4'-P energy: -94.029
bonds (distance) P-C4' energy: -103.528
flat angles C4'-P-C4' energy: -115.477
flat angles P-C4'-P energy: -83.245
tors. eta vs tors. theta energy: -155.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1806.268734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.268734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.268734 (E_RNA)
where:
Base-Base interactions energy: -1276.940
where: short stacking energy: -533.322
Base-Backbone interact. energy: -3.397
local terms energy: -525.932454
where:
bonds (distance) C4'-P energy: -79.188
bonds (distance) P-C4' energy: -92.832
flat angles C4'-P-C4' energy: -114.293
flat angles P-C4'-P energy: -85.195
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: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1753.516174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.516174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.516174 (E_RNA)
where:
Base-Base interactions energy: -1227.108
where: short stacking energy: -528.306
Base-Backbone interact. energy: -1.926
local terms energy: -524.481950
where:
bonds (distance) C4'-P energy: -90.342
bonds (distance) P-C4' energy: -96.186
flat angles C4'-P-C4' energy: -110.674
flat angles P-C4'-P energy: -76.545
tors. eta vs tors. theta energy: -150.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1716.174877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.174877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.174877 (E_RNA)
where:
Base-Base interactions energy: -1191.852
where: short stacking energy: -481.411
Base-Backbone interact. energy: -2.414
local terms energy: -521.909010
where:
bonds (distance) C4'-P energy: -101.576
bonds (distance) P-C4' energy: -96.467
flat angles C4'-P-C4' energy: -110.928
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -139.318
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: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1666.002768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.002768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.002768 (E_RNA)
where:
Base-Base interactions energy: -1167.788
where: short stacking energy: -490.236
Base-Backbone interact. energy: -0.045
local terms energy: -498.169684
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -85.549
flat angles C4'-P-C4' energy: -111.319
flat angles P-C4'-P energy: -76.922
tors. eta vs tors. theta energy: -151.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1541.552101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.552101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.552101 (E_RNA)
where:
Base-Base interactions energy: -1093.844
where: short stacking energy: -455.803
Base-Backbone interact. energy: -4.006
local terms energy: -443.702048
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -86.204
flat angles C4'-P-C4' energy: -91.636
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -131.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1401.409804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.409804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.409804 (E_RNA)
where:
Base-Base interactions energy: -968.961
where: short stacking energy: -424.894
Base-Backbone interact. energy: 1.524
local terms energy: -433.973036
where:
bonds (distance) C4'-P energy: -88.775
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -98.393
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -116.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1379.793116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.793116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.793116 (E_RNA)
where:
Base-Base interactions energy: -979.270
where: short stacking energy: -429.566
Base-Backbone interact. energy: 0.516
local terms energy: -401.039297
where:
bonds (distance) C4'-P energy: -85.279
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -81.996
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -111.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -907.834837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.834837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.834837 (E_RNA)
where:
Base-Base interactions energy: -583.623
where: short stacking energy: -264.692
Base-Backbone interact. energy: 1.702
local terms energy: -325.913164
where:
bonds (distance) C4'-P energy: -77.012
bonds (distance) P-C4' energy: -84.681
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -51.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -775.933190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.933190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.933190 (E_RNA)
where:
Base-Base interactions energy: -481.121
where: short stacking energy: -210.569
Base-Backbone interact. energy: -4.105
local terms energy: -290.707530
where:
bonds (distance) C4'-P energy: -79.335
bonds (distance) P-C4' energy: -73.989
flat angles C4'-P-C4' energy: -68.561
flat angles P-C4'-P energy: -52.375
tors. eta vs tors. theta energy: -16.448
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1839.344620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.344620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.344620 (E_RNA)
where:
Base-Base interactions energy: -1302.014
where: short stacking energy: -554.959
Base-Backbone interact. energy: -2.730
local terms energy: -534.600732
where:
bonds (distance) C4'-P energy: -94.319
bonds (distance) P-C4' energy: -94.074
flat angles C4'-P-C4' energy: -114.615
flat angles P-C4'-P energy: -74.243
tors. eta vs tors. theta energy: -157.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1823.081539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.081539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.081539 (E_RNA)
where:
Base-Base interactions energy: -1301.510
where: short stacking energy: -536.098
Base-Backbone interact. energy: 0.178
local terms energy: -521.749848
where:
bonds (distance) C4'-P energy: -83.432
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -111.038
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -155.735
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: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1757.595691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.595691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.595691 (E_RNA)
where:
Base-Base interactions energy: -1240.903
where: short stacking energy: -514.273
Base-Backbone interact. energy: -1.855
local terms energy: -514.837272
where:
bonds (distance) C4'-P energy: -97.712
bonds (distance) P-C4' energy: -86.132
flat angles C4'-P-C4' energy: -99.773
flat angles P-C4'-P energy: -70.286
tors. eta vs tors. theta energy: -160.935
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1680.036312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.036312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.036312 (E_RNA)
where:
Base-Base interactions energy: -1185.466
where: short stacking energy: -478.012
Base-Backbone interact. energy: 1.466
local terms energy: -496.035880
where:
bonds (distance) C4'-P energy: -87.104
bonds (distance) P-C4' energy: -84.194
flat angles C4'-P-C4' energy: -113.772
flat angles P-C4'-P energy: -69.440
tors. eta vs tors. theta energy: -141.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1679.109725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.109725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.109725 (E_RNA)
where:
Base-Base interactions energy: -1187.191
where: short stacking energy: -472.651
Base-Backbone interact. energy: -1.291
local terms energy: -490.627395
where:
bonds (distance) C4'-P energy: -80.261
bonds (distance) P-C4' energy: -97.938
flat angles C4'-P-C4' energy: -104.144
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -139.245
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1517.162235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.162235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.162235 (E_RNA)
where:
Base-Base interactions energy: -1068.020
where: short stacking energy: -446.552
Base-Backbone interact. energy: 1.137
local terms energy: -450.278806
where:
bonds (distance) C4'-P energy: -70.073
bonds (distance) P-C4' energy: -76.755
flat angles C4'-P-C4' energy: -111.166
flat angles P-C4'-P energy: -67.327
tors. eta vs tors. theta energy: -124.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1379.198053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.198053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.198053 (E_RNA)
where:
Base-Base interactions energy: -962.534
where: short stacking energy: -403.556
Base-Backbone interact. energy: -2.596
local terms energy: -414.068378
where:
bonds (distance) C4'-P energy: -72.553
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -92.353
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -107.493
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: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1371.937118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.937118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.937118 (E_RNA)
where:
Base-Base interactions energy: -958.933
where: short stacking energy: -387.772
Base-Backbone interact. energy: -4.343
local terms energy: -408.661877
where:
bonds (distance) C4'-P energy: -67.801
bonds (distance) P-C4' energy: -88.458
flat angles C4'-P-C4' energy: -88.135
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -110.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -914.242876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.242876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.242876 (E_RNA)
where:
Base-Base interactions energy: -554.239
where: short stacking energy: -256.785
Base-Backbone interact. energy: -0.543
local terms energy: -359.460742
where:
bonds (distance) C4'-P energy: -78.665
bonds (distance) P-C4' energy: -94.363
flat angles C4'-P-C4' energy: -88.729
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -43.536
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: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -816.148815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.148815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.148815 (E_RNA)
where:
Base-Base interactions energy: -501.145
where: short stacking energy: -219.873
Base-Backbone interact. energy: -0.099
local terms energy: -314.904508
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -96.150
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: -18.178
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: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1830.645949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.645949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.645949 (E_RNA)
where:
Base-Base interactions energy: -1280.765
where: short stacking energy: -546.073
Base-Backbone interact. energy: -0.146
local terms energy: -549.734617
where:
bonds (distance) C4'-P energy: -95.827
bonds (distance) P-C4' energy: -96.448
flat angles C4'-P-C4' energy: -111.578
flat angles P-C4'-P energy: -78.940
tors. eta vs tors. theta energy: -166.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1810.400621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.400621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.400621 (E_RNA)
where:
Base-Base interactions energy: -1283.147
where: short stacking energy: -523.535
Base-Backbone interact. energy: -2.781
local terms energy: -524.472626
where:
bonds (distance) C4'-P energy: -89.492
bonds (distance) P-C4' energy: -99.423
flat angles C4'-P-C4' energy: -106.058
flat angles P-C4'-P energy: -82.081
tors. eta vs tors. theta energy: -147.419
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: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1742.623408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.623408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.623408 (E_RNA)
where:
Base-Base interactions energy: -1221.317
where: short stacking energy: -505.479
Base-Backbone interact. energy: -2.436
local terms energy: -518.870561
where:
bonds (distance) C4'-P energy: -89.689
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -115.352
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -152.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1699.684603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.684603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.684603 (E_RNA)
where:
Base-Base interactions energy: -1206.867
where: short stacking energy: -515.822
Base-Backbone interact. energy: -2.592
local terms energy: -490.226419
where:
bonds (distance) C4'-P energy: -81.808
bonds (distance) P-C4' energy: -94.446
flat angles C4'-P-C4' energy: -102.535
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -143.343
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1646.909343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.909343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.909343 (E_RNA)
where:
Base-Base interactions energy: -1165.963
where: short stacking energy: -468.312
Base-Backbone interact. energy: 0.296
local terms energy: -481.242541
where:
bonds (distance) C4'-P energy: -89.372
bonds (distance) P-C4' energy: -94.117
flat angles C4'-P-C4' energy: -114.399
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -119.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1525.453216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.453216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.453216 (E_RNA)
where:
Base-Base interactions energy: -1057.747
where: short stacking energy: -436.410
Base-Backbone interact. energy: 0.217
local terms energy: -467.923292
where:
bonds (distance) C4'-P energy: -81.558
bonds (distance) P-C4' energy: -82.676
flat angles C4'-P-C4' energy: -111.736
flat angles P-C4'-P energy: -71.349
tors. eta vs tors. theta energy: -120.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1429.350986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.350986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.350986 (E_RNA)
where:
Base-Base interactions energy: -1007.190
where: short stacking energy: -419.816
Base-Backbone interact. energy: 1.750
local terms energy: -423.911881
where:
bonds (distance) C4'-P energy: -82.654
bonds (distance) P-C4' energy: -71.911
flat angles C4'-P-C4' energy: -97.673
flat angles P-C4'-P energy: -59.713
tors. eta vs tors. theta energy: -111.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1363.059728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.059728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.059728 (E_RNA)
where:
Base-Base interactions energy: -941.396
where: short stacking energy: -387.024
Base-Backbone interact. energy: -1.437
local terms energy: -420.225981
where:
bonds (distance) C4'-P energy: -75.994
bonds (distance) P-C4' energy: -92.223
flat angles C4'-P-C4' energy: -98.206
flat angles P-C4'-P energy: -60.103
tors. eta vs tors. theta energy: -93.699
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: 286
Temperature: 1.300000
Total energy: -918.855257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.855257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.855257 (E_RNA)
where:
Base-Base interactions energy: -585.295
where: short stacking energy: -252.917
Base-Backbone interact. energy: -2.976
local terms energy: -330.584490
where:
bonds (distance) C4'-P energy: -85.317
bonds (distance) P-C4' energy: -74.910
flat angles C4'-P-C4' energy: -82.060
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -45.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -791.697841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.697841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.697841 (E_RNA)
where:
Base-Base interactions energy: -488.845
where: short stacking energy: -225.956
Base-Backbone interact. energy: -1.961
local terms energy: -300.892262
where:
bonds (distance) C4'-P energy: -77.646
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -79.355
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1806.289278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.289278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.289278 (E_RNA)
where:
Base-Base interactions energy: -1260.645
where: short stacking energy: -535.859
Base-Backbone interact. energy: -0.234
local terms energy: -545.409997
where:
bonds (distance) C4'-P energy: -101.858
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -106.405
flat angles P-C4'-P energy: -73.513
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1817.963755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.963755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.963755 (E_RNA)
where:
Base-Base interactions energy: -1307.922
where: short stacking energy: -520.950
Base-Backbone interact. energy: -0.680
local terms energy: -509.362009
where:
bonds (distance) C4'-P energy: -72.137
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -120.664
flat angles P-C4'-P energy: -72.737
tors. eta vs tors. theta energy: -148.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1715.721569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.721569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.721569 (E_RNA)
where:
Base-Base interactions energy: -1220.732
where: short stacking energy: -494.731
Base-Backbone interact. energy: 0.200
local terms energy: -495.189440
where:
bonds (distance) C4'-P energy: -94.110
bonds (distance) P-C4' energy: -96.963
flat angles C4'-P-C4' energy: -96.089
flat angles P-C4'-P energy: -61.297
tors. eta vs tors. theta energy: -146.730
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: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1690.744780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.744780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.744780 (E_RNA)
where:
Base-Base interactions energy: -1178.362
where: short stacking energy: -464.902
Base-Backbone interact. energy: -3.236
local terms energy: -509.146209
where:
bonds (distance) C4'-P energy: -83.372
bonds (distance) P-C4' energy: -99.633
flat angles C4'-P-C4' energy: -107.207
flat angles P-C4'-P energy: -76.062
tors. eta vs tors. theta energy: -142.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1668.499533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.499533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.499533 (E_RNA)
where:
Base-Base interactions energy: -1165.078
where: short stacking energy: -479.141
Base-Backbone interact. energy: -1.024
local terms energy: -502.397547
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -102.835
flat angles C4'-P-C4' energy: -93.547
flat angles P-C4'-P energy: -79.542
tors. eta vs tors. theta energy: -146.381
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: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1515.085929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.085929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.085929 (E_RNA)
where:
Base-Base interactions energy: -1068.851
where: short stacking energy: -447.311
Base-Backbone interact. energy: -0.972
local terms energy: -445.262926
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -88.744
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -61.925
tors. eta vs tors. theta energy: -113.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1437.172755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.172755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.172755 (E_RNA)
where:
Base-Base interactions energy: -986.588
where: short stacking energy: -414.598
Base-Backbone interact. energy: 0.616
local terms energy: -451.201015
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -90.140
flat angles C4'-P-C4' energy: -94.688
flat angles P-C4'-P energy: -56.977
tors. eta vs tors. theta energy: -114.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1313.891404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.891404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.891404 (E_RNA)
where:
Base-Base interactions energy: -903.499
where: short stacking energy: -387.499
Base-Backbone interact. energy: -1.483
local terms energy: -408.909446
where:
bonds (distance) C4'-P energy: -78.324
bonds (distance) P-C4' energy: -89.747
flat angles C4'-P-C4' energy: -78.472
flat angles P-C4'-P energy: -55.994
tors. eta vs tors. theta energy: -106.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -898.635436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.635436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.635436 (E_RNA)
where:
Base-Base interactions energy: -580.540
where: short stacking energy: -266.409
Base-Backbone interact. energy: -2.155
local terms energy: -315.940698
where:
bonds (distance) C4'-P energy: -60.073
bonds (distance) P-C4' energy: -84.270
flat angles C4'-P-C4' energy: -88.421
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -34.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -795.787953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.787953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.787953 (E_RNA)
where:
Base-Base interactions energy: -499.403
where: short stacking energy: -229.676
Base-Backbone interact. energy: 1.725
local terms energy: -298.109948
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -87.981
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -58.194
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1855.309178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.309178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.309178 (E_RNA)
where:
Base-Base interactions energy: -1317.087
where: short stacking energy: -507.583
Base-Backbone interact. energy: -0.363
local terms energy: -537.859460
where:
bonds (distance) C4'-P energy: -98.700
bonds (distance) P-C4' energy: -96.699
flat angles C4'-P-C4' energy: -112.296
flat angles P-C4'-P energy: -82.411
tors. eta vs tors. theta energy: -147.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1781.631031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.631031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.631031 (E_RNA)
where:
Base-Base interactions energy: -1235.405
where: short stacking energy: -532.059
Base-Backbone interact. energy: -2.621
local terms energy: -543.605077
where:
bonds (distance) C4'-P energy: -93.667
bonds (distance) P-C4' energy: -103.154
flat angles C4'-P-C4' energy: -114.820
flat angles P-C4'-P energy: -78.105
tors. eta vs tors. theta energy: -153.859
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: 288
Temperature: 1.000000
Total energy: -1713.648473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.648473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.648473 (E_RNA)
where:
Base-Base interactions energy: -1196.528
where: short stacking energy: -491.494
Base-Backbone interact. energy: -0.589
local terms energy: -516.531453
where:
bonds (distance) C4'-P energy: -88.919
bonds (distance) P-C4' energy: -95.156
flat angles C4'-P-C4' energy: -111.944
flat angles P-C4'-P energy: -73.966
tors. eta vs tors. theta energy: -146.547
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1672.459063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.459063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.459063 (E_RNA)
where:
Base-Base interactions energy: -1185.292
where: short stacking energy: -494.129
Base-Backbone interact. energy: -1.386
local terms energy: -485.780766
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -89.375
flat angles P-C4'-P energy: -73.163
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: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1667.774467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.774467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.774467 (E_RNA)
where:
Base-Base interactions energy: -1172.442
where: short stacking energy: -482.192
Base-Backbone interact. energy: -1.478
local terms energy: -493.854281
where:
bonds (distance) C4'-P energy: -84.581
bonds (distance) P-C4' energy: -84.443
flat angles C4'-P-C4' energy: -109.665
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -142.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1496.491868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.491868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.491868 (E_RNA)
where:
Base-Base interactions energy: -1038.973
where: short stacking energy: -415.881
Base-Backbone interact. energy: -0.467
local terms energy: -457.051513
where:
bonds (distance) C4'-P energy: -83.243
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -94.037
flat angles P-C4'-P energy: -73.808
tors. eta vs tors. theta energy: -113.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1335.896170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.896170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.896170 (E_RNA)
where:
Base-Base interactions energy: -917.677
where: short stacking energy: -373.074
Base-Backbone interact. energy: -1.507
local terms energy: -416.712865
where:
bonds (distance) C4'-P energy: -84.143
bonds (distance) P-C4' energy: -78.084
flat angles C4'-P-C4' energy: -88.153
flat angles P-C4'-P energy: -69.364
tors. eta vs tors. theta energy: -96.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1287.289852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.289852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.289852 (E_RNA)
where:
Base-Base interactions energy: -898.410
where: short stacking energy: -367.834
Base-Backbone interact. energy: -0.868
local terms energy: -388.011963
where:
bonds (distance) C4'-P energy: -69.175
bonds (distance) P-C4' energy: -75.919
flat angles C4'-P-C4' energy: -88.957
flat angles P-C4'-P energy: -61.903
tors. eta vs tors. theta energy: -92.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -880.528729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.528729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.528729 (E_RNA)
where:
Base-Base interactions energy: -544.273
where: short stacking energy: -246.342
Base-Backbone interact. energy: 3.779
local terms energy: -340.034352
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -79.968
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -748.750083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.750083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.750083 (E_RNA)
where:
Base-Base interactions energy: -430.116
where: short stacking energy: -201.328
Base-Backbone interact. energy: 1.748
local terms energy: -320.381693
where:
bonds (distance) C4'-P energy: -76.966
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -65.018
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1851.825414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.825414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.825414 (E_RNA)
where:
Base-Base interactions energy: -1324.649
where: short stacking energy: -539.896
Base-Backbone interact. energy: -1.698
local terms energy: -525.478502
where:
bonds (distance) C4'-P energy: -89.769
bonds (distance) P-C4' energy: -99.140
flat angles C4'-P-C4' energy: -110.169
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -150.262
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: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1789.469990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.469990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.469990 (E_RNA)
where:
Base-Base interactions energy: -1252.957
where: short stacking energy: -533.837
Base-Backbone interact. energy: -0.811
local terms energy: -535.702294
where:
bonds (distance) C4'-P energy: -94.018
bonds (distance) P-C4' energy: -99.136
flat angles C4'-P-C4' energy: -113.886
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -156.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1713.349214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.349214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.349214 (E_RNA)
where:
Base-Base interactions energy: -1191.200
where: short stacking energy: -482.810
Base-Backbone interact. energy: -3.311
local terms energy: -518.837873
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -102.022
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -151.161
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: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1705.607888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.607888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.607888 (E_RNA)
where:
Base-Base interactions energy: -1210.480
where: short stacking energy: -518.449
Base-Backbone interact. energy: -2.152
local terms energy: -492.975828
where:
bonds (distance) C4'-P energy: -84.368
bonds (distance) P-C4' energy: -85.898
flat angles C4'-P-C4' energy: -101.102
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -151.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1656.804420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.804420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.804420 (E_RNA)
where:
Base-Base interactions energy: -1174.669
where: short stacking energy: -508.567
Base-Backbone interact. energy: -2.055
local terms energy: -480.080361
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -88.918
flat angles C4'-P-C4' energy: -100.278
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -139.688
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: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1476.525658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.525658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.525658 (E_RNA)
where:
Base-Base interactions energy: -1034.366
where: short stacking energy: -415.812
Base-Backbone interact. energy: 2.385
local terms energy: -444.545195
where:
bonds (distance) C4'-P energy: -74.691
bonds (distance) P-C4' energy: -100.106
flat angles C4'-P-C4' energy: -93.543
flat angles P-C4'-P energy: -59.171
tors. eta vs tors. theta energy: -117.034
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: 289
Temperature: 1.200000
Total energy: -1379.649107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.649107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.649107 (E_RNA)
where:
Base-Base interactions energy: -969.508
where: short stacking energy: -406.695
Base-Backbone interact. energy: -1.952
local terms energy: -408.188796
where:
bonds (distance) C4'-P energy: -90.510
bonds (distance) P-C4' energy: -72.556
flat angles C4'-P-C4' energy: -95.899
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -97.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1258.393556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.393556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.393556 (E_RNA)
where:
Base-Base interactions energy: -852.706
where: short stacking energy: -347.379
Base-Backbone interact. energy: -4.883
local terms energy: -400.804277
where:
bonds (distance) C4'-P energy: -84.107
bonds (distance) P-C4' energy: -76.208
flat angles C4'-P-C4' energy: -85.393
flat angles P-C4'-P energy: -67.781
tors. eta vs tors. theta energy: -87.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -922.500222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.500222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.500222 (E_RNA)
where:
Base-Base interactions energy: -599.798
where: short stacking energy: -272.485
Base-Backbone interact. energy: -1.727
local terms energy: -320.975349
where:
bonds (distance) C4'-P energy: -76.832
bonds (distance) P-C4' energy: -74.959
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -50.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -819.779486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.779486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.779486 (E_RNA)
where:
Base-Base interactions energy: -508.937
where: short stacking energy: -229.053
Base-Backbone interact. energy: -0.697
local terms energy: -310.145053
where:
bonds (distance) C4'-P energy: -75.289
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -73.581
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1849.031640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.031640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.031640 (E_RNA)
where:
Base-Base interactions energy: -1314.072
where: short stacking energy: -519.770
Base-Backbone interact. energy: 1.492
local terms energy: -536.451284
where:
bonds (distance) C4'-P energy: -96.923
bonds (distance) P-C4' energy: -97.754
flat angles C4'-P-C4' energy: -113.416
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -145.135
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: 290
Temperature: 0.950000
Total energy: -1784.862523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.862523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.862523 (E_RNA)
where:
Base-Base interactions energy: -1243.687
where: short stacking energy: -530.326
Base-Backbone interact. energy: -2.370
local terms energy: -538.805567
where:
bonds (distance) C4'-P energy: -94.266
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -116.993
flat angles P-C4'-P energy: -77.454
tors. eta vs tors. theta energy: -158.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1737.813813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.813813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.813813 (E_RNA)
where:
Base-Base interactions energy: -1211.128
where: short stacking energy: -492.217
Base-Backbone interact. energy: -3.118
local terms energy: -523.567237
where:
bonds (distance) C4'-P energy: -83.098
bonds (distance) P-C4' energy: -105.175
flat angles C4'-P-C4' energy: -112.512
flat angles P-C4'-P energy: -73.847
tors. eta vs tors. theta energy: -148.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1708.107300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.107300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.107300 (E_RNA)
where:
Base-Base interactions energy: -1199.491
where: short stacking energy: -493.742
Base-Backbone interact. energy: -1.045
local terms energy: -507.571274
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -113.328
flat angles P-C4'-P energy: -76.126
tors. eta vs tors. theta energy: -142.777
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: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1670.710799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.710799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.710799 (E_RNA)
where:
Base-Base interactions energy: -1190.656
where: short stacking energy: -493.260
Base-Backbone interact. energy: -2.557
local terms energy: -477.497210
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -74.014
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -73.268
tors. eta vs tors. theta energy: -150.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1486.743216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.743216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.743216 (E_RNA)
where:
Base-Base interactions energy: -1057.562
where: short stacking energy: -452.229
Base-Backbone interact. energy: 2.573
local terms energy: -431.754201
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -77.596
flat angles C4'-P-C4' energy: -91.263
flat angles P-C4'-P energy: -61.442
tors. eta vs tors. theta energy: -124.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1309.875436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.875436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.875436 (E_RNA)
where:
Base-Base interactions energy: -903.523
where: short stacking energy: -381.431
Base-Backbone interact. energy: -0.512
local terms energy: -405.840404
where:
bonds (distance) C4'-P energy: -80.811
bonds (distance) P-C4' energy: -80.331
flat angles C4'-P-C4' energy: -87.744
flat angles P-C4'-P energy: -52.693
tors. eta vs tors. theta energy: -104.261
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: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1244.377302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.377302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.377302 (E_RNA)
where:
Base-Base interactions energy: -856.961
where: short stacking energy: -355.570
Base-Backbone interact. energy: -1.786
local terms energy: -385.629805
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -93.497
flat angles C4'-P-C4' energy: -78.942
flat angles P-C4'-P energy: -63.217
tors. eta vs tors. theta energy: -80.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -889.416054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.416054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.416054 (E_RNA)
where:
Base-Base interactions energy: -540.924
where: short stacking energy: -222.123
Base-Backbone interact. energy: 3.185
local terms energy: -351.677477
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -81.091
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -66.835
tors. eta vs tors. theta energy: -46.285
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: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -823.831030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.831030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.831030 (E_RNA)
where:
Base-Base interactions energy: -528.485
where: short stacking energy: -251.979
Base-Backbone interact. energy: -1.731
local terms energy: -293.615134
where:
bonds (distance) C4'-P energy: -77.736
bonds (distance) P-C4' energy: -72.107
flat angles C4'-P-C4' energy: -71.255
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1862.431703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.431703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.431703 (E_RNA)
where:
Base-Base interactions energy: -1333.395
where: short stacking energy: -528.987
Base-Backbone interact. energy: -1.559
local terms energy: -527.478020
where:
bonds (distance) C4'-P energy: -91.407
bonds (distance) P-C4' energy: -97.263
flat angles C4'-P-C4' energy: -117.373
flat angles P-C4'-P energy: -75.564
tors. eta vs tors. theta energy: -145.870
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1779.101245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.101245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.101245 (E_RNA)
where:
Base-Base interactions energy: -1250.220
where: short stacking energy: -522.380
Base-Backbone interact. energy: 0.261
local terms energy: -529.141810
where:
bonds (distance) C4'-P energy: -98.715
bonds (distance) P-C4' energy: -88.308
flat angles C4'-P-C4' energy: -117.365
flat angles P-C4'-P energy: -71.824
tors. eta vs tors. theta energy: -152.929
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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1740.335501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.335501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.335501 (E_RNA)
where:
Base-Base interactions energy: -1232.012
where: short stacking energy: -506.498
Base-Backbone interact. energy: -2.421
local terms energy: -505.902266
where:
bonds (distance) C4'-P energy: -94.575
bonds (distance) P-C4' energy: -92.453
flat angles C4'-P-C4' energy: -104.096
flat angles P-C4'-P energy: -71.293
tors. eta vs tors. theta energy: -143.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1710.511744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.511744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.511744 (E_RNA)
where:
Base-Base interactions energy: -1201.797
where: short stacking energy: -510.725
Base-Backbone interact. energy: -0.754
local terms energy: -507.960580
where:
bonds (distance) C4'-P energy: -96.936
bonds (distance) P-C4' energy: -85.676
flat angles C4'-P-C4' energy: -111.598
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -140.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1663.936177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.936177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.936177 (E_RNA)
where:
Base-Base interactions energy: -1163.320
where: short stacking energy: -467.537
Base-Backbone interact. energy: -1.396
local terms energy: -499.220070
where:
bonds (distance) C4'-P energy: -86.319
bonds (distance) P-C4' energy: -86.917
flat angles C4'-P-C4' energy: -104.693
flat angles P-C4'-P energy: -75.185
tors. eta vs tors. theta energy: -146.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1459.849849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.849849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.849849 (E_RNA)
where:
Base-Base interactions energy: -1010.585
where: short stacking energy: -426.673
Base-Backbone interact. energy: 1.135
local terms energy: -450.399992
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -84.689
flat angles C4'-P-C4' energy: -101.867
flat angles P-C4'-P energy: -65.099
tors. eta vs tors. theta energy: -115.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1333.562767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.562767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.562767 (E_RNA)
where:
Base-Base interactions energy: -934.742
where: short stacking energy: -374.539
Base-Backbone interact. energy: -2.076
local terms energy: -396.745038
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -80.837
flat angles C4'-P-C4' energy: -89.781
flat angles P-C4'-P energy: -41.376
tors. eta vs tors. theta energy: -101.167
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: 291
Temperature: 1.250000
Total energy: -1308.612913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.612913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.612913 (E_RNA)
where:
Base-Base interactions energy: -901.699
where: short stacking energy: -363.032
Base-Backbone interact. energy: 0.363
local terms energy: -407.277005
where:
bonds (distance) C4'-P energy: -83.280
bonds (distance) P-C4' energy: -79.508
flat angles C4'-P-C4' energy: -100.864
flat angles P-C4'-P energy: -49.131
tors. eta vs tors. theta energy: -94.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -872.045702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.045702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.045702 (E_RNA)
where:
Base-Base interactions energy: -564.081
where: short stacking energy: -282.362
Base-Backbone interact. energy: -1.968
local terms energy: -305.996943
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -58.245
flat angles C4'-P-C4' energy: -76.314
flat angles P-C4'-P energy: -54.611
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -808.538460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.538460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.538460 (E_RNA)
where:
Base-Base interactions energy: -508.793
where: short stacking energy: -217.950
Base-Backbone interact. energy: -1.150
local terms energy: -298.595373
where:
bonds (distance) C4'-P energy: -84.531
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1845.903819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.903819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.903819 (E_RNA)
where:
Base-Base interactions energy: -1307.179
where: short stacking energy: -527.027
Base-Backbone interact. energy: -2.352
local terms energy: -536.373245
where:
bonds (distance) C4'-P energy: -92.911
bonds (distance) P-C4' energy: -106.062
flat angles C4'-P-C4' energy: -116.405
flat angles P-C4'-P energy: -70.460
tors. eta vs tors. theta energy: -150.535
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1812.228150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.228150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.228150 (E_RNA)
where:
Base-Base interactions energy: -1291.685
where: short stacking energy: -536.436
Base-Backbone interact. energy: -1.784
local terms energy: -518.759179
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -74.907
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -77.762
tors. eta vs tors. theta energy: -150.281
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1712.935021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.935021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.935021 (E_RNA)
where:
Base-Base interactions energy: -1210.029
where: short stacking energy: -499.482
Base-Backbone interact. energy: 0.368
local terms energy: -503.274497
where:
bonds (distance) C4'-P energy: -82.465
bonds (distance) P-C4' energy: -101.890
flat angles C4'-P-C4' energy: -99.321
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -146.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1669.916021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.916021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.916021 (E_RNA)
where:
Base-Base interactions energy: -1160.547
where: short stacking energy: -477.682
Base-Backbone interact. energy: 1.661
local terms energy: -511.030459
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -111.865
flat angles P-C4'-P energy: -77.610
tors. eta vs tors. theta energy: -127.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1618.367660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.367660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.367660 (E_RNA)
where:
Base-Base interactions energy: -1158.740
where: short stacking energy: -477.412
Base-Backbone interact. energy: 1.191
local terms energy: -460.819004
where:
bonds (distance) C4'-P energy: -75.805
bonds (distance) P-C4' energy: -89.464
flat angles C4'-P-C4' energy: -103.189
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -127.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1452.723330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.723330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.723330 (E_RNA)
where:
Base-Base interactions energy: -1006.510
where: short stacking energy: -432.241
Base-Backbone interact. energy: -1.842
local terms energy: -444.371652
where:
bonds (distance) C4'-P energy: -74.135
bonds (distance) P-C4' energy: -87.360
flat angles C4'-P-C4' energy: -106.430
flat angles P-C4'-P energy: -66.645
tors. eta vs tors. theta energy: -109.803
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: 292
Temperature: 1.200000
Total energy: -1379.501496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.501496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.501496 (E_RNA)
where:
Base-Base interactions energy: -966.830
where: short stacking energy: -413.198
Base-Backbone interact. energy: -2.389
local terms energy: -410.282261
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -72.899
flat angles C4'-P-C4' energy: -96.716
flat angles P-C4'-P energy: -56.783
tors. eta vs tors. theta energy: -106.928
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1310.729650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.729650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.729650 (E_RNA)
where:
Base-Base interactions energy: -892.667
where: short stacking energy: -371.462
Base-Backbone interact. energy: -2.418
local terms energy: -415.645157
where:
bonds (distance) C4'-P energy: -77.100
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -91.560
flat angles P-C4'-P energy: -59.737
tors. eta vs tors. theta energy: -94.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -881.124501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.124501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.124501 (E_RNA)
where:
Base-Base interactions energy: -550.598
where: short stacking energy: -235.677
Base-Backbone interact. energy: -0.348
local terms energy: -330.178345
where:
bonds (distance) C4'-P energy: -73.256
bonds (distance) P-C4' energy: -93.308
flat angles C4'-P-C4' energy: -81.971
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -26.651
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: 292
Temperature: 1.350000
Total energy: -813.879449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.879449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.879449 (E_RNA)
where:
Base-Base interactions energy: -505.525
where: short stacking energy: -223.139
Base-Backbone interact. energy: -1.029
local terms energy: -307.325709
where:
bonds (distance) C4'-P energy: -76.044
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -79.947
flat angles P-C4'-P energy: -50.580
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1852.200598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.200598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.200598 (E_RNA)
where:
Base-Base interactions energy: -1301.317
where: short stacking energy: -527.317
Base-Backbone interact. energy: -2.053
local terms energy: -548.831223
where:
bonds (distance) C4'-P energy: -94.018
bonds (distance) P-C4' energy: -106.634
flat angles C4'-P-C4' energy: -106.639
flat angles P-C4'-P energy: -90.962
tors. eta vs tors. theta energy: -150.578
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: 293
Temperature: 0.950000
Total energy: -1832.465018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.465018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.465018 (E_RNA)
where:
Base-Base interactions energy: -1307.280
where: short stacking energy: -553.383
Base-Backbone interact. energy: -2.036
local terms energy: -523.148467
where:
bonds (distance) C4'-P energy: -84.092
bonds (distance) P-C4' energy: -99.763
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -82.982
tors. eta vs tors. theta energy: -146.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1726.555757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.555757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.555757 (E_RNA)
where:
Base-Base interactions energy: -1217.434
where: short stacking energy: -496.559
Base-Backbone interact. energy: -1.150
local terms energy: -507.971672
where:
bonds (distance) C4'-P energy: -88.321
bonds (distance) P-C4' energy: -93.161
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -79.218
tors. eta vs tors. theta energy: -143.308
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: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1671.957125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.957125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.957125 (E_RNA)
where:
Base-Base interactions energy: -1185.139
where: short stacking energy: -487.042
Base-Backbone interact. energy: -0.847
local terms energy: -485.971455
where:
bonds (distance) C4'-P energy: -78.673
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -117.628
flat angles P-C4'-P energy: -69.676
tors. eta vs tors. theta energy: -140.884
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: 293
Temperature: 1.100000
Total energy: -1661.752134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.752134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.752134 (E_RNA)
where:
Base-Base interactions energy: -1194.345
where: short stacking energy: -495.650
Base-Backbone interact. energy: -3.400
local terms energy: -464.007171
where:
bonds (distance) C4'-P energy: -75.605
bonds (distance) P-C4' energy: -82.427
flat angles C4'-P-C4' energy: -106.685
flat angles P-C4'-P energy: -66.670
tors. eta vs tors. theta energy: -132.621
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: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1481.107935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.107935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.107935 (E_RNA)
where:
Base-Base interactions energy: -1035.480
where: short stacking energy: -415.772
Base-Backbone interact. energy: -2.208
local terms energy: -443.419963
where:
bonds (distance) C4'-P energy: -87.891
bonds (distance) P-C4' energy: -83.235
flat angles C4'-P-C4' energy: -96.998
flat angles P-C4'-P energy: -64.151
tors. eta vs tors. theta energy: -111.145
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1338.013601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.013601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.013601 (E_RNA)
where:
Base-Base interactions energy: -938.607
where: short stacking energy: -376.938
Base-Backbone interact. energy: 1.352
local terms energy: -400.759067
where:
bonds (distance) C4'-P energy: -75.968
bonds (distance) P-C4' energy: -74.915
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -98.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1304.592705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.592705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.592705 (E_RNA)
where:
Base-Base interactions energy: -889.619
where: short stacking energy: -383.270
Base-Backbone interact. energy: 0.050
local terms energy: -415.023857
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -69.215
flat angles C4'-P-C4' energy: -99.929
flat angles P-C4'-P energy: -56.159
tors. eta vs tors. theta energy: -100.604
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: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -813.134068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.134068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.134068 (E_RNA)
where:
Base-Base interactions energy: -485.204
where: short stacking energy: -231.086
Base-Backbone interact. energy: 1.645
local terms energy: -329.575777
where:
bonds (distance) C4'-P energy: -89.195
bonds (distance) P-C4' energy: -73.851
flat angles C4'-P-C4' energy: -88.702
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -838.646777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.646777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.646777 (E_RNA)
where:
Base-Base interactions energy: -477.331
where: short stacking energy: -235.392
Base-Backbone interact. energy: 3.152
local terms energy: -364.467831
where:
bonds (distance) C4'-P energy: -88.059
bonds (distance) P-C4' energy: -87.298
flat angles C4'-P-C4' energy: -89.040
flat angles P-C4'-P energy: -50.426
tors. eta vs tors. theta energy: -49.644
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: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1827.462132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.462132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.462132 (E_RNA)
where:
Base-Base interactions energy: -1293.543
where: short stacking energy: -518.399
Base-Backbone interact. energy: 4.688
local terms energy: -538.607385
where:
bonds (distance) C4'-P energy: -98.136
bonds (distance) P-C4' energy: -100.695
flat angles C4'-P-C4' energy: -106.717
flat angles P-C4'-P energy: -84.629
tors. eta vs tors. theta energy: -148.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1809.534724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.534724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.534724 (E_RNA)
where:
Base-Base interactions energy: -1267.563
where: short stacking energy: -504.976
Base-Backbone interact. energy: -1.589
local terms energy: -540.381870
where:
bonds (distance) C4'-P energy: -95.376
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -107.845
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -154.044
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1724.345284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.345284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.345284 (E_RNA)
where:
Base-Base interactions energy: -1210.109
where: short stacking energy: -496.896
Base-Backbone interact. energy: -1.180
local terms energy: -513.056014
where:
bonds (distance) C4'-P energy: -96.409
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -108.244
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: -145.401
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: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1689.574159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.574159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.574159 (E_RNA)
where:
Base-Base interactions energy: -1184.199
where: short stacking energy: -485.827
Base-Backbone interact. energy: -1.496
local terms energy: -503.880028
where:
bonds (distance) C4'-P energy: -78.655
bonds (distance) P-C4' energy: -103.977
flat angles C4'-P-C4' energy: -110.765
flat angles P-C4'-P energy: -68.798
tors. eta vs tors. theta energy: -141.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1647.210865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.210865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.210865 (E_RNA)
where:
Base-Base interactions energy: -1189.305
where: short stacking energy: -475.882
Base-Backbone interact. energy: -2.611
local terms energy: -455.295635
where:
bonds (distance) C4'-P energy: -69.272
bonds (distance) P-C4' energy: -80.777
flat angles C4'-P-C4' energy: -101.937
flat angles P-C4'-P energy: -79.822
tors. eta vs tors. theta energy: -123.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1471.269619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.269619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.269619 (E_RNA)
where:
Base-Base interactions energy: -1042.798
where: short stacking energy: -425.149
Base-Backbone interact. energy: -2.622
local terms energy: -425.850133
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -94.345
flat angles P-C4'-P energy: -58.828
tors. eta vs tors. theta energy: -110.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1330.518665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.518665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.518665 (E_RNA)
where:
Base-Base interactions energy: -917.667
where: short stacking energy: -411.963
Base-Backbone interact. energy: 1.222
local terms energy: -414.073289
where:
bonds (distance) C4'-P energy: -72.315
bonds (distance) P-C4' energy: -83.442
flat angles C4'-P-C4' energy: -84.723
flat angles P-C4'-P energy: -64.878
tors. eta vs tors. theta energy: -108.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1268.971129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.971129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.971129 (E_RNA)
where:
Base-Base interactions energy: -868.653
where: short stacking energy: -367.812
Base-Backbone interact. energy: 0.704
local terms energy: -401.021990
where:
bonds (distance) C4'-P energy: -70.840
bonds (distance) P-C4' energy: -85.254
flat angles C4'-P-C4' energy: -91.244
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -91.683
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: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -826.443428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.443428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.443428 (E_RNA)
where:
Base-Base interactions energy: -518.161
where: short stacking energy: -233.696
Base-Backbone interact. energy: 1.187
local terms energy: -309.469395
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -85.287
flat angles C4'-P-C4' energy: -66.766
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -39.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -855.019022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.019022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.019022 (E_RNA)
where:
Base-Base interactions energy: -531.010
where: short stacking energy: -257.797
Base-Backbone interact. energy: 0.599
local terms energy: -324.608351
where:
bonds (distance) C4'-P energy: -81.553
bonds (distance) P-C4' energy: -80.149
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: -38.637
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: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1829.472209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.472209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.472209 (E_RNA)
where:
Base-Base interactions energy: -1296.878
where: short stacking energy: -531.067
Base-Backbone interact. energy: 1.961
local terms energy: -534.554700
where:
bonds (distance) C4'-P energy: -102.592
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -108.154
flat angles P-C4'-P energy: -76.348
tors. eta vs tors. theta energy: -147.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1838.683641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.683641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.683641 (E_RNA)
where:
Base-Base interactions energy: -1287.388
where: short stacking energy: -546.970
Base-Backbone interact. energy: -1.255
local terms energy: -550.040221
where:
bonds (distance) C4'-P energy: -97.088
bonds (distance) P-C4' energy: -93.971
flat angles C4'-P-C4' energy: -121.178
flat angles P-C4'-P energy: -83.155
tors. eta vs tors. theta energy: -154.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1721.279184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.279184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.279184 (E_RNA)
where:
Base-Base interactions energy: -1201.500
where: short stacking energy: -501.636
Base-Backbone interact. energy: -3.020
local terms energy: -516.759393
where:
bonds (distance) C4'-P energy: -104.681
bonds (distance) P-C4' energy: -86.755
flat angles C4'-P-C4' energy: -103.167
flat angles P-C4'-P energy: -76.208
tors. eta vs tors. theta energy: -145.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1697.424008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.424008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.424008 (E_RNA)
where:
Base-Base interactions energy: -1181.847
where: short stacking energy: -469.276
Base-Backbone interact. energy: 0.074
local terms energy: -515.650332
where:
bonds (distance) C4'-P energy: -82.552
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -115.536
flat angles P-C4'-P energy: -82.871
tors. eta vs tors. theta energy: -136.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1609.716198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.716198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.716198 (E_RNA)
where:
Base-Base interactions energy: -1146.798
where: short stacking energy: -474.499
Base-Backbone interact. energy: -0.430
local terms energy: -462.487365
where:
bonds (distance) C4'-P energy: -100.560
bonds (distance) P-C4' energy: -90.605
flat angles C4'-P-C4' energy: -96.681
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -126.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1487.060275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.060275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.060275 (E_RNA)
where:
Base-Base interactions energy: -1068.461
where: short stacking energy: -454.740
Base-Backbone interact. energy: 0.610
local terms energy: -419.210041
where:
bonds (distance) C4'-P energy: -73.915
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -99.309
flat angles P-C4'-P energy: -57.934
tors. eta vs tors. theta energy: -113.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1344.531283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.531283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.531283 (E_RNA)
where:
Base-Base interactions energy: -901.858
where: short stacking energy: -385.316
Base-Backbone interact. energy: 1.928
local terms energy: -444.601460
where:
bonds (distance) C4'-P energy: -92.414
bonds (distance) P-C4' energy: -97.990
flat angles C4'-P-C4' energy: -94.365
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -104.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1266.651548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.651548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.651548 (E_RNA)
where:
Base-Base interactions energy: -861.210
where: short stacking energy: -368.312
Base-Backbone interact. energy: -0.448
local terms energy: -404.993620
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -88.244
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -90.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -915.683036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.683036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.683036 (E_RNA)
where:
Base-Base interactions energy: -565.446
where: short stacking energy: -242.619
Base-Backbone interact. energy: -3.134
local terms energy: -347.103170
where:
bonds (distance) C4'-P energy: -82.821
bonds (distance) P-C4' energy: -69.089
flat angles C4'-P-C4' energy: -89.474
flat angles P-C4'-P energy: -58.809
tors. eta vs tors. theta energy: -46.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -843.598078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.598078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.598078 (E_RNA)
where:
Base-Base interactions energy: -532.319
where: short stacking energy: -233.593
Base-Backbone interact. energy: 1.219
local terms energy: -312.497881
where:
bonds (distance) C4'-P energy: -77.238
bonds (distance) P-C4' energy: -72.620
flat angles C4'-P-C4' energy: -67.173
flat angles P-C4'-P energy: -54.757
tors. eta vs tors. theta energy: -40.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1860.061581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.061581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.061581 (E_RNA)
where:
Base-Base interactions energy: -1313.816
where: short stacking energy: -536.129
Base-Backbone interact. energy: -2.221
local terms energy: -544.024161
where:
bonds (distance) C4'-P energy: -97.728
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -111.482
flat angles P-C4'-P energy: -79.293
tors. eta vs tors. theta energy: -152.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1776.459869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.459869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.459869 (E_RNA)
where:
Base-Base interactions energy: -1247.860
where: short stacking energy: -510.651
Base-Backbone interact. energy: -1.035
local terms energy: -527.564715
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -84.808
flat angles C4'-P-C4' energy: -111.563
flat angles P-C4'-P energy: -81.094
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: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1718.509601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.509601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.509601 (E_RNA)
where:
Base-Base interactions energy: -1204.148
where: short stacking energy: -506.741
Base-Backbone interact. energy: -0.473
local terms energy: -513.888480
where:
bonds (distance) C4'-P energy: -93.078
bonds (distance) P-C4' energy: -89.431
flat angles C4'-P-C4' energy: -105.696
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -145.148
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: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1685.009006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.009006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.009006 (E_RNA)
where:
Base-Base interactions energy: -1189.831
where: short stacking energy: -486.311
Base-Backbone interact. energy: -1.933
local terms energy: -493.245471
where:
bonds (distance) C4'-P energy: -83.625
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -67.842
tors. eta vs tors. theta energy: -139.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1517.167210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.167210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.167210 (E_RNA)
where:
Base-Base interactions energy: -1067.676
where: short stacking energy: -442.082
Base-Backbone interact. energy: -1.805
local terms energy: -447.686269
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -97.860
flat angles P-C4'-P energy: -62.746
tors. eta vs tors. theta energy: -118.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1595.749878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.749878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.749878 (E_RNA)
where:
Base-Base interactions energy: -1123.107
where: short stacking energy: -474.512
Base-Backbone interact. energy: 1.689
local terms energy: -474.332106
where:
bonds (distance) C4'-P energy: -88.012
bonds (distance) P-C4' energy: -84.031
flat angles C4'-P-C4' energy: -98.156
flat angles P-C4'-P energy: -64.506
tors. eta vs tors. theta energy: -139.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1326.355187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.355187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.355187 (E_RNA)
where:
Base-Base interactions energy: -898.211
where: short stacking energy: -375.808
Base-Backbone interact. energy: 1.376
local terms energy: -429.519759
where:
bonds (distance) C4'-P energy: -78.003
bonds (distance) P-C4' energy: -85.581
flat angles C4'-P-C4' energy: -99.240
flat angles P-C4'-P energy: -70.227
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1290.331435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.331435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.331435 (E_RNA)
where:
Base-Base interactions energy: -897.688
where: short stacking energy: -383.142
Base-Backbone interact. energy: -1.040
local terms energy: -391.603294
where:
bonds (distance) C4'-P energy: -75.597
bonds (distance) P-C4' energy: -66.986
flat angles C4'-P-C4' energy: -98.034
flat angles P-C4'-P energy: -53.630
tors. eta vs tors. theta energy: -97.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -885.641690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.641690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.641690 (E_RNA)
where:
Base-Base interactions energy: -581.346
where: short stacking energy: -271.118
Base-Backbone interact. energy: -1.381
local terms energy: -302.914105
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: -50.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -867.753050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.753050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.753050 (E_RNA)
where:
Base-Base interactions energy: -516.290
where: short stacking energy: -210.020
Base-Backbone interact. energy: -1.851
local terms energy: -349.611484
where:
bonds (distance) C4'-P energy: -77.929
bonds (distance) P-C4' energy: -84.079
flat angles C4'-P-C4' energy: -79.789
flat angles P-C4'-P energy: -61.139
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1853.610465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.610465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.610465 (E_RNA)
where:
Base-Base interactions energy: -1307.471
where: short stacking energy: -526.963
Base-Backbone interact. energy: -2.497
local terms energy: -543.642464
where:
bonds (distance) C4'-P energy: -99.246
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -108.811
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -150.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1767.361148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.361148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.361148 (E_RNA)
where:
Base-Base interactions energy: -1223.572
where: short stacking energy: -507.276
Base-Backbone interact. energy: -4.335
local terms energy: -539.454044
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -116.820
flat angles P-C4'-P energy: -85.337
tors. eta vs tors. theta energy: -143.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1714.675479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.675479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.675479 (E_RNA)
where:
Base-Base interactions energy: -1222.172
where: short stacking energy: -497.879
Base-Backbone interact. energy: -0.878
local terms energy: -491.625281
where:
bonds (distance) C4'-P energy: -87.423
bonds (distance) P-C4' energy: -94.512
flat angles C4'-P-C4' energy: -99.352
flat angles P-C4'-P energy: -68.311
tors. eta vs tors. theta energy: -142.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1652.472102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.472102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.472102 (E_RNA)
where:
Base-Base interactions energy: -1166.661
where: short stacking energy: -486.232
Base-Backbone interact. energy: -1.800
local terms energy: -484.011190
where:
bonds (distance) C4'-P energy: -78.286
bonds (distance) P-C4' energy: -92.271
flat angles C4'-P-C4' energy: -99.668
flat angles P-C4'-P energy: -77.192
tors. eta vs tors. theta energy: -136.594
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: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1569.011284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.011284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.011284 (E_RNA)
where:
Base-Base interactions energy: -1113.155
where: short stacking energy: -458.291
Base-Backbone interact. energy: -3.068
local terms energy: -452.788457
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -97.890
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -125.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1577.741037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.741037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.741037 (E_RNA)
where:
Base-Base interactions energy: -1099.872
where: short stacking energy: -443.616
Base-Backbone interact. energy: 0.484
local terms energy: -478.352463
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -90.705
flat angles C4'-P-C4' energy: -95.543
flat angles P-C4'-P energy: -73.946
tors. eta vs tors. theta energy: -126.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1373.665274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.665274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.665274 (E_RNA)
where:
Base-Base interactions energy: -944.502
where: short stacking energy: -395.052
Base-Backbone interact. energy: -1.701
local terms energy: -427.461733
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -77.655
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -61.708
tors. eta vs tors. theta energy: -101.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1287.604460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.604460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.604460 (E_RNA)
where:
Base-Base interactions energy: -863.965
where: short stacking energy: -355.656
Base-Backbone interact. energy: -3.824
local terms energy: -419.815387
where:
bonds (distance) C4'-P energy: -87.732
bonds (distance) P-C4' energy: -82.573
flat angles C4'-P-C4' energy: -93.913
flat angles P-C4'-P energy: -61.442
tors. eta vs tors. theta energy: -94.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -851.163926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.163926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.163926 (E_RNA)
where:
Base-Base interactions energy: -549.634
where: short stacking energy: -259.022
Base-Backbone interact. energy: 0.104
local terms energy: -301.633489
where:
bonds (distance) C4'-P energy: -71.464
bonds (distance) P-C4' energy: -78.158
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -36.036
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: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -810.544181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.544181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.544181 (E_RNA)
where:
Base-Base interactions energy: -495.946
where: short stacking energy: -229.776
Base-Backbone interact. energy: -0.966
local terms energy: -313.631966
where:
bonds (distance) C4'-P energy: -63.985
bonds (distance) P-C4' energy: -91.669
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -52.345
tors. eta vs tors. theta energy: -30.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1855.127576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.127576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.127576 (E_RNA)
where:
Base-Base interactions energy: -1309.694
where: short stacking energy: -543.173
Base-Backbone interact. energy: -1.911
local terms energy: -543.523292
where:
bonds (distance) C4'-P energy: -94.379
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -115.215
flat angles P-C4'-P energy: -84.305
tors. eta vs tors. theta energy: -152.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1790.411062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.411062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.411062 (E_RNA)
where:
Base-Base interactions energy: -1276.044
where: short stacking energy: -557.526
Base-Backbone interact. energy: -3.930
local terms energy: -510.437662
where:
bonds (distance) C4'-P energy: -86.387
bonds (distance) P-C4' energy: -83.623
flat angles C4'-P-C4' energy: -106.804
flat angles P-C4'-P energy: -81.277
tors. eta vs tors. theta energy: -152.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1705.438778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.438778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.438778 (E_RNA)
where:
Base-Base interactions energy: -1190.851
where: short stacking energy: -491.321
Base-Backbone interact. energy: -0.546
local terms energy: -514.041014
where:
bonds (distance) C4'-P energy: -91.380
bonds (distance) P-C4' energy: -87.869
flat angles C4'-P-C4' energy: -109.335
flat angles P-C4'-P energy: -79.281
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1694.704978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.704978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.704978 (E_RNA)
where:
Base-Base interactions energy: -1192.210
where: short stacking energy: -499.450
Base-Backbone interact. energy: -1.600
local terms energy: -500.894914
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -98.366
flat angles C4'-P-C4' energy: -99.713
flat angles P-C4'-P energy: -70.934
tors. eta vs tors. theta energy: -143.319
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: 298
Temperature: 1.100000
Total energy: -1650.763677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.763677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.763677 (E_RNA)
where:
Base-Base interactions energy: -1165.318
where: short stacking energy: -489.538
Base-Backbone interact. energy: -1.951
local terms energy: -483.494578
where:
bonds (distance) C4'-P energy: -85.348
bonds (distance) P-C4' energy: -93.855
flat angles C4'-P-C4' energy: -105.789
flat angles P-C4'-P energy: -69.708
tors. eta vs tors. theta energy: -128.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1511.171825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.171825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.171825 (E_RNA)
where:
Base-Base interactions energy: -1065.952
where: short stacking energy: -433.875
Base-Backbone interact. energy: 0.115
local terms energy: -445.334985
where:
bonds (distance) C4'-P energy: -88.044
bonds (distance) P-C4' energy: -82.758
flat angles C4'-P-C4' energy: -93.799
flat angles P-C4'-P energy: -59.933
tors. eta vs tors. theta energy: -120.801
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1414.512604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.512604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.512604 (E_RNA)
where:
Base-Base interactions energy: -969.371
where: short stacking energy: -402.998
Base-Backbone interact. energy: -4.228
local terms energy: -440.913445
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -109.782
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -110.940
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: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1247.845631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.845631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.845631 (E_RNA)
where:
Base-Base interactions energy: -852.950
where: short stacking energy: -353.327
Base-Backbone interact. energy: -3.013
local terms energy: -391.882238
where:
bonds (distance) C4'-P energy: -73.450
bonds (distance) P-C4' energy: -82.938
flat angles C4'-P-C4' energy: -93.164
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -936.135911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.135911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.135911 (E_RNA)
where:
Base-Base interactions energy: -614.908
where: short stacking energy: -256.796
Base-Backbone interact. energy: -2.643
local terms energy: -318.584770
where:
bonds (distance) C4'-P energy: -83.432
bonds (distance) P-C4' energy: -49.811
flat angles C4'-P-C4' energy: -92.810
flat angles P-C4'-P energy: -38.117
tors. eta vs tors. theta energy: -54.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -783.154485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.154485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.154485 (E_RNA)
where:
Base-Base interactions energy: -483.973
where: short stacking energy: -215.473
Base-Backbone interact. energy: 3.356
local terms energy: -302.537688
where:
bonds (distance) C4'-P energy: -74.739
bonds (distance) P-C4' energy: -88.007
flat angles C4'-P-C4' energy: -72.651
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -19.037
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1841.744088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.744088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.744088 (E_RNA)
where:
Base-Base interactions energy: -1315.130
where: short stacking energy: -544.494
Base-Backbone interact. energy: -2.036
local terms energy: -524.578274
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -88.818
flat angles C4'-P-C4' energy: -110.814
flat angles P-C4'-P energy: -77.107
tors. eta vs tors. theta energy: -150.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1747.438732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.438732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.438732 (E_RNA)
where:
Base-Base interactions energy: -1229.532
where: short stacking energy: -527.337
Base-Backbone interact. energy: -1.229
local terms energy: -516.676868
where:
bonds (distance) C4'-P energy: -92.316
bonds (distance) P-C4' energy: -97.676
flat angles C4'-P-C4' energy: -106.751
flat angles P-C4'-P energy: -72.196
tors. eta vs tors. theta energy: -147.738
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: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1730.804324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.804324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.804324 (E_RNA)
where:
Base-Base interactions energy: -1239.999
where: short stacking energy: -516.124
Base-Backbone interact. energy: -1.729
local terms energy: -489.075885
where:
bonds (distance) C4'-P energy: -82.221
bonds (distance) P-C4' energy: -81.245
flat angles C4'-P-C4' energy: -99.925
flat angles P-C4'-P energy: -77.531
tors. eta vs tors. theta energy: -148.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1706.258130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.258130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.258130 (E_RNA)
where:
Base-Base interactions energy: -1199.454
where: short stacking energy: -491.447
Base-Backbone interact. energy: -1.119
local terms energy: -505.685615
where:
bonds (distance) C4'-P energy: -82.340
bonds (distance) P-C4' energy: -105.253
flat angles C4'-P-C4' energy: -103.623
flat angles P-C4'-P energy: -65.718
tors. eta vs tors. theta energy: -148.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1629.538578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.538578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.538578 (E_RNA)
where:
Base-Base interactions energy: -1150.135
where: short stacking energy: -478.944
Base-Backbone interact. energy: 0.302
local terms energy: -479.705957
where:
bonds (distance) C4'-P energy: -78.682
bonds (distance) P-C4' energy: -90.314
flat angles C4'-P-C4' energy: -106.255
flat angles P-C4'-P energy: -62.553
tors. eta vs tors. theta energy: -141.902
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: 299
Temperature: 1.150000
Total energy: -1511.247640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.247640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.247640 (E_RNA)
where:
Base-Base interactions energy: -1047.735
where: short stacking energy: -426.841
Base-Backbone interact. energy: -3.121
local terms energy: -460.392023
where:
bonds (distance) C4'-P energy: -92.188
bonds (distance) P-C4' energy: -69.844
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -80.227
tors. eta vs tors. theta energy: -114.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1430.911240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.911240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.911240 (E_RNA)
where:
Base-Base interactions energy: -983.990
where: short stacking energy: -434.043
Base-Backbone interact. energy: -1.036
local terms energy: -445.885164
where:
bonds (distance) C4'-P energy: -84.793
bonds (distance) P-C4' energy: -87.876
flat angles C4'-P-C4' energy: -95.152
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -121.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1239.686179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.686179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.686179 (E_RNA)
where:
Base-Base interactions energy: -872.094
where: short stacking energy: -344.179
Base-Backbone interact. energy: 0.156
local terms energy: -367.747635
where:
bonds (distance) C4'-P energy: -89.978
bonds (distance) P-C4' energy: -69.934
flat angles C4'-P-C4' energy: -85.672
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -77.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -916.681641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.681641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.681641 (E_RNA)
where:
Base-Base interactions energy: -553.820
where: short stacking energy: -257.943
Base-Backbone interact. energy: -2.069
local terms energy: -360.792860
where:
bonds (distance) C4'-P energy: -78.637
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -60.112
tors. eta vs tors. theta energy: -61.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -776.160027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.160027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.160027 (E_RNA)
where:
Base-Base interactions energy: -477.328
where: short stacking energy: -224.024
Base-Backbone interact. energy: 0.918
local terms energy: -299.750256
where:
bonds (distance) C4'-P energy: -78.680
bonds (distance) P-C4' energy: -82.814
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -48.845
tors. eta vs tors. theta energy: -27.833
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: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1858.012306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.012306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.012306 (E_RNA)
where:
Base-Base interactions energy: -1333.115
where: short stacking energy: -540.802
Base-Backbone interact. energy: -2.681
local terms energy: -522.215681
where:
bonds (distance) C4'-P energy: -87.845
bonds (distance) P-C4' energy: -97.200
flat angles C4'-P-C4' energy: -111.774
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -153.161
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: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1762.742134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.742134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.742134 (E_RNA)
where:
Base-Base interactions energy: -1239.953
where: short stacking energy: -513.407
Base-Backbone interact. energy: -2.064
local terms energy: -520.725103
where:
bonds (distance) C4'-P energy: -96.791
bonds (distance) P-C4' energy: -90.630
flat angles C4'-P-C4' energy: -109.594
flat angles P-C4'-P energy: -76.905
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: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1742.419756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.419756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.419756 (E_RNA)
where:
Base-Base interactions energy: -1215.024
where: short stacking energy: -505.602
Base-Backbone interact. energy: 0.536
local terms energy: -527.932175
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -102.776
flat angles C4'-P-C4' energy: -119.038
flat angles P-C4'-P energy: -69.363
tors. eta vs tors. theta energy: -141.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1694.967100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.967100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.967100 (E_RNA)
where:
Base-Base interactions energy: -1179.778
where: short stacking energy: -479.476
Base-Backbone interact. energy: -0.987
local terms energy: -514.201987
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -87.619
flat angles C4'-P-C4' energy: -115.421
flat angles P-C4'-P energy: -73.389
tors. eta vs tors. theta energy: -134.830
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1630.506010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.506010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.506010 (E_RNA)
where:
Base-Base interactions energy: -1145.734
where: short stacking energy: -480.623
Base-Backbone interact. energy: -0.694
local terms energy: -484.078185
where:
bonds (distance) C4'-P energy: -86.370
bonds (distance) P-C4' energy: -78.397
flat angles C4'-P-C4' energy: -96.343
flat angles P-C4'-P energy: -84.531
tors. eta vs tors. theta energy: -138.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1486.268748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.268748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.268748 (E_RNA)
where:
Base-Base interactions energy: -1047.840
where: short stacking energy: -427.247
Base-Backbone interact. energy: -2.508
local terms energy: -435.920926
where:
bonds (distance) C4'-P energy: -78.876
bonds (distance) P-C4' energy: -85.766
flat angles C4'-P-C4' energy: -100.057
flat angles P-C4'-P energy: -55.834
tors. eta vs tors. theta energy: -115.387
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: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1396.593942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.593942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.593942 (E_RNA)
where:
Base-Base interactions energy: -982.102
where: short stacking energy: -397.612
Base-Backbone interact. energy: -3.180
local terms energy: -411.311538
where:
bonds (distance) C4'-P energy: -78.938
bonds (distance) P-C4' energy: -89.576
flat angles C4'-P-C4' energy: -90.623
flat angles P-C4'-P energy: -55.520
tors. eta vs tors. theta energy: -96.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1198.229608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.229608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.229608 (E_RNA)
where:
Base-Base interactions energy: -825.131
where: short stacking energy: -358.789
Base-Backbone interact. energy: 5.008
local terms energy: -378.106315
where:
bonds (distance) C4'-P energy: -81.870
bonds (distance) P-C4' energy: -86.571
flat angles C4'-P-C4' energy: -70.638
flat angles P-C4'-P energy: -50.801
tors. eta vs tors. theta energy: -88.226
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: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -908.352608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.352608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.352608 (E_RNA)
where:
Base-Base interactions energy: -557.141
where: short stacking energy: -262.272
Base-Backbone interact. energy: -1.983
local terms energy: -349.228077
where:
bonds (distance) C4'-P energy: -69.312
bonds (distance) P-C4' energy: -81.433
flat angles C4'-P-C4' energy: -99.671
flat angles P-C4'-P energy: -46.913
tors. eta vs tors. theta energy: -51.900
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: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -753.719573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.719573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.719573 (E_RNA)
where:
Base-Base interactions energy: -446.519
where: short stacking energy: -201.370
Base-Backbone interact. energy: -0.582
local terms energy: -306.618477
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -63.579
flat angles C4'-P-C4' energy: -80.820
flat angles P-C4'-P energy: -50.834
tors. eta vs tors. theta energy: -21.766
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1865.769822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.769822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.769822 (E_RNA)
where:
Base-Base interactions energy: -1338.894
where: short stacking energy: -533.965
Base-Backbone interact. energy: 4.777
local terms energy: -531.652082
where:
bonds (distance) C4'-P energy: -91.026
bonds (distance) P-C4' energy: -99.499
flat angles C4'-P-C4' energy: -110.064
flat angles P-C4'-P energy: -77.052
tors. eta vs tors. theta energy: -154.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1777.397767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.397767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.397767 (E_RNA)
where:
Base-Base interactions energy: -1250.172
where: short stacking energy: -509.107
Base-Backbone interact. energy: -1.733
local terms energy: -525.492417
where:
bonds (distance) C4'-P energy: -92.054
bonds (distance) P-C4' energy: -100.051
flat angles C4'-P-C4' energy: -102.743
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -155.509
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: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1746.731652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.731652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.731652 (E_RNA)
where:
Base-Base interactions energy: -1236.341
where: short stacking energy: -507.060
Base-Backbone interact. energy: -1.512
local terms energy: -508.878800
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -89.753
flat angles C4'-P-C4' energy: -113.501
flat angles P-C4'-P energy: -71.626
tors. eta vs tors. theta energy: -148.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1689.587152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.587152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.587152 (E_RNA)
where:
Base-Base interactions energy: -1193.206
where: short stacking energy: -497.640
Base-Backbone interact. energy: -1.766
local terms energy: -494.614849
where:
bonds (distance) C4'-P energy: -64.859
bonds (distance) P-C4' energy: -103.561
flat angles C4'-P-C4' energy: -106.533
flat angles P-C4'-P energy: -73.256
tors. eta vs tors. theta energy: -146.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1651.584495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.584495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.584495 (E_RNA)
where:
Base-Base interactions energy: -1154.244
where: short stacking energy: -501.333
Base-Backbone interact. energy: -1.772
local terms energy: -495.568460
where:
bonds (distance) C4'-P energy: -80.380
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -116.267
flat angles P-C4'-P energy: -65.800
tors. eta vs tors. theta energy: -144.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1481.083289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.083289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.083289 (E_RNA)
where:
Base-Base interactions energy: -1041.152
where: short stacking energy: -414.723
Base-Backbone interact. energy: 0.104
local terms energy: -440.035814
where:
bonds (distance) C4'-P energy: -79.800
bonds (distance) P-C4' energy: -78.486
flat angles C4'-P-C4' energy: -96.416
flat angles P-C4'-P energy: -69.037
tors. eta vs tors. theta energy: -116.296
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: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1366.131665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.131665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.131665 (E_RNA)
where:
Base-Base interactions energy: -940.164
where: short stacking energy: -394.614
Base-Backbone interact. energy: -4.010
local terms energy: -421.957570
where:
bonds (distance) C4'-P energy: -72.613
bonds (distance) P-C4' energy: -75.339
flat angles C4'-P-C4' energy: -104.313
flat angles P-C4'-P energy: -67.407
tors. eta vs tors. theta energy: -102.284
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: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1239.850413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.850413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.850413 (E_RNA)
where:
Base-Base interactions energy: -826.237
where: short stacking energy: -364.086
Base-Backbone interact. energy: -0.825
local terms energy: -412.788632
where:
bonds (distance) C4'-P energy: -96.541
bonds (distance) P-C4' energy: -78.707
flat angles C4'-P-C4' energy: -89.409
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -103.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -929.622521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.622521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.622521 (E_RNA)
where:
Base-Base interactions energy: -585.016
where: short stacking energy: -266.781
Base-Backbone interact. energy: -0.290
local terms energy: -344.316024
where:
bonds (distance) C4'-P energy: -77.472
bonds (distance) P-C4' energy: -74.028
flat angles C4'-P-C4' energy: -77.731
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -57.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -805.221512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.221512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.221512 (E_RNA)
where:
Base-Base interactions energy: -470.420
where: short stacking energy: -234.169
Base-Backbone interact. energy: -4.330
local terms energy: -330.471546
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -54.839
tors. eta vs tors. theta energy: -19.876
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: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1821.410632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.410632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.410632 (E_RNA)
where:
Base-Base interactions energy: -1291.323
where: short stacking energy: -549.759
Base-Backbone interact. energy: 2.718
local terms energy: -532.804909
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -96.753
flat angles C4'-P-C4' energy: -115.163
flat angles P-C4'-P energy: -83.880
tors. eta vs tors. theta energy: -153.214
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1806.224473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.224473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.224473 (E_RNA)
where:
Base-Base interactions energy: -1287.104
where: short stacking energy: -528.776
Base-Backbone interact. energy: -2.473
local terms energy: -516.647220
where:
bonds (distance) C4'-P energy: -89.974
bonds (distance) P-C4' energy: -88.150
flat angles C4'-P-C4' energy: -117.912
flat angles P-C4'-P energy: -78.050
tors. eta vs tors. theta energy: -142.562
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: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1767.698626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.698626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.698626 (E_RNA)
where:
Base-Base interactions energy: -1236.606
where: short stacking energy: -534.566
Base-Backbone interact. energy: -0.748
local terms energy: -530.344353
where:
bonds (distance) C4'-P energy: -91.390
bonds (distance) P-C4' energy: -100.407
flat angles C4'-P-C4' energy: -109.651
flat angles P-C4'-P energy: -75.122
tors. eta vs tors. theta energy: -153.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1645.149444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.149444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.149444 (E_RNA)
where:
Base-Base interactions energy: -1145.293
where: short stacking energy: -473.269
Base-Backbone interact. energy: -1.115
local terms energy: -498.741171
where:
bonds (distance) C4'-P energy: -91.285
bonds (distance) P-C4' energy: -99.641
flat angles C4'-P-C4' energy: -99.105
flat angles P-C4'-P energy: -78.502
tors. eta vs tors. theta energy: -130.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1665.017310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.017310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.017310 (E_RNA)
where:
Base-Base interactions energy: -1194.112
where: short stacking energy: -486.220
Base-Backbone interact. energy: -2.517
local terms energy: -468.388401
where:
bonds (distance) C4'-P energy: -71.234
bonds (distance) P-C4' energy: -86.212
flat angles C4'-P-C4' energy: -92.990
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -147.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1531.145919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.145919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.145919 (E_RNA)
where:
Base-Base interactions energy: -1062.260
where: short stacking energy: -439.242
Base-Backbone interact. energy: -0.725
local terms energy: -468.161275
where:
bonds (distance) C4'-P energy: -75.284
bonds (distance) P-C4' energy: -90.312
flat angles C4'-P-C4' energy: -106.092
flat angles P-C4'-P energy: -71.625
tors. eta vs tors. theta energy: -124.848
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: 302
Temperature: 1.200000
Total energy: -1273.376225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.376225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.376225 (E_RNA)
where:
Base-Base interactions energy: -849.586
where: short stacking energy: -385.245
Base-Backbone interact. energy: 1.388
local terms energy: -425.177998
where:
bonds (distance) C4'-P energy: -83.193
bonds (distance) P-C4' energy: -70.463
flat angles C4'-P-C4' energy: -98.593
flat angles P-C4'-P energy: -72.583
tors. eta vs tors. theta energy: -100.346
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: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1298.975725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.975725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.975725 (E_RNA)
where:
Base-Base interactions energy: -890.996
where: short stacking energy: -366.759
Base-Backbone interact. energy: 2.273
local terms energy: -410.253295
where:
bonds (distance) C4'-P energy: -81.353
bonds (distance) P-C4' energy: -72.466
flat angles C4'-P-C4' energy: -96.302
flat angles P-C4'-P energy: -64.279
tors. eta vs tors. theta energy: -95.853
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: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -948.139166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.139166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.139166 (E_RNA)
where:
Base-Base interactions energy: -601.404
where: short stacking energy: -280.107
Base-Backbone interact. energy: 0.242
local terms energy: -346.977645
where:
bonds (distance) C4'-P energy: -68.297
bonds (distance) P-C4' energy: -89.407
flat angles C4'-P-C4' energy: -96.814
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -49.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -787.433361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.433361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.433361 (E_RNA)
where:
Base-Base interactions energy: -474.616
where: short stacking energy: -234.498
Base-Backbone interact. energy: 0.293
local terms energy: -313.110277
where:
bonds (distance) C4'-P energy: -91.935
bonds (distance) P-C4' energy: -70.213
flat angles C4'-P-C4' energy: -77.614
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1828.621351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.621351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.621351 (E_RNA)
where:
Base-Base interactions energy: -1280.403
where: short stacking energy: -535.647
Base-Backbone interact. energy: -2.054
local terms energy: -546.163991
where:
bonds (distance) C4'-P energy: -92.633
bonds (distance) P-C4' energy: -106.430
flat angles C4'-P-C4' energy: -115.362
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -158.071
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: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1793.380758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.380758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.380758 (E_RNA)
where:
Base-Base interactions energy: -1280.880
where: short stacking energy: -503.029
Base-Backbone interact. energy: -0.695
local terms energy: -511.805954
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -75.128
flat angles C4'-P-C4' energy: -114.281
flat angles P-C4'-P energy: -75.443
tors. eta vs tors. theta energy: -143.075
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: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1772.894318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.894318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.894318 (E_RNA)
where:
Base-Base interactions energy: -1252.829
where: short stacking energy: -528.614
Base-Backbone interact. energy: 0.273
local terms energy: -520.337959
where:
bonds (distance) C4'-P energy: -90.057
bonds (distance) P-C4' energy: -89.123
flat angles C4'-P-C4' energy: -108.321
flat angles P-C4'-P energy: -78.278
tors. eta vs tors. theta energy: -154.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1648.537038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.537038 (E_RNA)
where:
Base-Base interactions energy: -1154.530
where: short stacking energy: -479.088
Base-Backbone interact. energy: -1.856
local terms energy: -492.151312
where:
bonds (distance) C4'-P energy: -97.471
bonds (distance) P-C4' energy: -95.522
flat angles C4'-P-C4' energy: -100.419
flat angles P-C4'-P energy: -62.406
tors. eta vs tors. theta energy: -136.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1634.325984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.325984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.325984 (E_RNA)
where:
Base-Base interactions energy: -1165.993
where: short stacking energy: -485.437
Base-Backbone interact. energy: 1.064
local terms energy: -469.397156
where:
bonds (distance) C4'-P energy: -77.482
bonds (distance) P-C4' energy: -82.722
flat angles C4'-P-C4' energy: -90.314
flat angles P-C4'-P energy: -72.181
tors. eta vs tors. theta energy: -146.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1517.854779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.854779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.854779 (E_RNA)
where:
Base-Base interactions energy: -1069.262
where: short stacking energy: -441.994
Base-Backbone interact. energy: -1.584
local terms energy: -447.008914
where:
bonds (distance) C4'-P energy: -83.765
bonds (distance) P-C4' energy: -89.398
flat angles C4'-P-C4' energy: -96.526
flat angles P-C4'-P energy: -63.428
tors. eta vs tors. theta energy: -113.891
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: 303
Temperature: 1.200000
Total energy: -1312.189937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.189937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.189937 (E_RNA)
where:
Base-Base interactions energy: -918.378
where: short stacking energy: -373.117
Base-Backbone interact. energy: -0.493
local terms energy: -393.318831
where:
bonds (distance) C4'-P energy: -69.138
bonds (distance) P-C4' energy: -74.231
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -108.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1234.761798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.761798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.761798 (E_RNA)
where:
Base-Base interactions energy: -828.368
where: short stacking energy: -334.867
Base-Backbone interact. energy: 0.287
local terms energy: -406.680530
where:
bonds (distance) C4'-P energy: -91.603
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -83.819
flat angles P-C4'-P energy: -48.718
tors. eta vs tors. theta energy: -88.103
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -934.508620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.508620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.508620 (E_RNA)
where:
Base-Base interactions energy: -622.416
where: short stacking energy: -269.839
Base-Backbone interact. energy: -2.347
local terms energy: -309.746228
where:
bonds (distance) C4'-P energy: -76.000
bonds (distance) P-C4' energy: -83.883
flat angles C4'-P-C4' energy: -72.714
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -43.527
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: 303
Temperature: 1.350000
Total energy: -795.130438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.130438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.130438 (E_RNA)
where:
Base-Base interactions energy: -489.404
where: short stacking energy: -221.481
Base-Backbone interact. energy: -2.504
local terms energy: -303.221665
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -82.434
flat angles C4'-P-C4' energy: -80.067
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -41.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1850.517783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.517783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.517783 (E_RNA)
where:
Base-Base interactions energy: -1305.462
where: short stacking energy: -542.749
Base-Backbone interact. energy: 0.861
local terms energy: -545.916534
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -103.051
flat angles C4'-P-C4' energy: -111.070
flat angles P-C4'-P energy: -81.581
tors. eta vs tors. theta energy: -150.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1807.203727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.203727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.203727 (E_RNA)
where:
Base-Base interactions energy: -1272.292
where: short stacking energy: -508.726
Base-Backbone interact. energy: -1.679
local terms energy: -533.233174
where:
bonds (distance) C4'-P energy: -94.050
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -112.819
flat angles P-C4'-P energy: -85.271
tors. eta vs tors. theta energy: -141.464
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1776.947698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.947698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.947698 (E_RNA)
where:
Base-Base interactions energy: -1248.382
where: short stacking energy: -515.824
Base-Backbone interact. energy: -0.207
local terms energy: -528.358627
where:
bonds (distance) C4'-P energy: -92.331
bonds (distance) P-C4' energy: -100.453
flat angles C4'-P-C4' energy: -108.292
flat angles P-C4'-P energy: -76.335
tors. eta vs tors. theta energy: -150.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1675.601039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.601039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.601039 (E_RNA)
where:
Base-Base interactions energy: -1174.089
where: short stacking energy: -487.343
Base-Backbone interact. energy: -1.164
local terms energy: -500.348666
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -93.738
flat angles C4'-P-C4' energy: -96.762
flat angles P-C4'-P energy: -81.246
tors. eta vs tors. theta energy: -142.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1651.556567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.556567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.556567 (E_RNA)
where:
Base-Base interactions energy: -1157.887
where: short stacking energy: -476.730
Base-Backbone interact. energy: 0.089
local terms energy: -493.758853
where:
bonds (distance) C4'-P energy: -76.851
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -80.379
tors. eta vs tors. theta energy: -143.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1527.402372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.402372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.402372 (E_RNA)
where:
Base-Base interactions energy: -1071.078
where: short stacking energy: -432.952
Base-Backbone interact. energy: 0.102
local terms energy: -456.426371
where:
bonds (distance) C4'-P energy: -80.848
bonds (distance) P-C4' energy: -82.717
flat angles C4'-P-C4' energy: -104.848
flat angles P-C4'-P energy: -63.606
tors. eta vs tors. theta energy: -124.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1373.517023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.517023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.517023 (E_RNA)
where:
Base-Base interactions energy: -955.182
where: short stacking energy: -399.891
Base-Backbone interact. energy: -1.998
local terms energy: -416.337691
where:
bonds (distance) C4'-P energy: -76.149
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -94.535
flat angles P-C4'-P energy: -52.515
tors. eta vs tors. theta energy: -107.374
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: 304
Temperature: 1.250000
Total energy: -1228.383968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.383968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.383968 (E_RNA)
where:
Base-Base interactions energy: -858.721
where: short stacking energy: -361.162
Base-Backbone interact. energy: -0.674
local terms energy: -368.989170
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -75.576
flat angles C4'-P-C4' energy: -80.648
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -95.436
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: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -925.773749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.773749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.773749 (E_RNA)
where:
Base-Base interactions energy: -594.907
where: short stacking energy: -278.912
Base-Backbone interact. energy: -0.201
local terms energy: -330.665921
where:
bonds (distance) C4'-P energy: -70.573
bonds (distance) P-C4' energy: -77.351
flat angles C4'-P-C4' energy: -79.904
flat angles P-C4'-P energy: -56.021
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -759.652533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.652533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.652533 (E_RNA)
where:
Base-Base interactions energy: -459.927
where: short stacking energy: -222.142
Base-Backbone interact. energy: -1.386
local terms energy: -298.339355
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -78.464
flat angles C4'-P-C4' energy: -82.988
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -34.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1840.637796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.637796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.637796 (E_RNA)
where:
Base-Base interactions energy: -1295.017
where: short stacking energy: -531.288
Base-Backbone interact. energy: -4.271
local terms energy: -541.349143
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -105.262
flat angles C4'-P-C4' energy: -111.726
flat angles P-C4'-P energy: -73.592
tors. eta vs tors. theta energy: -158.289
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1818.248833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.248833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.248833 (E_RNA)
where:
Base-Base interactions energy: -1273.931
where: short stacking energy: -524.508
Base-Backbone interact. energy: -2.094
local terms energy: -542.224005
where:
bonds (distance) C4'-P energy: -106.575
bonds (distance) P-C4' energy: -92.764
flat angles C4'-P-C4' energy: -111.018
flat angles P-C4'-P energy: -81.582
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: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1759.665899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.665899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.665899 (E_RNA)
where:
Base-Base interactions energy: -1246.395
where: short stacking energy: -526.997
Base-Backbone interact. energy: -2.305
local terms energy: -510.965820
where:
bonds (distance) C4'-P energy: -88.753
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -106.395
flat angles P-C4'-P energy: -74.158
tors. eta vs tors. theta energy: -148.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1697.073342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.073342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.073342 (E_RNA)
where:
Base-Base interactions energy: -1182.263
where: short stacking energy: -497.080
Base-Backbone interact. energy: 0.491
local terms energy: -515.301610
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -113.075
flat angles P-C4'-P energy: -74.014
tors. eta vs tors. theta energy: -141.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1624.104653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.104653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.104653 (E_RNA)
where:
Base-Base interactions energy: -1149.657
where: short stacking energy: -457.494
Base-Backbone interact. energy: 0.424
local terms energy: -474.871161
where:
bonds (distance) C4'-P energy: -85.423
bonds (distance) P-C4' energy: -82.255
flat angles C4'-P-C4' energy: -109.010
flat angles P-C4'-P energy: -64.573
tors. eta vs tors. theta energy: -133.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1532.170919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.170919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.170919 (E_RNA)
where:
Base-Base interactions energy: -1063.033
where: short stacking energy: -435.392
Base-Backbone interact. energy: -1.742
local terms energy: -467.396294
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -89.450
flat angles C4'-P-C4' energy: -103.503
flat angles P-C4'-P energy: -63.762
tors. eta vs tors. theta energy: -127.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1335.061624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.061624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.061624 (E_RNA)
where:
Base-Base interactions energy: -934.591
where: short stacking energy: -375.426
Base-Backbone interact. energy: 0.073
local terms energy: -400.543197
where:
bonds (distance) C4'-P energy: -78.783
bonds (distance) P-C4' energy: -81.345
flat angles C4'-P-C4' energy: -84.665
flat angles P-C4'-P energy: -59.918
tors. eta vs tors. theta energy: -95.831
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: 305
Temperature: 1.250000
Total energy: -1256.404139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.404139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.404139 (E_RNA)
where:
Base-Base interactions energy: -870.326
where: short stacking energy: -338.910
Base-Backbone interact. energy: -0.289
local terms energy: -385.788614
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -77.737
flat angles C4'-P-C4' energy: -94.498
flat angles P-C4'-P energy: -53.323
tors. eta vs tors. theta energy: -83.688
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: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -980.402944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.402944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.402944 (E_RNA)
where:
Base-Base interactions energy: -623.246
where: short stacking energy: -290.084
Base-Backbone interact. energy: 6.523
local terms energy: -363.680680
where:
bonds (distance) C4'-P energy: -91.261
bonds (distance) P-C4' energy: -91.427
flat angles C4'-P-C4' energy: -76.899
flat angles P-C4'-P energy: -45.969
tors. eta vs tors. theta energy: -58.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -840.715794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.715794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.715794 (E_RNA)
where:
Base-Base interactions energy: -502.916
where: short stacking energy: -245.330
Base-Backbone interact. energy: -1.376
local terms energy: -336.424525
where:
bonds (distance) C4'-P energy: -76.764
bonds (distance) P-C4' energy: -84.795
flat angles C4'-P-C4' energy: -77.408
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1836.842262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.842262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.842262 (E_RNA)
where:
Base-Base interactions energy: -1281.920
where: short stacking energy: -548.017
Base-Backbone interact. energy: -3.000
local terms energy: -551.921867
where:
bonds (distance) C4'-P energy: -99.085
bonds (distance) P-C4' energy: -106.055
flat angles C4'-P-C4' energy: -107.088
flat angles P-C4'-P energy: -80.407
tors. eta vs tors. theta energy: -159.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1808.480540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.480540 (E_RNA)
where:
Base-Base interactions energy: -1281.130
where: short stacking energy: -512.072
Base-Backbone interact. energy: -4.059
local terms energy: -523.291026
where:
bonds (distance) C4'-P energy: -103.073
bonds (distance) P-C4' energy: -87.736
flat angles C4'-P-C4' energy: -103.960
flat angles P-C4'-P energy: -82.462
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: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1742.834093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.834093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.834093 (E_RNA)
where:
Base-Base interactions energy: -1225.316
where: short stacking energy: -512.188
Base-Backbone interact. energy: -2.891
local terms energy: -514.627103
where:
bonds (distance) C4'-P energy: -94.041
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -113.558
flat angles P-C4'-P energy: -72.731
tors. eta vs tors. theta energy: -144.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1695.481672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.481672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.481672 (E_RNA)
where:
Base-Base interactions energy: -1175.887
where: short stacking energy: -493.347
Base-Backbone interact. energy: -3.056
local terms energy: -516.538698
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -100.930
flat angles C4'-P-C4' energy: -99.682
flat angles P-C4'-P energy: -76.359
tors. eta vs tors. theta energy: -149.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1619.694058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.694058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.694058 (E_RNA)
where:
Base-Base interactions energy: -1141.768
where: short stacking energy: -475.997
Base-Backbone interact. energy: -0.956
local terms energy: -476.969846
where:
bonds (distance) C4'-P energy: -82.474
bonds (distance) P-C4' energy: -85.633
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -125.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1557.936469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.936469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.936469 (E_RNA)
where:
Base-Base interactions energy: -1074.431
where: short stacking energy: -461.612
Base-Backbone interact. energy: -0.148
local terms energy: -483.356719
where:
bonds (distance) C4'-P energy: -90.006
bonds (distance) P-C4' energy: -93.523
flat angles C4'-P-C4' energy: -105.117
flat angles P-C4'-P energy: -62.130
tors. eta vs tors. theta energy: -132.581
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: 306
Temperature: 1.200000
Total energy: -1319.427923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.427923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.427923 (E_RNA)
where:
Base-Base interactions energy: -881.233
where: short stacking energy: -371.814
Base-Backbone interact. energy: -4.025
local terms energy: -434.169471
where:
bonds (distance) C4'-P energy: -78.124
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -89.896
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -102.907
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: 306
Temperature: 1.250000
Total energy: -1236.037629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.037629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.037629 (E_RNA)
where:
Base-Base interactions energy: -823.372
where: short stacking energy: -337.635
Base-Backbone interact. energy: -3.470
local terms energy: -409.196237
where:
bonds (distance) C4'-P energy: -80.775
bonds (distance) P-C4' energy: -82.741
flat angles C4'-P-C4' energy: -95.746
flat angles P-C4'-P energy: -63.992
tors. eta vs tors. theta energy: -85.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -878.116786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.116786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.116786 (E_RNA)
where:
Base-Base interactions energy: -523.275
where: short stacking energy: -252.503
Base-Backbone interact. energy: 2.238
local terms energy: -357.079569
where:
bonds (distance) C4'-P energy: -92.696
bonds (distance) P-C4' energy: -79.682
flat angles C4'-P-C4' energy: -87.258
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -51.801
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: 306
Temperature: 1.350000
Total energy: -777.787233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.787233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.787233 (E_RNA)
where:
Base-Base interactions energy: -465.984
where: short stacking energy: -196.174
Base-Backbone interact. energy: -0.590
local terms energy: -311.213158
where:
bonds (distance) C4'-P energy: -75.025
bonds (distance) P-C4' energy: -84.724
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -24.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1831.129853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.129853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.129853 (E_RNA)
where:
Base-Base interactions energy: -1280.205
where: short stacking energy: -508.245
Base-Backbone interact. energy: -1.449
local terms energy: -549.476081
where:
bonds (distance) C4'-P energy: -95.849
bonds (distance) P-C4' energy: -105.502
flat angles C4'-P-C4' energy: -112.402
flat angles P-C4'-P energy: -78.290
tors. eta vs tors. theta energy: -157.433
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: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1811.072546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.072546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.072546 (E_RNA)
where:
Base-Base interactions energy: -1290.486
where: short stacking energy: -516.100
Base-Backbone interact. energy: -1.331
local terms energy: -519.256349
where:
bonds (distance) C4'-P energy: -84.748
bonds (distance) P-C4' energy: -95.310
flat angles C4'-P-C4' energy: -113.642
flat angles P-C4'-P energy: -79.927
tors. eta vs tors. theta energy: -145.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1731.195787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.195787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.195787 (E_RNA)
where:
Base-Base interactions energy: -1224.687
where: short stacking energy: -511.298
Base-Backbone interact. energy: -3.120
local terms energy: -503.387982
where:
bonds (distance) C4'-P energy: -90.090
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -100.392
flat angles P-C4'-P energy: -73.332
tors. eta vs tors. theta energy: -147.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1695.361397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.361397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.361397 (E_RNA)
where:
Base-Base interactions energy: -1189.596
where: short stacking energy: -491.727
Base-Backbone interact. energy: -0.515
local terms energy: -505.250759
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -104.515
flat angles P-C4'-P energy: -70.232
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: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1620.429322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.429322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.429322 (E_RNA)
where:
Base-Base interactions energy: -1170.133
where: short stacking energy: -480.062
Base-Backbone interact. energy: 0.806
local terms energy: -451.101770
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -93.068
flat angles C4'-P-C4' energy: -83.973
flat angles P-C4'-P energy: -68.923
tors. eta vs tors. theta energy: -128.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1511.017443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.017443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.017443 (E_RNA)
where:
Base-Base interactions energy: -1050.771
where: short stacking energy: -436.705
Base-Backbone interact. energy: -1.149
local terms energy: -459.097820
where:
bonds (distance) C4'-P energy: -96.149
bonds (distance) P-C4' energy: -80.410
flat angles C4'-P-C4' energy: -100.229
flat angles P-C4'-P energy: -65.426
tors. eta vs tors. theta energy: -116.883
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: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1358.518327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.518327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.518327 (E_RNA)
where:
Base-Base interactions energy: -935.865
where: short stacking energy: -387.835
Base-Backbone interact. energy: -1.589
local terms energy: -421.064733
where:
bonds (distance) C4'-P energy: -71.957
bonds (distance) P-C4' energy: -99.491
flat angles C4'-P-C4' energy: -92.485
flat angles P-C4'-P energy: -64.389
tors. eta vs tors. theta energy: -92.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1262.336194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.336194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.336194 (E_RNA)
where:
Base-Base interactions energy: -860.216
where: short stacking energy: -343.643
Base-Backbone interact. energy: -3.054
local terms energy: -399.066408
where:
bonds (distance) C4'-P energy: -74.083
bonds (distance) P-C4' energy: -90.554
flat angles C4'-P-C4' energy: -90.348
flat angles P-C4'-P energy: -48.854
tors. eta vs tors. theta energy: -95.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -908.012818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.012818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.012818 (E_RNA)
where:
Base-Base interactions energy: -585.421
where: short stacking energy: -263.177
Base-Backbone interact. energy: 0.123
local terms energy: -322.714440
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -91.866
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -43.728
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: 307
Temperature: 1.350000
Total energy: -735.597778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.597778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.597778 (E_RNA)
where:
Base-Base interactions energy: -432.812
where: short stacking energy: -213.182
Base-Backbone interact. energy: -0.359
local terms energy: -302.426621
where:
bonds (distance) C4'-P energy: -87.039
bonds (distance) P-C4' energy: -81.223
flat angles C4'-P-C4' energy: -78.418
flat angles P-C4'-P energy: -40.899
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1841.030886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.030886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.030886 (E_RNA)
where:
Base-Base interactions energy: -1286.806
where: short stacking energy: -535.204
Base-Backbone interact. energy: -1.460
local terms energy: -552.764957
where:
bonds (distance) C4'-P energy: -100.305
bonds (distance) P-C4' energy: -101.377
flat angles C4'-P-C4' energy: -109.806
flat angles P-C4'-P energy: -86.962
tors. eta vs tors. theta energy: -154.315
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: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1783.643798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.643798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.643798 (E_RNA)
where:
Base-Base interactions energy: -1244.945
where: short stacking energy: -516.663
Base-Backbone interact. energy: -1.811
local terms energy: -536.888321
where:
bonds (distance) C4'-P energy: -97.392
bonds (distance) P-C4' energy: -100.638
flat angles C4'-P-C4' energy: -110.971
flat angles P-C4'-P energy: -79.684
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: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1733.413056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.413056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.413056 (E_RNA)
where:
Base-Base interactions energy: -1209.363
where: short stacking energy: -508.303
Base-Backbone interact. energy: -1.004
local terms energy: -523.045488
where:
bonds (distance) C4'-P energy: -99.520
bonds (distance) P-C4' energy: -91.533
flat angles C4'-P-C4' energy: -112.534
flat angles P-C4'-P energy: -70.936
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: 308
Temperature: 1.050000
Total energy: -1714.818266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.818266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.818266 (E_RNA)
where:
Base-Base interactions energy: -1216.416
where: short stacking energy: -529.013
Base-Backbone interact. energy: -3.067
local terms energy: -495.335584
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -104.965
flat angles P-C4'-P energy: -75.044
tors. eta vs tors. theta energy: -139.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1663.692411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.692411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.692411 (E_RNA)
where:
Base-Base interactions energy: -1173.441
where: short stacking energy: -473.413
Base-Backbone interact. energy: 2.229
local terms energy: -492.479634
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -96.440
flat angles C4'-P-C4' energy: -107.845
flat angles P-C4'-P energy: -73.196
tors. eta vs tors. theta energy: -128.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1516.601889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.601889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.601889 (E_RNA)
where:
Base-Base interactions energy: -1060.937
where: short stacking energy: -472.312
Base-Backbone interact. energy: -2.413
local terms energy: -453.251720
where:
bonds (distance) C4'-P energy: -84.036
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -103.386
flat angles P-C4'-P energy: -63.719
tors. eta vs tors. theta energy: -122.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1314.205379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.205379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.205379 (E_RNA)
where:
Base-Base interactions energy: -904.563
where: short stacking energy: -378.187
Base-Backbone interact. energy: -1.145
local terms energy: -408.496554
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -85.063
flat angles C4'-P-C4' energy: -81.049
flat angles P-C4'-P energy: -63.152
tors. eta vs tors. theta energy: -94.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1281.929183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.929183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.929183 (E_RNA)
where:
Base-Base interactions energy: -908.710
where: short stacking energy: -393.988
Base-Backbone interact. energy: -4.340
local terms energy: -368.879287
where:
bonds (distance) C4'-P energy: -70.056
bonds (distance) P-C4' energy: -70.031
flat angles C4'-P-C4' energy: -87.520
flat angles P-C4'-P energy: -57.788
tors. eta vs tors. theta energy: -83.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -939.964934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.964934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.964934 (E_RNA)
where:
Base-Base interactions energy: -571.690
where: short stacking energy: -286.339
Base-Backbone interact. energy: 5.885
local terms energy: -374.159817
where:
bonds (distance) C4'-P energy: -88.449
bonds (distance) P-C4' energy: -80.118
flat angles C4'-P-C4' energy: -87.780
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: -61.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -717.210118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.210118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.210118 (E_RNA)
where:
Base-Base interactions energy: -416.272
where: short stacking energy: -198.852
Base-Backbone interact. energy: 1.055
local terms energy: -301.993207
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1829.130231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.130231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.130231 (E_RNA)
where:
Base-Base interactions energy: -1261.480
where: short stacking energy: -513.893
Base-Backbone interact. energy: -0.081
local terms energy: -567.569257
where:
bonds (distance) C4'-P energy: -103.728
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -123.061
flat angles P-C4'-P energy: -94.728
tors. eta vs tors. theta energy: -156.672
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: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1762.745753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.745753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.745753 (E_RNA)
where:
Base-Base interactions energy: -1244.719
where: short stacking energy: -527.045
Base-Backbone interact. energy: -1.886
local terms energy: -516.141443
where:
bonds (distance) C4'-P energy: -97.981
bonds (distance) P-C4' energy: -89.489
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -73.932
tors. eta vs tors. theta energy: -148.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1730.162438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.162438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.162438 (E_RNA)
where:
Base-Base interactions energy: -1234.070
where: short stacking energy: -487.912
Base-Backbone interact. energy: -2.299
local terms energy: -493.792861
where:
bonds (distance) C4'-P energy: -79.642
bonds (distance) P-C4' energy: -87.673
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -70.822
tors. eta vs tors. theta energy: -141.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1713.769529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.769529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.769529 (E_RNA)
where:
Base-Base interactions energy: -1220.356
where: short stacking energy: -512.755
Base-Backbone interact. energy: -1.879
local terms energy: -491.533808
where:
bonds (distance) C4'-P energy: -90.835
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -59.171
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1656.635834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.635834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.635834 (E_RNA)
where:
Base-Base interactions energy: -1156.293
where: short stacking energy: -488.656
Base-Backbone interact. energy: -1.365
local terms energy: -498.977559
where:
bonds (distance) C4'-P energy: -93.239
bonds (distance) P-C4' energy: -82.086
flat angles C4'-P-C4' energy: -113.443
flat angles P-C4'-P energy: -76.201
tors. eta vs tors. theta energy: -134.008
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: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1506.313781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.313781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.313781 (E_RNA)
where:
Base-Base interactions energy: -1040.522
where: short stacking energy: -422.113
Base-Backbone interact. energy: 4.461
local terms energy: -470.253401
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -91.233
flat angles C4'-P-C4' energy: -88.562
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -114.043
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: 309
Temperature: 1.200000
Total energy: -1366.912020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.912020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.912020 (E_RNA)
where:
Base-Base interactions energy: -956.331
where: short stacking energy: -391.987
Base-Backbone interact. energy: 0.469
local terms energy: -411.049851
where:
bonds (distance) C4'-P energy: -83.827
bonds (distance) P-C4' energy: -76.390
flat angles C4'-P-C4' energy: -92.598
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: -100.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1252.700642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.700642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.700642 (E_RNA)
where:
Base-Base interactions energy: -876.172
where: short stacking energy: -362.399
Base-Backbone interact. energy: -0.617
local terms energy: -375.911593
where:
bonds (distance) C4'-P energy: -65.850
bonds (distance) P-C4' energy: -68.252
flat angles C4'-P-C4' energy: -88.740
flat angles P-C4'-P energy: -55.230
tors. eta vs tors. theta energy: -97.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -929.605858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.605858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.605858 (E_RNA)
where:
Base-Base interactions energy: -589.206
where: short stacking energy: -289.137
Base-Backbone interact. energy: 0.082
local terms energy: -340.482277
where:
bonds (distance) C4'-P energy: -74.704
bonds (distance) P-C4' energy: -76.839
flat angles C4'-P-C4' energy: -76.239
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -60.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -746.439987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.439987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.439987 (E_RNA)
where:
Base-Base interactions energy: -464.189
where: short stacking energy: -229.608
Base-Backbone interact. energy: -0.797
local terms energy: -281.454397
where:
bonds (distance) C4'-P energy: -67.110
bonds (distance) P-C4' energy: -76.908
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -44.035
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1868.370853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.370853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.370853 (E_RNA)
where:
Base-Base interactions energy: -1305.637
where: short stacking energy: -542.440
Base-Backbone interact. energy: -0.495
local terms energy: -562.238373
where:
bonds (distance) C4'-P energy: -98.461
bonds (distance) P-C4' energy: -101.692
flat angles C4'-P-C4' energy: -123.307
flat angles P-C4'-P energy: -76.832
tors. eta vs tors. theta energy: -161.948
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1774.730105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.730105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.730105 (E_RNA)
where:
Base-Base interactions energy: -1246.737
where: short stacking energy: -517.177
Base-Backbone interact. energy: 0.948
local terms energy: -528.941387
where:
bonds (distance) C4'-P energy: -106.168
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -105.673
flat angles P-C4'-P energy: -78.812
tors. eta vs tors. theta energy: -142.158
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1761.212750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.212750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.212750 (E_RNA)
where:
Base-Base interactions energy: -1242.434
where: short stacking energy: -492.008
Base-Backbone interact. energy: -2.797
local terms energy: -515.981625
where:
bonds (distance) C4'-P energy: -89.648
bonds (distance) P-C4' energy: -99.462
flat angles C4'-P-C4' energy: -109.859
flat angles P-C4'-P energy: -76.839
tors. eta vs tors. theta energy: -140.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1674.945544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.945544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.945544 (E_RNA)
where:
Base-Base interactions energy: -1192.122
where: short stacking energy: -506.128
Base-Backbone interact. energy: -1.174
local terms energy: -481.649121
where:
bonds (distance) C4'-P energy: -82.654
bonds (distance) P-C4' energy: -87.835
flat angles C4'-P-C4' energy: -107.336
flat angles P-C4'-P energy: -63.818
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: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1629.875552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.875552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.875552 (E_RNA)
where:
Base-Base interactions energy: -1160.575
where: short stacking energy: -474.169
Base-Backbone interact. energy: -0.811
local terms energy: -468.489527
where:
bonds (distance) C4'-P energy: -96.492
bonds (distance) P-C4' energy: -79.498
flat angles C4'-P-C4' energy: -98.413
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: -132.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1525.263844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.263844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.263844 (E_RNA)
where:
Base-Base interactions energy: -1075.150
where: short stacking energy: -428.944
Base-Backbone interact. energy: -1.906
local terms energy: -448.208054
where:
bonds (distance) C4'-P energy: -88.929
bonds (distance) P-C4' energy: -73.196
flat angles C4'-P-C4' energy: -105.493
flat angles P-C4'-P energy: -61.666
tors. eta vs tors. theta energy: -118.925
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: 310
Temperature: 1.200000
Total energy: -1342.051014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.051014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.051014 (E_RNA)
where:
Base-Base interactions energy: -922.382
where: short stacking energy: -390.072
Base-Backbone interact. energy: -1.239
local terms energy: -418.429985
where:
bonds (distance) C4'-P energy: -78.956
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -91.356
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: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1296.272401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.272401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.272401 (E_RNA)
where:
Base-Base interactions energy: -883.632
where: short stacking energy: -386.579
Base-Backbone interact. energy: -1.350
local terms energy: -411.289695
where:
bonds (distance) C4'-P energy: -83.784
bonds (distance) P-C4' energy: -85.448
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -56.349
tors. eta vs tors. theta energy: -91.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -842.623106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.623106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.623106 (E_RNA)
where:
Base-Base interactions energy: -518.123
where: short stacking energy: -255.663
Base-Backbone interact. energy: 0.476
local terms energy: -324.975903
where:
bonds (distance) C4'-P energy: -85.100
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -82.271
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -40.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -888.250609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.250609 (E_RNA)
where:
Base-Base interactions energy: -561.258
where: short stacking energy: -246.228
Base-Backbone interact. energy: -0.113
local terms energy: -326.878758
where:
bonds (distance) C4'-P energy: -64.248
bonds (distance) P-C4' energy: -88.824
flat angles C4'-P-C4' energy: -85.711
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -54.716
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: 311
Temperature: 0.900000
Total energy: -1847.555037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.555037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.555037 (E_RNA)
where:
Base-Base interactions energy: -1300.781
where: short stacking energy: -548.344
Base-Backbone interact. energy: -1.518
local terms energy: -545.256070
where:
bonds (distance) C4'-P energy: -89.475
bonds (distance) P-C4' energy: -115.021
flat angles C4'-P-C4' energy: -103.586
flat angles P-C4'-P energy: -70.895
tors. eta vs tors. theta energy: -166.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1783.062047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.062047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.062047 (E_RNA)
where:
Base-Base interactions energy: -1273.324
where: short stacking energy: -532.798
Base-Backbone interact. energy: -2.186
local terms energy: -507.551868
where:
bonds (distance) C4'-P energy: -79.948
bonds (distance) P-C4' energy: -90.708
flat angles C4'-P-C4' energy: -105.549
flat angles P-C4'-P energy: -82.511
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: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1758.763611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.763611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.763611 (E_RNA)
where:
Base-Base interactions energy: -1260.373
where: short stacking energy: -513.104
Base-Backbone interact. energy: -2.229
local terms energy: -496.161367
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -100.114
flat angles C4'-P-C4' energy: -105.095
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -140.830
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: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1673.741365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.741365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.741365 (E_RNA)
where:
Base-Base interactions energy: -1150.881
where: short stacking energy: -488.157
Base-Backbone interact. energy: -2.032
local terms energy: -520.828461
where:
bonds (distance) C4'-P energy: -102.728
bonds (distance) P-C4' energy: -97.726
flat angles C4'-P-C4' energy: -104.963
flat angles P-C4'-P energy: -67.641
tors. eta vs tors. theta energy: -147.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1625.108451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.108451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.108451 (E_RNA)
where:
Base-Base interactions energy: -1139.718
where: short stacking energy: -464.625
Base-Backbone interact. energy: -2.019
local terms energy: -483.371885
where:
bonds (distance) C4'-P energy: -78.186
bonds (distance) P-C4' energy: -97.780
flat angles C4'-P-C4' energy: -106.830
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -133.595
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1489.075681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.075681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.075681 (E_RNA)
where:
Base-Base interactions energy: -1045.084
where: short stacking energy: -424.101
Base-Backbone interact. energy: -2.954
local terms energy: -441.038214
where:
bonds (distance) C4'-P energy: -81.285
bonds (distance) P-C4' energy: -94.923
flat angles C4'-P-C4' energy: -89.255
flat angles P-C4'-P energy: -63.933
tors. eta vs tors. theta energy: -111.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1365.866808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.866808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.866808 (E_RNA)
where:
Base-Base interactions energy: -960.013
where: short stacking energy: -389.121
Base-Backbone interact. energy: -1.163
local terms energy: -404.690340
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -70.451
flat angles C4'-P-C4' energy: -92.872
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -103.188
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: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1254.264798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.264798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.264798 (E_RNA)
where:
Base-Base interactions energy: -859.925
where: short stacking energy: -361.475
Base-Backbone interact. energy: 0.911
local terms energy: -395.250774
where:
bonds (distance) C4'-P energy: -82.878
bonds (distance) P-C4' energy: -89.044
flat angles C4'-P-C4' energy: -82.191
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -90.102
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: 311
Temperature: 1.300000
Total energy: -887.702126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.702126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.702126 (E_RNA)
where:
Base-Base interactions energy: -559.097
where: short stacking energy: -243.320
Base-Backbone interact. energy: 4.169
local terms energy: -332.773889
where:
bonds (distance) C4'-P energy: -89.169
bonds (distance) P-C4' energy: -72.325
flat angles C4'-P-C4' energy: -86.013
flat angles P-C4'-P energy: -55.242
tors. eta vs tors. theta energy: -30.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -832.789009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.789009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.789009 (E_RNA)
where:
Base-Base interactions energy: -528.604
where: short stacking energy: -229.553
Base-Backbone interact. energy: -0.840
local terms energy: -303.345646
where:
bonds (distance) C4'-P energy: -72.470
bonds (distance) P-C4' energy: -78.246
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: -31.243
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: 312
Temperature: 0.900000
Total energy: -1833.307057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.307057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.307057 (E_RNA)
where:
Base-Base interactions energy: -1278.554
where: short stacking energy: -532.597
Base-Backbone interact. energy: -0.023
local terms energy: -554.729466
where:
bonds (distance) C4'-P energy: -94.326
bonds (distance) P-C4' energy: -100.065
flat angles C4'-P-C4' energy: -117.677
flat angles P-C4'-P energy: -85.401
tors. eta vs tors. theta energy: -157.261
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: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1801.132602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.132602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.132602 (E_RNA)
where:
Base-Base interactions energy: -1267.807
where: short stacking energy: -528.295
Base-Backbone interact. energy: -1.257
local terms energy: -532.068690
where:
bonds (distance) C4'-P energy: -87.847
bonds (distance) P-C4' energy: -105.433
flat angles C4'-P-C4' energy: -105.986
flat angles P-C4'-P energy: -84.751
tors. eta vs tors. theta energy: -148.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1760.001329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.001329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.001329 (E_RNA)
where:
Base-Base interactions energy: -1229.519
where: short stacking energy: -525.701
Base-Backbone interact. energy: -2.183
local terms energy: -528.299799
where:
bonds (distance) C4'-P energy: -93.168
bonds (distance) P-C4' energy: -97.604
flat angles C4'-P-C4' energy: -107.100
flat angles P-C4'-P energy: -82.483
tors. eta vs tors. theta energy: -147.945
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: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1648.757069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.757069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.757069 (E_RNA)
where:
Base-Base interactions energy: -1170.052
where: short stacking energy: -479.224
Base-Backbone interact. energy: -1.034
local terms energy: -477.670255
where:
bonds (distance) C4'-P energy: -80.787
bonds (distance) P-C4' energy: -95.749
flat angles C4'-P-C4' energy: -94.183
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -133.382
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: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1550.749603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.749603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.749603 (E_RNA)
where:
Base-Base interactions energy: -1092.246
where: short stacking energy: -448.869
Base-Backbone interact. energy: -0.767
local terms energy: -457.735891
where:
bonds (distance) C4'-P energy: -67.377
bonds (distance) P-C4' energy: -91.634
flat angles C4'-P-C4' energy: -98.315
flat angles P-C4'-P energy: -63.979
tors. eta vs tors. theta energy: -136.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1642.341838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.341838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.341838 (E_RNA)
where:
Base-Base interactions energy: -1145.935
where: short stacking energy: -476.414
Base-Backbone interact. energy: -0.473
local terms energy: -495.933712
where:
bonds (distance) C4'-P energy: -83.282
bonds (distance) P-C4' energy: -94.736
flat angles C4'-P-C4' energy: -93.630
flat angles P-C4'-P energy: -75.079
tors. eta vs tors. theta energy: -149.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1383.502528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.502528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.502528 (E_RNA)
where:
Base-Base interactions energy: -967.928
where: short stacking energy: -416.581
Base-Backbone interact. energy: 2.169
local terms energy: -417.742975
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -84.847
flat angles C4'-P-C4' energy: -77.134
flat angles P-C4'-P energy: -57.388
tors. eta vs tors. theta energy: -109.136
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: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1271.416543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.416543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.416543 (E_RNA)
where:
Base-Base interactions energy: -862.767
where: short stacking energy: -361.961
Base-Backbone interact. energy: -3.184
local terms energy: -405.465560
where:
bonds (distance) C4'-P energy: -76.595
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -90.586
flat angles P-C4'-P energy: -63.575
tors. eta vs tors. theta energy: -99.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -860.172401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.172401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.172401 (E_RNA)
where:
Base-Base interactions energy: -529.760
where: short stacking energy: -243.457
Base-Backbone interact. energy: 0.777
local terms energy: -331.189037
where:
bonds (distance) C4'-P energy: -81.752
bonds (distance) P-C4' energy: -77.325
flat angles C4'-P-C4' energy: -79.853
flat angles P-C4'-P energy: -51.542
tors. eta vs tors. theta energy: -40.717
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -845.779547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.779547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.779547 (E_RNA)
where:
Base-Base interactions energy: -551.657
where: short stacking energy: -258.694
Base-Backbone interact. energy: 0.949
local terms energy: -295.071186
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -56.107
flat angles C4'-P-C4' energy: -65.917
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -43.045
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1830.619257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.619257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.619257 (E_RNA)
where:
Base-Base interactions energy: -1283.540
where: short stacking energy: -514.521
Base-Backbone interact. energy: -4.226
local terms energy: -542.852794
where:
bonds (distance) C4'-P energy: -92.733
bonds (distance) P-C4' energy: -102.970
flat angles C4'-P-C4' energy: -119.314
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -148.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1814.775778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.775778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.775778 (E_RNA)
where:
Base-Base interactions energy: -1290.358
where: short stacking energy: -524.258
Base-Backbone interact. energy: -2.259
local terms energy: -522.158810
where:
bonds (distance) C4'-P energy: -79.672
bonds (distance) P-C4' energy: -108.286
flat angles C4'-P-C4' energy: -107.474
flat angles P-C4'-P energy: -79.239
tors. eta vs tors. theta energy: -147.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1748.557859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.557859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.557859 (E_RNA)
where:
Base-Base interactions energy: -1240.438
where: short stacking energy: -524.748
Base-Backbone interact. energy: -2.138
local terms energy: -505.982736
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -92.256
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: -145.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1681.188687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.188687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.188687 (E_RNA)
where:
Base-Base interactions energy: -1198.023
where: short stacking energy: -495.414
Base-Backbone interact. energy: -1.517
local terms energy: -481.648800
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -79.235
flat angles C4'-P-C4' energy: -100.933
flat angles P-C4'-P energy: -74.898
tors. eta vs tors. theta energy: -135.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1560.300408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.300408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.300408 (E_RNA)
where:
Base-Base interactions energy: -1088.805
where: short stacking energy: -448.322
Base-Backbone interact. energy: -2.772
local terms energy: -468.723367
where:
bonds (distance) C4'-P energy: -77.952
bonds (distance) P-C4' energy: -93.310
flat angles C4'-P-C4' energy: -108.607
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -123.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1600.017850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.017850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.017850 (E_RNA)
where:
Base-Base interactions energy: -1141.108
where: short stacking energy: -482.116
Base-Backbone interact. energy: 2.526
local terms energy: -461.434885
where:
bonds (distance) C4'-P energy: -76.537
bonds (distance) P-C4' energy: -82.243
flat angles C4'-P-C4' energy: -99.007
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -130.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1354.095646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.095646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.095646 (E_RNA)
where:
Base-Base interactions energy: -937.252
where: short stacking energy: -386.051
Base-Backbone interact. energy: -2.253
local terms energy: -414.591487
where:
bonds (distance) C4'-P energy: -76.036
bonds (distance) P-C4' energy: -86.056
flat angles C4'-P-C4' energy: -89.923
flat angles P-C4'-P energy: -64.439
tors. eta vs tors. theta energy: -98.137
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: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1293.008504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.008504 (E_RNA)
where:
Base-Base interactions energy: -905.810
where: short stacking energy: -385.140
Base-Backbone interact. energy: 3.284
local terms energy: -390.482638
where:
bonds (distance) C4'-P energy: -68.131
bonds (distance) P-C4' energy: -83.985
flat angles C4'-P-C4' energy: -89.912
flat angles P-C4'-P energy: -58.344
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -825.761565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.761565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.761565 (E_RNA)
where:
Base-Base interactions energy: -511.944
where: short stacking energy: -225.397
Base-Backbone interact. energy: -1.902
local terms energy: -311.915960
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -67.953
flat angles C4'-P-C4' energy: -81.986
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -38.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -823.445263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.445263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.445263 (E_RNA)
where:
Base-Base interactions energy: -498.702
where: short stacking energy: -223.850
Base-Backbone interact. energy: -0.543
local terms energy: -324.199894
where:
bonds (distance) C4'-P energy: -77.381
bonds (distance) P-C4' energy: -96.184
flat angles C4'-P-C4' energy: -80.156
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1842.672527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.672527 (E_RNA)
where:
Base-Base interactions energy: -1310.349
where: short stacking energy: -542.348
Base-Backbone interact. energy: -1.142
local terms energy: -531.181466
where:
bonds (distance) C4'-P energy: -88.638
bonds (distance) P-C4' energy: -89.958
flat angles C4'-P-C4' energy: -113.856
flat angles P-C4'-P energy: -94.359
tors. eta vs tors. theta energy: -144.370
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1786.056423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.056423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.056423 (E_RNA)
where:
Base-Base interactions energy: -1266.166
where: short stacking energy: -512.015
Base-Backbone interact. energy: -0.194
local terms energy: -519.696097
where:
bonds (distance) C4'-P energy: -98.748
bonds (distance) P-C4' energy: -83.636
flat angles C4'-P-C4' energy: -109.775
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -148.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1770.090897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.090897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.090897 (E_RNA)
where:
Base-Base interactions energy: -1274.545
where: short stacking energy: -523.244
Base-Backbone interact. energy: -2.790
local terms energy: -492.755161
where:
bonds (distance) C4'-P energy: -84.287
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -104.614
flat angles P-C4'-P energy: -69.154
tors. eta vs tors. theta energy: -149.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1666.556185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.556185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.556185 (E_RNA)
where:
Base-Base interactions energy: -1192.947
where: short stacking energy: -496.775
Base-Backbone interact. energy: 2.957
local terms energy: -476.566311
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -98.949
flat angles P-C4'-P energy: -63.023
tors. eta vs tors. theta energy: -145.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1656.713302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.713302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.713302 (E_RNA)
where:
Base-Base interactions energy: -1159.837
where: short stacking energy: -476.754
Base-Backbone interact. energy: -1.599
local terms energy: -495.277945
where:
bonds (distance) C4'-P energy: -85.115
bonds (distance) P-C4' energy: -99.790
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -67.324
tors. eta vs tors. theta energy: -145.735
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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1553.356207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.356207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.356207 (E_RNA)
where:
Base-Base interactions energy: -1080.463
where: short stacking energy: -449.063
Base-Backbone interact. energy: -0.162
local terms energy: -472.731819
where:
bonds (distance) C4'-P energy: -90.777
bonds (distance) P-C4' energy: -75.066
flat angles C4'-P-C4' energy: -107.367
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -129.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1338.957746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.957746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.957746 (E_RNA)
where:
Base-Base interactions energy: -935.400
where: short stacking energy: -379.083
Base-Backbone interact. energy: -1.179
local terms energy: -402.378541
where:
bonds (distance) C4'-P energy: -68.406
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -82.960
flat angles P-C4'-P energy: -74.682
tors. eta vs tors. theta energy: -93.167
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: 314
Temperature: 1.250000
Total energy: -1284.275472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.275472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.275472 (E_RNA)
where:
Base-Base interactions energy: -897.442
where: short stacking energy: -383.645
Base-Backbone interact. energy: 5.216
local terms energy: -392.049855
where:
bonds (distance) C4'-P energy: -71.991
bonds (distance) P-C4' energy: -81.891
flat angles C4'-P-C4' energy: -85.368
flat angles P-C4'-P energy: -57.078
tors. eta vs tors. theta energy: -95.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -859.325362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.325362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.325362 (E_RNA)
where:
Base-Base interactions energy: -520.163
where: short stacking energy: -251.890
Base-Backbone interact. energy: -0.288
local terms energy: -338.874677
where:
bonds (distance) C4'-P energy: -73.428
bonds (distance) P-C4' energy: -89.580
flat angles C4'-P-C4' energy: -87.328
flat angles P-C4'-P energy: -44.448
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -783.232860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.232860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.232860 (E_RNA)
where:
Base-Base interactions energy: -474.827
where: short stacking energy: -196.384
Base-Backbone interact. energy: -1.986
local terms energy: -306.419957
where:
bonds (distance) C4'-P energy: -82.511
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1860.566245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.566245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.566245 (E_RNA)
where:
Base-Base interactions energy: -1314.365
where: short stacking energy: -548.421
Base-Backbone interact. energy: -0.436
local terms energy: -545.765036
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -101.692
flat angles C4'-P-C4' energy: -119.932
flat angles P-C4'-P energy: -79.891
tors. eta vs tors. theta energy: -153.169
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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1808.899633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.899633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.899633 (E_RNA)
where:
Base-Base interactions energy: -1293.640
where: short stacking energy: -525.574
Base-Backbone interact. energy: -2.924
local terms energy: -512.335168
where:
bonds (distance) C4'-P energy: -94.265
bonds (distance) P-C4' energy: -93.953
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -69.253
tors. eta vs tors. theta energy: -148.944
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: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1745.883007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.883007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.883007 (E_RNA)
where:
Base-Base interactions energy: -1210.139
where: short stacking energy: -501.083
Base-Backbone interact. energy: 0.029
local terms energy: -535.773263
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -108.726
flat angles P-C4'-P energy: -74.901
tors. eta vs tors. theta energy: -152.900
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: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1649.403881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.403881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.403881 (E_RNA)
where:
Base-Base interactions energy: -1153.791
where: short stacking energy: -493.694
Base-Backbone interact. energy: 2.340
local terms energy: -497.952834
where:
bonds (distance) C4'-P energy: -83.369
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -110.462
flat angles P-C4'-P energy: -73.478
tors. eta vs tors. theta energy: -134.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1673.026905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.026905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.026905 (E_RNA)
where:
Base-Base interactions energy: -1193.233
where: short stacking energy: -479.040
Base-Backbone interact. energy: -0.874
local terms energy: -478.920559
where:
bonds (distance) C4'-P energy: -84.970
bonds (distance) P-C4' energy: -89.835
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -67.093
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: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1510.269014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.269014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.269014 (E_RNA)
where:
Base-Base interactions energy: -1074.188
where: short stacking energy: -452.027
Base-Backbone interact. energy: 1.431
local terms energy: -437.512535
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -95.877
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: -122.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1363.081267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.081267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.081267 (E_RNA)
where:
Base-Base interactions energy: -904.690
where: short stacking energy: -408.788
Base-Backbone interact. energy: 1.698
local terms energy: -460.089449
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -89.593
flat angles C4'-P-C4' energy: -102.488
flat angles P-C4'-P energy: -62.085
tors. eta vs tors. theta energy: -115.560
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: 315
Temperature: 1.250000
Total energy: -1246.869857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.869857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.869857 (E_RNA)
where:
Base-Base interactions energy: -849.864
where: short stacking energy: -365.841
Base-Backbone interact. energy: -1.305
local terms energy: -395.700923
where:
bonds (distance) C4'-P energy: -86.467
bonds (distance) P-C4' energy: -77.685
flat angles C4'-P-C4' energy: -86.378
flat angles P-C4'-P energy: -56.659
tors. eta vs tors. theta energy: -88.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -856.841643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.841643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.841643 (E_RNA)
where:
Base-Base interactions energy: -523.817
where: short stacking energy: -246.070
Base-Backbone interact. energy: 5.133
local terms energy: -338.157765
where:
bonds (distance) C4'-P energy: -73.907
bonds (distance) P-C4' energy: -82.124
flat angles C4'-P-C4' energy: -86.294
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: -37.173
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -780.809521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.809521 (E_RNA)
where:
Base-Base interactions energy: -495.712
where: short stacking energy: -230.120
Base-Backbone interact. energy: 3.176
local terms energy: -288.273980
where:
bonds (distance) C4'-P energy: -66.023
bonds (distance) P-C4' energy: -86.647
flat angles C4'-P-C4' energy: -60.248
flat angles P-C4'-P energy: -55.817
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1824.834746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.834746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.834746 (E_RNA)
where:
Base-Base interactions energy: -1299.748
where: short stacking energy: -538.746
Base-Backbone interact. energy: -2.027
local terms energy: -523.059687
where:
bonds (distance) C4'-P energy: -92.204
bonds (distance) P-C4' energy: -96.052
flat angles C4'-P-C4' energy: -113.602
flat angles P-C4'-P energy: -66.169
tors. eta vs tors. theta energy: -155.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1795.429162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.429162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.429162 (E_RNA)
where:
Base-Base interactions energy: -1249.436
where: short stacking energy: -518.798
Base-Backbone interact. energy: -0.697
local terms energy: -545.295803
where:
bonds (distance) C4'-P energy: -101.505
bonds (distance) P-C4' energy: -102.697
flat angles C4'-P-C4' energy: -105.794
flat angles P-C4'-P energy: -89.730
tors. eta vs tors. theta energy: -145.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1743.523532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.523532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.523532 (E_RNA)
where:
Base-Base interactions energy: -1224.644
where: short stacking energy: -506.307
Base-Backbone interact. energy: -1.963
local terms energy: -516.916458
where:
bonds (distance) C4'-P energy: -89.357
bonds (distance) P-C4' energy: -93.848
flat angles C4'-P-C4' energy: -114.317
flat angles P-C4'-P energy: -70.169
tors. eta vs tors. theta energy: -149.225
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: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1669.861984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.861984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.861984 (E_RNA)
where:
Base-Base interactions energy: -1173.735
where: short stacking energy: -485.323
Base-Backbone interact. energy: -0.370
local terms energy: -495.757215
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -101.164
flat angles C4'-P-C4' energy: -107.870
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -134.393
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: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1645.226193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.226193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.226193 (E_RNA)
where:
Base-Base interactions energy: -1158.033
where: short stacking energy: -481.272
Base-Backbone interact. energy: -2.187
local terms energy: -485.006996
where:
bonds (distance) C4'-P energy: -74.587
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -109.276
flat angles P-C4'-P energy: -69.730
tors. eta vs tors. theta energy: -143.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1528.085389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.085389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.085389 (E_RNA)
where:
Base-Base interactions energy: -1071.248
where: short stacking energy: -468.143
Base-Backbone interact. energy: -1.934
local terms energy: -454.903043
where:
bonds (distance) C4'-P energy: -80.677
bonds (distance) P-C4' energy: -86.754
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -128.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1329.782343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.782343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.782343 (E_RNA)
where:
Base-Base interactions energy: -927.524
where: short stacking energy: -386.818
Base-Backbone interact. energy: -0.065
local terms energy: -402.194221
where:
bonds (distance) C4'-P energy: -79.873
bonds (distance) P-C4' energy: -73.296
flat angles C4'-P-C4' energy: -86.819
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -97.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1322.716515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.716515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.716515 (E_RNA)
where:
Base-Base interactions energy: -911.539
where: short stacking energy: -379.638
Base-Backbone interact. energy: -1.542
local terms energy: -409.635589
where:
bonds (distance) C4'-P energy: -80.149
bonds (distance) P-C4' energy: -73.196
flat angles C4'-P-C4' energy: -94.604
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -96.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -874.259467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.259467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.259467 (E_RNA)
where:
Base-Base interactions energy: -539.914
where: short stacking energy: -260.927
Base-Backbone interact. energy: -0.797
local terms energy: -333.548761
where:
bonds (distance) C4'-P energy: -71.316
bonds (distance) P-C4' energy: -87.688
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -49.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -719.235673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.235673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.235673 (E_RNA)
where:
Base-Base interactions energy: -437.535
where: short stacking energy: -217.594
Base-Backbone interact. energy: 1.444
local terms energy: -283.144946
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -91.497
flat angles C4'-P-C4' energy: -68.583
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -22.210
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: 317
Temperature: 0.900000
Total energy: -1829.070159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.070159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.070159 (E_RNA)
where:
Base-Base interactions energy: -1285.411
where: short stacking energy: -521.090
Base-Backbone interact. energy: 4.393
local terms energy: -548.052540
where:
bonds (distance) C4'-P energy: -94.801
bonds (distance) P-C4' energy: -105.066
flat angles C4'-P-C4' energy: -117.301
flat angles P-C4'-P energy: -90.239
tors. eta vs tors. theta energy: -140.645
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: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1770.822961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.822961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.822961 (E_RNA)
where:
Base-Base interactions energy: -1258.679
where: short stacking energy: -507.249
Base-Backbone interact. energy: -0.095
local terms energy: -512.048625
where:
bonds (distance) C4'-P energy: -89.751
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -98.297
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -142.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1750.748358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.748358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.748358 (E_RNA)
where:
Base-Base interactions energy: -1227.811
where: short stacking energy: -521.534
Base-Backbone interact. energy: 0.224
local terms energy: -523.160664
where:
bonds (distance) C4'-P energy: -92.373
bonds (distance) P-C4' energy: -98.751
flat angles C4'-P-C4' energy: -107.319
flat angles P-C4'-P energy: -73.880
tors. eta vs tors. theta energy: -150.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1674.878257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.878257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.878257 (E_RNA)
where:
Base-Base interactions energy: -1158.154
where: short stacking energy: -474.268
Base-Backbone interact. energy: -2.857
local terms energy: -513.867769
where:
bonds (distance) C4'-P energy: -96.852
bonds (distance) P-C4' energy: -98.984
flat angles C4'-P-C4' energy: -111.258
flat angles P-C4'-P energy: -72.483
tors. eta vs tors. theta energy: -134.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1630.346088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.346088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.346088 (E_RNA)
where:
Base-Base interactions energy: -1160.644
where: short stacking energy: -459.936
Base-Backbone interact. energy: 1.789
local terms energy: -471.490916
where:
bonds (distance) C4'-P energy: -88.248
bonds (distance) P-C4' energy: -77.437
flat angles C4'-P-C4' energy: -105.660
flat angles P-C4'-P energy: -71.525
tors. eta vs tors. theta energy: -128.621
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1526.891191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.891191 (E_RNA)
where:
Base-Base interactions energy: -1077.088
where: short stacking energy: -452.068
Base-Backbone interact. energy: -0.919
local terms energy: -448.884344
where:
bonds (distance) C4'-P energy: -70.493
bonds (distance) P-C4' energy: -87.512
flat angles C4'-P-C4' energy: -96.137
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -121.998
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1327.956945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.956945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.956945 (E_RNA)
where:
Base-Base interactions energy: -918.149
where: short stacking energy: -385.781
Base-Backbone interact. energy: -0.670
local terms energy: -409.137406
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -83.994
flat angles C4'-P-C4' energy: -81.257
flat angles P-C4'-P energy: -56.508
tors. eta vs tors. theta energy: -104.148
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: 317
Temperature: 1.250000
Total energy: -1243.396109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.396109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.396109 (E_RNA)
where:
Base-Base interactions energy: -845.530
where: short stacking energy: -350.178
Base-Backbone interact. energy: -2.982
local terms energy: -394.883318
where:
bonds (distance) C4'-P energy: -77.011
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -81.543
flat angles P-C4'-P energy: -57.176
tors. eta vs tors. theta energy: -89.611
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: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -897.027049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.027049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.027049 (E_RNA)
where:
Base-Base interactions energy: -546.847
where: short stacking energy: -232.143
Base-Backbone interact. energy: -1.681
local terms energy: -348.499865
where:
bonds (distance) C4'-P energy: -75.394
bonds (distance) P-C4' energy: -80.039
flat angles C4'-P-C4' energy: -98.820
flat angles P-C4'-P energy: -57.454
tors. eta vs tors. theta energy: -36.792
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: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -759.290463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.290463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.290463 (E_RNA)
where:
Base-Base interactions energy: -467.899
where: short stacking energy: -219.099
Base-Backbone interact. energy: -0.379
local terms energy: -291.012360
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -74.312
flat angles C4'-P-C4' energy: -79.069
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1834.387213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.387213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.387213 (E_RNA)
where:
Base-Base interactions energy: -1307.297
where: short stacking energy: -534.263
Base-Backbone interact. energy: -0.875
local terms energy: -526.215369
where:
bonds (distance) C4'-P energy: -100.570
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -114.343
flat angles P-C4'-P energy: -80.873
tors. eta vs tors. theta energy: -145.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1783.345947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.345947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.345947 (E_RNA)
where:
Base-Base interactions energy: -1260.149
where: short stacking energy: -512.088
Base-Backbone interact. energy: -3.198
local terms energy: -519.999688
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -94.419
flat angles C4'-P-C4' energy: -109.231
flat angles P-C4'-P energy: -75.042
tors. eta vs tors. theta energy: -145.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1772.798885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.798885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.798885 (E_RNA)
where:
Base-Base interactions energy: -1263.215
where: short stacking energy: -544.542
Base-Backbone interact. energy: -0.014
local terms energy: -509.570004
where:
bonds (distance) C4'-P energy: -82.107
bonds (distance) P-C4' energy: -107.605
flat angles C4'-P-C4' energy: -102.603
flat angles P-C4'-P energy: -64.424
tors. eta vs tors. theta energy: -152.831
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: 318
Temperature: 1.050000
Total energy: -1674.371945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.371945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.371945 (E_RNA)
where:
Base-Base interactions energy: -1196.836
where: short stacking energy: -485.720
Base-Backbone interact. energy: -1.479
local terms energy: -476.056391
where:
bonds (distance) C4'-P energy: -85.758
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -100.731
flat angles P-C4'-P energy: -68.361
tors. eta vs tors. theta energy: -140.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1626.544027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.544027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.544027 (E_RNA)
where:
Base-Base interactions energy: -1157.893
where: short stacking energy: -485.270
Base-Backbone interact. energy: -2.961
local terms energy: -465.690178
where:
bonds (distance) C4'-P energy: -80.228
bonds (distance) P-C4' energy: -93.778
flat angles C4'-P-C4' energy: -95.328
flat angles P-C4'-P energy: -65.968
tors. eta vs tors. theta energy: -130.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1557.510455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.510455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.510455 (E_RNA)
where:
Base-Base interactions energy: -1088.653
where: short stacking energy: -455.501
Base-Backbone interact. energy: 0.098
local terms energy: -468.955166
where:
bonds (distance) C4'-P energy: -70.569
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -101.554
flat angles P-C4'-P energy: -67.773
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: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1316.431043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.431043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.431043 (E_RNA)
where:
Base-Base interactions energy: -888.043
where: short stacking energy: -371.786
Base-Backbone interact. energy: 0.381
local terms energy: -428.768424
where:
bonds (distance) C4'-P energy: -83.631
bonds (distance) P-C4' energy: -104.709
flat angles C4'-P-C4' energy: -81.856
flat angles P-C4'-P energy: -61.171
tors. eta vs tors. theta energy: -97.402
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1227.589657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.589657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.589657 (E_RNA)
where:
Base-Base interactions energy: -836.618
where: short stacking energy: -358.419
Base-Backbone interact. energy: -3.528
local terms energy: -387.442802
where:
bonds (distance) C4'-P energy: -81.097
bonds (distance) P-C4' energy: -78.370
flat angles C4'-P-C4' energy: -97.514
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -91.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -899.751927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.751927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.751927 (E_RNA)
where:
Base-Base interactions energy: -551.809
where: short stacking energy: -277.096
Base-Backbone interact. energy: 0.862
local terms energy: -348.804753
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -92.273
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -43.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -798.038721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.038721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.038721 (E_RNA)
where:
Base-Base interactions energy: -518.642
where: short stacking energy: -238.238
Base-Backbone interact. energy: -0.733
local terms energy: -278.663510
where:
bonds (distance) C4'-P energy: -58.460
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1838.988868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.988868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.988868 (E_RNA)
where:
Base-Base interactions energy: -1307.784
where: short stacking energy: -534.253
Base-Backbone interact. energy: -4.250
local terms energy: -526.955433
where:
bonds (distance) C4'-P energy: -103.569
bonds (distance) P-C4' energy: -83.246
flat angles C4'-P-C4' energy: -109.034
flat angles P-C4'-P energy: -78.816
tors. eta vs tors. theta energy: -152.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1785.945558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.945558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.945558 (E_RNA)
where:
Base-Base interactions energy: -1257.633
where: short stacking energy: -492.887
Base-Backbone interact. energy: -0.719
local terms energy: -527.593970
where:
bonds (distance) C4'-P energy: -90.034
bonds (distance) P-C4' energy: -108.024
flat angles C4'-P-C4' energy: -106.812
flat angles P-C4'-P energy: -75.419
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: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1758.925986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.925986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.925986 (E_RNA)
where:
Base-Base interactions energy: -1242.305
where: short stacking energy: -526.023
Base-Backbone interact. energy: -0.401
local terms energy: -516.219868
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -105.217
flat angles P-C4'-P energy: -71.612
tors. eta vs tors. theta energy: -155.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1701.615814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.615814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.615814 (E_RNA)
where:
Base-Base interactions energy: -1198.924
where: short stacking energy: -495.403
Base-Backbone interact. energy: -1.404
local terms energy: -501.287648
where:
bonds (distance) C4'-P energy: -91.723
bonds (distance) P-C4' energy: -99.026
flat angles C4'-P-C4' energy: -96.308
flat angles P-C4'-P energy: -74.722
tors. eta vs tors. theta energy: -139.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1614.928471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.928471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.928471 (E_RNA)
where:
Base-Base interactions energy: -1123.377
where: short stacking energy: -467.311
Base-Backbone interact. energy: -2.726
local terms energy: -488.825511
where:
bonds (distance) C4'-P energy: -86.108
bonds (distance) P-C4' energy: -88.900
flat angles C4'-P-C4' energy: -114.535
flat angles P-C4'-P energy: -67.053
tors. eta vs tors. theta energy: -132.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1544.078014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.078014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.078014 (E_RNA)
where:
Base-Base interactions energy: -1085.460
where: short stacking energy: -435.632
Base-Backbone interact. energy: -0.458
local terms energy: -458.159992
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -82.813
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -122.886
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: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1291.832349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.832349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.832349 (E_RNA)
where:
Base-Base interactions energy: -881.959
where: short stacking energy: -372.467
Base-Backbone interact. energy: 2.412
local terms energy: -412.284637
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -92.376
flat angles C4'-P-C4' energy: -100.793
flat angles P-C4'-P energy: -52.760
tors. eta vs tors. theta energy: -89.646
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1227.189834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.189834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.189834 (E_RNA)
where:
Base-Base interactions energy: -846.291
where: short stacking energy: -344.471
Base-Backbone interact. energy: -0.804
local terms energy: -380.094575
where:
bonds (distance) C4'-P energy: -69.263
bonds (distance) P-C4' energy: -77.395
flat angles C4'-P-C4' energy: -92.703
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -83.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -858.523211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.523211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.523211 (E_RNA)
where:
Base-Base interactions energy: -553.066
where: short stacking energy: -253.873
Base-Backbone interact. energy: -0.765
local terms energy: -304.691728
where:
bonds (distance) C4'-P energy: -71.194
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -67.444
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -30.447
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: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -785.046391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.046391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.046391 (E_RNA)
where:
Base-Base interactions energy: -458.154
where: short stacking energy: -206.386
Base-Backbone interact. energy: -1.706
local terms energy: -325.186348
where:
bonds (distance) C4'-P energy: -80.454
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -55.366
tors. eta vs tors. theta energy: -29.359
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: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1837.009111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.009111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.009111 (E_RNA)
where:
Base-Base interactions energy: -1294.955
where: short stacking energy: -520.322
Base-Backbone interact. energy: -4.381
local terms energy: -537.673766
where:
bonds (distance) C4'-P energy: -96.642
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -108.625
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -151.199
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: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1771.235318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.235318 (E_RNA)
where:
Base-Base interactions energy: -1247.019
where: short stacking energy: -517.542
Base-Backbone interact. energy: -2.781
local terms energy: -521.435036
where:
bonds (distance) C4'-P energy: -99.911
bonds (distance) P-C4' energy: -90.920
flat angles C4'-P-C4' energy: -109.177
flat angles P-C4'-P energy: -78.128
tors. eta vs tors. theta energy: -143.299
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: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1776.600525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.600525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.600525 (E_RNA)
where:
Base-Base interactions energy: -1250.380
where: short stacking energy: -536.611
Base-Backbone interact. energy: -2.426
local terms energy: -523.794170
where:
bonds (distance) C4'-P energy: -86.115
bonds (distance) P-C4' energy: -82.272
flat angles C4'-P-C4' energy: -113.679
flat angles P-C4'-P energy: -85.909
tors. eta vs tors. theta energy: -155.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1711.710703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.710703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.710703 (E_RNA)
where:
Base-Base interactions energy: -1203.048
where: short stacking energy: -487.103
Base-Backbone interact. energy: -2.519
local terms energy: -506.144134
where:
bonds (distance) C4'-P energy: -89.144
bonds (distance) P-C4' energy: -94.916
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -64.323
tors. eta vs tors. theta energy: -137.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1632.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.625045 (E_RNA)
where:
Base-Base interactions energy: -1159.398
where: short stacking energy: -484.713
Base-Backbone interact. energy: -2.743
local terms energy: -470.484612
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -106.498
flat angles P-C4'-P energy: -67.147
tors. eta vs tors. theta energy: -131.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1568.013959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.013959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.013959 (E_RNA)
where:
Base-Base interactions energy: -1127.739
where: short stacking energy: -459.554
Base-Backbone interact. energy: 2.545
local terms energy: -442.820331
where:
bonds (distance) C4'-P energy: -56.192
bonds (distance) P-C4' energy: -91.114
flat angles C4'-P-C4' energy: -105.353
flat angles P-C4'-P energy: -63.991
tors. eta vs tors. theta energy: -126.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1306.324340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.324340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.324340 (E_RNA)
where:
Base-Base interactions energy: -878.866
where: short stacking energy: -384.218
Base-Backbone interact. energy: 0.353
local terms energy: -427.811483
where:
bonds (distance) C4'-P energy: -91.093
bonds (distance) P-C4' energy: -81.132
flat angles C4'-P-C4' energy: -93.719
flat angles P-C4'-P energy: -60.996
tors. eta vs tors. theta energy: -100.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1314.687145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.687145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.687145 (E_RNA)
where:
Base-Base interactions energy: -922.537
where: short stacking energy: -388.651
Base-Backbone interact. energy: -2.187
local terms energy: -389.963140
where:
bonds (distance) C4'-P energy: -82.259
bonds (distance) P-C4' energy: -58.958
flat angles C4'-P-C4' energy: -95.864
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -96.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -858.970878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.970878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.970878 (E_RNA)
where:
Base-Base interactions energy: -541.732
where: short stacking energy: -263.418
Base-Backbone interact. energy: -0.552
local terms energy: -316.686539
where:
bonds (distance) C4'-P energy: -74.591
bonds (distance) P-C4' energy: -72.327
flat angles C4'-P-C4' energy: -81.844
flat angles P-C4'-P energy: -45.626
tors. eta vs tors. theta energy: -42.298
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -768.456651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.456651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.456651 (E_RNA)
where:
Base-Base interactions energy: -451.889
where: short stacking energy: -214.834
Base-Backbone interact. energy: -2.070
local terms energy: -314.497637
where:
bonds (distance) C4'-P energy: -76.296
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -84.885
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -29.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1851.178646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.178646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.178646 (E_RNA)
where:
Base-Base interactions energy: -1302.131
where: short stacking energy: -516.689
Base-Backbone interact. energy: -2.110
local terms energy: -546.937770
where:
bonds (distance) C4'-P energy: -101.383
bonds (distance) P-C4' energy: -98.805
flat angles C4'-P-C4' energy: -116.187
flat angles P-C4'-P energy: -82.774
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: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1798.682513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.682513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.682513 (E_RNA)
where:
Base-Base interactions energy: -1272.539
where: short stacking energy: -494.987
Base-Backbone interact. energy: -3.210
local terms energy: -522.933235
where:
bonds (distance) C4'-P energy: -103.258
bonds (distance) P-C4' energy: -96.040
flat angles C4'-P-C4' energy: -107.204
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -141.903
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: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1774.431774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.431774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.431774 (E_RNA)
where:
Base-Base interactions energy: -1235.296
where: short stacking energy: -531.002
Base-Backbone interact. energy: -0.537
local terms energy: -538.598126
where:
bonds (distance) C4'-P energy: -99.260
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -109.914
flat angles P-C4'-P energy: -81.967
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: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1709.222787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.222787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.222787 (E_RNA)
where:
Base-Base interactions energy: -1212.180
where: short stacking energy: -505.964
Base-Backbone interact. energy: 0.379
local terms energy: -497.421800
where:
bonds (distance) C4'-P energy: -83.775
bonds (distance) P-C4' energy: -88.004
flat angles C4'-P-C4' energy: -118.329
flat angles P-C4'-P energy: -64.374
tors. eta vs tors. theta energy: -142.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1624.523931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.523931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.523931 (E_RNA)
where:
Base-Base interactions energy: -1145.899
where: short stacking energy: -478.016
Base-Backbone interact. energy: -1.526
local terms energy: -477.098748
where:
bonds (distance) C4'-P energy: -88.413
bonds (distance) P-C4' energy: -94.170
flat angles C4'-P-C4' energy: -100.028
flat angles P-C4'-P energy: -60.966
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: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1550.007083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.007083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.007083 (E_RNA)
where:
Base-Base interactions energy: -1100.607
where: short stacking energy: -451.948
Base-Backbone interact. energy: 3.222
local terms energy: -452.621784
where:
bonds (distance) C4'-P energy: -92.966
bonds (distance) P-C4' energy: -79.672
flat angles C4'-P-C4' energy: -96.277
flat angles P-C4'-P energy: -68.053
tors. eta vs tors. theta energy: -115.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1282.102822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.102822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.102822 (E_RNA)
where:
Base-Base interactions energy: -866.996
where: short stacking energy: -382.900
Base-Backbone interact. energy: 0.056
local terms energy: -415.163325
where:
bonds (distance) C4'-P energy: -75.948
bonds (distance) P-C4' energy: -84.734
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -62.030
tors. eta vs tors. theta energy: -99.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1300.287708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.287708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.287708 (E_RNA)
where:
Base-Base interactions energy: -890.743
where: short stacking energy: -364.842
Base-Backbone interact. energy: -2.522
local terms energy: -407.023191
where:
bonds (distance) C4'-P energy: -64.670
bonds (distance) P-C4' energy: -87.406
flat angles C4'-P-C4' energy: -96.322
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: -99.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -824.313040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.313040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.313040 (E_RNA)
where:
Base-Base interactions energy: -499.307
where: short stacking energy: -231.313
Base-Backbone interact. energy: -2.309
local terms energy: -322.697069
where:
bonds (distance) C4'-P energy: -72.862
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -82.594
flat angles P-C4'-P energy: -63.867
tors. eta vs tors. theta energy: -42.592
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: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -749.251155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.251155 (E_RNA)
where:
Base-Base interactions energy: -454.564
where: short stacking energy: -204.759
Base-Backbone interact. energy: -3.434
local terms energy: -291.253304
where:
bonds (distance) C4'-P energy: -84.558
bonds (distance) P-C4' energy: -73.980
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -47.350
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1817.135277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.135277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.135277 (E_RNA)
where:
Base-Base interactions energy: -1275.004
where: short stacking energy: -520.752
Base-Backbone interact. energy: -1.818
local terms energy: -540.312627
where:
bonds (distance) C4'-P energy: -94.571
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -119.831
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -152.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1792.584115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.584115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.584115 (E_RNA)
where:
Base-Base interactions energy: -1263.832
where: short stacking energy: -504.176
Base-Backbone interact. energy: -1.033
local terms energy: -527.718672
where:
bonds (distance) C4'-P energy: -98.791
bonds (distance) P-C4' energy: -89.024
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -77.024
tors. eta vs tors. theta energy: -147.801
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: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1768.279904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.279904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.279904 (E_RNA)
where:
Base-Base interactions energy: -1243.089
where: short stacking energy: -521.769
Base-Backbone interact. energy: -2.034
local terms energy: -523.157291
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -99.358
flat angles C4'-P-C4' energy: -107.752
flat angles P-C4'-P energy: -74.158
tors. eta vs tors. theta energy: -150.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1728.350241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.350241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.350241 (E_RNA)
where:
Base-Base interactions energy: -1213.868
where: short stacking energy: -528.890
Base-Backbone interact. energy: -2.791
local terms energy: -511.691264
where:
bonds (distance) C4'-P energy: -97.765
bonds (distance) P-C4' energy: -82.854
flat angles C4'-P-C4' energy: -100.474
flat angles P-C4'-P energy: -72.934
tors. eta vs tors. theta energy: -157.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1659.026390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.026390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.026390 (E_RNA)
where:
Base-Base interactions energy: -1162.573
where: short stacking energy: -474.686
Base-Backbone interact. energy: 0.379
local terms energy: -496.832568
where:
bonds (distance) C4'-P energy: -88.129
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -96.672
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -148.543
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1529.444574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.444574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.444574 (E_RNA)
where:
Base-Base interactions energy: -1073.225
where: short stacking energy: -436.471
Base-Backbone interact. energy: -1.933
local terms energy: -454.286769
where:
bonds (distance) C4'-P energy: -92.120
bonds (distance) P-C4' energy: -87.107
flat angles C4'-P-C4' energy: -96.364
flat angles P-C4'-P energy: -65.390
tors. eta vs tors. theta energy: -113.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1324.071422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.071422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.071422 (E_RNA)
where:
Base-Base interactions energy: -882.207
where: short stacking energy: -380.816
Base-Backbone interact. energy: -2.869
local terms energy: -438.995375
where:
bonds (distance) C4'-P energy: -88.088
bonds (distance) P-C4' energy: -100.061
flat angles C4'-P-C4' energy: -97.463
flat angles P-C4'-P energy: -51.869
tors. eta vs tors. theta energy: -101.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1209.594467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.594467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.594467 (E_RNA)
where:
Base-Base interactions energy: -789.420
where: short stacking energy: -344.268
Base-Backbone interact. energy: -3.189
local terms energy: -416.985618
where:
bonds (distance) C4'-P energy: -63.149
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -94.070
flat angles P-C4'-P energy: -71.419
tors. eta vs tors. theta energy: -98.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -821.423970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.423970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.423970 (E_RNA)
where:
Base-Base interactions energy: -508.721
where: short stacking energy: -251.274
Base-Backbone interact. energy: -1.826
local terms energy: -310.877368
where:
bonds (distance) C4'-P energy: -73.180
bonds (distance) P-C4' energy: -70.460
flat angles C4'-P-C4' energy: -85.539
flat angles P-C4'-P energy: -44.166
tors. eta vs tors. theta energy: -37.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -674.469700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.469700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.469700 (E_RNA)
where:
Base-Base interactions energy: -407.057
where: short stacking energy: -183.613
Base-Backbone interact. energy: 1.973
local terms energy: -269.385554
where:
bonds (distance) C4'-P energy: -72.002
bonds (distance) P-C4' energy: -82.585
flat angles C4'-P-C4' energy: -61.616
flat angles P-C4'-P energy: -39.312
tors. eta vs tors. theta energy: -13.870
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: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1834.607311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.607311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.607311 (E_RNA)
where:
Base-Base interactions energy: -1292.563
where: short stacking energy: -536.646
Base-Backbone interact. energy: -2.206
local terms energy: -539.838341
where:
bonds (distance) C4'-P energy: -94.098
bonds (distance) P-C4' energy: -95.453
flat angles C4'-P-C4' energy: -117.552
flat angles P-C4'-P energy: -78.147
tors. eta vs tors. theta energy: -154.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1802.702980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.702980 (E_RNA)
where:
Base-Base interactions energy: -1267.729
where: short stacking energy: -510.997
Base-Backbone interact. energy: -2.179
local terms energy: -532.794442
where:
bonds (distance) C4'-P energy: -93.502
bonds (distance) P-C4' energy: -99.099
flat angles C4'-P-C4' energy: -115.690
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -145.920
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: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1777.806459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.806459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.806459 (E_RNA)
where:
Base-Base interactions energy: -1260.469
where: short stacking energy: -524.443
Base-Backbone interact. energy: -0.863
local terms energy: -516.474163
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -93.383
flat angles C4'-P-C4' energy: -108.858
flat angles P-C4'-P energy: -82.711
tors. eta vs tors. theta energy: -146.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1688.626726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.626726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.626726 (E_RNA)
where:
Base-Base interactions energy: -1174.849
where: short stacking energy: -499.352
Base-Backbone interact. energy: -1.467
local terms energy: -512.310173
where:
bonds (distance) C4'-P energy: -98.764
bonds (distance) P-C4' energy: -94.660
flat angles C4'-P-C4' energy: -102.945
flat angles P-C4'-P energy: -69.285
tors. eta vs tors. theta energy: -146.657
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: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1594.488149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.488149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.488149 (E_RNA)
where:
Base-Base interactions energy: -1121.210
where: short stacking energy: -473.551
Base-Backbone interact. energy: -1.820
local terms energy: -471.458370
where:
bonds (distance) C4'-P energy: -87.639
bonds (distance) P-C4' energy: -96.332
flat angles C4'-P-C4' energy: -95.691
flat angles P-C4'-P energy: -68.091
tors. eta vs tors. theta energy: -123.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1536.556886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.556886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.556886 (E_RNA)
where:
Base-Base interactions energy: -1095.303
where: short stacking energy: -455.377
Base-Backbone interact. energy: 2.162
local terms energy: -443.415327
where:
bonds (distance) C4'-P energy: -71.955
bonds (distance) P-C4' energy: -84.228
flat angles C4'-P-C4' energy: -102.205
flat angles P-C4'-P energy: -57.897
tors. eta vs tors. theta energy: -127.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1279.719993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.719993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.719993 (E_RNA)
where:
Base-Base interactions energy: -854.045
where: short stacking energy: -366.684
Base-Backbone interact. energy: -2.786
local terms energy: -422.888668
where:
bonds (distance) C4'-P energy: -86.041
bonds (distance) P-C4' energy: -86.067
flat angles C4'-P-C4' energy: -98.319
flat angles P-C4'-P energy: -55.570
tors. eta vs tors. theta energy: -96.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1233.281272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.281272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.281272 (E_RNA)
where:
Base-Base interactions energy: -836.746
where: short stacking energy: -345.462
Base-Backbone interact. energy: 1.333
local terms energy: -397.868727
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -86.574
flat angles C4'-P-C4' energy: -95.110
flat angles P-C4'-P energy: -58.374
tors. eta vs tors. theta energy: -85.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -777.562224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.562224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.562224 (E_RNA)
where:
Base-Base interactions energy: -442.852
where: short stacking energy: -208.366
Base-Backbone interact. energy: -0.395
local terms energy: -334.315055
where:
bonds (distance) C4'-P energy: -73.043
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -84.553
flat angles P-C4'-P energy: -59.468
tors. eta vs tors. theta energy: -26.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -739.686680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.686680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.686680 (E_RNA)
where:
Base-Base interactions energy: -448.195
where: short stacking energy: -209.443
Base-Backbone interact. energy: -2.507
local terms energy: -288.984581
where:
bonds (distance) C4'-P energy: -68.824
bonds (distance) P-C4' energy: -87.850
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1837.748930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.748930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.748930 (E_RNA)
where:
Base-Base interactions energy: -1322.928
where: short stacking energy: -535.855
Base-Backbone interact. energy: -2.213
local terms energy: -512.607891
where:
bonds (distance) C4'-P energy: -82.972
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -110.105
flat angles P-C4'-P energy: -72.480
tors. eta vs tors. theta energy: -151.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1798.249234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.249234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.249234 (E_RNA)
where:
Base-Base interactions energy: -1285.348
where: short stacking energy: -512.414
Base-Backbone interact. energy: -0.508
local terms energy: -512.393800
where:
bonds (distance) C4'-P energy: -97.949
bonds (distance) P-C4' energy: -77.963
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -74.715
tors. eta vs tors. theta energy: -153.853
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: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1764.594414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.594414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.594414 (E_RNA)
where:
Base-Base interactions energy: -1232.191
where: short stacking energy: -524.923
Base-Backbone interact. energy: -4.406
local terms energy: -527.998100
where:
bonds (distance) C4'-P energy: -85.836
bonds (distance) P-C4' energy: -91.511
flat angles C4'-P-C4' energy: -116.900
flat angles P-C4'-P energy: -87.330
tors. eta vs tors. theta energy: -146.421
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: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1679.864008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.864008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.864008 (E_RNA)
where:
Base-Base interactions energy: -1187.202
where: short stacking energy: -500.593
Base-Backbone interact. energy: -0.644
local terms energy: -492.017526
where:
bonds (distance) C4'-P energy: -79.530
bonds (distance) P-C4' energy: -88.286
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -70.715
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1596.319071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.319071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.319071 (E_RNA)
where:
Base-Base interactions energy: -1124.727
where: short stacking energy: -470.760
Base-Backbone interact. energy: 3.207
local terms energy: -474.799121
where:
bonds (distance) C4'-P energy: -91.036
bonds (distance) P-C4' energy: -79.834
flat angles C4'-P-C4' energy: -100.104
flat angles P-C4'-P energy: -74.207
tors. eta vs tors. theta energy: -129.618
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: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1548.663685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.663685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.663685 (E_RNA)
where:
Base-Base interactions energy: -1090.008
where: short stacking energy: -434.425
Base-Backbone interact. energy: -0.751
local terms energy: -457.904307
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -92.283
flat angles C4'-P-C4' energy: -99.093
flat angles P-C4'-P energy: -71.593
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: 324
Temperature: 1.200000
Total energy: -1259.041560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.041560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.041560 (E_RNA)
where:
Base-Base interactions energy: -839.352
where: short stacking energy: -367.430
Base-Backbone interact. energy: -2.381
local terms energy: -417.309222
where:
bonds (distance) C4'-P energy: -85.558
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -92.420
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -95.159
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: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1217.160771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.160771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.160771 (E_RNA)
where:
Base-Base interactions energy: -825.522
where: short stacking energy: -361.612
Base-Backbone interact. energy: -2.097
local terms energy: -389.540986
where:
bonds (distance) C4'-P energy: -68.675
bonds (distance) P-C4' energy: -91.461
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -60.203
tors. eta vs tors. theta energy: -87.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -789.666643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.666643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.666643 (E_RNA)
where:
Base-Base interactions energy: -458.965
where: short stacking energy: -218.331
Base-Backbone interact. energy: -0.955
local terms energy: -329.746646
where:
bonds (distance) C4'-P energy: -71.204
bonds (distance) P-C4' energy: -88.835
flat angles C4'-P-C4' energy: -81.471
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -38.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -737.680728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.680728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.680728 (E_RNA)
where:
Base-Base interactions energy: -423.248
where: short stacking energy: -219.729
Base-Backbone interact. energy: -1.016
local terms energy: -313.417281
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -82.258
flat angles C4'-P-C4' energy: -82.066
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -30.027
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: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1817.601472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.601472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.601472 (E_RNA)
where:
Base-Base interactions energy: -1305.275
where: short stacking energy: -524.927
Base-Backbone interact. energy: 0.128
local terms energy: -512.453854
where:
bonds (distance) C4'-P energy: -98.839
bonds (distance) P-C4' energy: -98.819
flat angles C4'-P-C4' energy: -93.200
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -155.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1764.741313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.741313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.741313 (E_RNA)
where:
Base-Base interactions energy: -1247.078
where: short stacking energy: -534.816
Base-Backbone interact. energy: -0.083
local terms energy: -517.580154
where:
bonds (distance) C4'-P energy: -77.029
bonds (distance) P-C4' energy: -110.057
flat angles C4'-P-C4' energy: -110.967
flat angles P-C4'-P energy: -75.000
tors. eta vs tors. theta energy: -144.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1754.386231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.386231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.386231 (E_RNA)
where:
Base-Base interactions energy: -1251.784
where: short stacking energy: -488.828
Base-Backbone interact. energy: -0.535
local terms energy: -502.066701
where:
bonds (distance) C4'-P energy: -84.969
bonds (distance) P-C4' energy: -92.324
flat angles C4'-P-C4' energy: -112.361
flat angles P-C4'-P energy: -70.183
tors. eta vs tors. theta energy: -142.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1679.057654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.057654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.057654 (E_RNA)
where:
Base-Base interactions energy: -1179.589
where: short stacking energy: -481.439
Base-Backbone interact. energy: -2.335
local terms energy: -497.134263
where:
bonds (distance) C4'-P energy: -83.326
bonds (distance) P-C4' energy: -82.262
flat angles C4'-P-C4' energy: -111.773
flat angles P-C4'-P energy: -76.916
tors. eta vs tors. theta energy: -142.857
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: 325
Temperature: 1.100000
Total energy: -1568.517768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.517768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.517768 (E_RNA)
where:
Base-Base interactions energy: -1086.669
where: short stacking energy: -438.218
Base-Backbone interact. energy: 1.420
local terms energy: -483.268706
where:
bonds (distance) C4'-P energy: -81.587
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -115.056
flat angles P-C4'-P energy: -68.778
tors. eta vs tors. theta energy: -123.986
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1524.915295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.915295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.915295 (E_RNA)
where:
Base-Base interactions energy: -1067.180
where: short stacking energy: -407.603
Base-Backbone interact. energy: -0.628
local terms energy: -457.106937
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -81.450
flat angles C4'-P-C4' energy: -98.813
flat angles P-C4'-P energy: -59.032
tors. eta vs tors. theta energy: -125.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1308.822800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.822800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.822800 (E_RNA)
where:
Base-Base interactions energy: -903.186
where: short stacking energy: -376.390
Base-Backbone interact. energy: 4.942
local terms energy: -410.578753
where:
bonds (distance) C4'-P energy: -79.708
bonds (distance) P-C4' energy: -90.990
flat angles C4'-P-C4' energy: -90.463
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -104.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1231.571542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.571542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.571542 (E_RNA)
where:
Base-Base interactions energy: -839.511
where: short stacking energy: -377.819
Base-Backbone interact. energy: -1.506
local terms energy: -390.554214
where:
bonds (distance) C4'-P energy: -74.048
bonds (distance) P-C4' energy: -67.620
flat angles C4'-P-C4' energy: -99.568
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -92.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -912.817164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.817164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.817164 (E_RNA)
where:
Base-Base interactions energy: -597.858
where: short stacking energy: -257.773
Base-Backbone interact. energy: 1.862
local terms energy: -316.820930
where:
bonds (distance) C4'-P energy: -63.656
bonds (distance) P-C4' energy: -69.031
flat angles C4'-P-C4' energy: -83.178
flat angles P-C4'-P energy: -51.448
tors. eta vs tors. theta energy: -49.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -758.243091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.243091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.243091 (E_RNA)
where:
Base-Base interactions energy: -485.871
where: short stacking energy: -216.431
Base-Backbone interact. energy: -1.785
local terms energy: -270.587225
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -55.422
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1850.512196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.512196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.512196 (E_RNA)
where:
Base-Base interactions energy: -1279.392
where: short stacking energy: -538.502
Base-Backbone interact. energy: 1.181
local terms energy: -572.301290
where:
bonds (distance) C4'-P energy: -105.337
bonds (distance) P-C4' energy: -110.252
flat angles C4'-P-C4' energy: -116.451
flat angles P-C4'-P energy: -80.026
tors. eta vs tors. theta energy: -160.235
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: 326
Temperature: 0.950000
Total energy: -1800.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.604516 (E_RNA)
where:
Base-Base interactions energy: -1264.377
where: short stacking energy: -518.625
Base-Backbone interact. energy: -3.116
local terms energy: -533.111683
where:
bonds (distance) C4'-P energy: -95.571
bonds (distance) P-C4' energy: -92.138
flat angles C4'-P-C4' energy: -118.032
flat angles P-C4'-P energy: -73.928
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1729.646723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.646723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.646723 (E_RNA)
where:
Base-Base interactions energy: -1214.826
where: short stacking energy: -498.003
Base-Backbone interact. energy: -2.312
local terms energy: -512.508052
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -101.939
flat angles C4'-P-C4' energy: -106.516
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -144.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1674.285317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.285317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.285317 (E_RNA)
where:
Base-Base interactions energy: -1185.860
where: short stacking energy: -492.941
Base-Backbone interact. energy: -0.295
local terms energy: -488.130221
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -87.098
flat angles C4'-P-C4' energy: -110.056
flat angles P-C4'-P energy: -62.689
tors. eta vs tors. theta energy: -142.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1597.103431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.103431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.103431 (E_RNA)
where:
Base-Base interactions energy: -1101.907
where: short stacking energy: -441.797
Base-Backbone interact. energy: -2.858
local terms energy: -492.338620
where:
bonds (distance) C4'-P energy: -85.948
bonds (distance) P-C4' energy: -90.676
flat angles C4'-P-C4' energy: -108.623
flat angles P-C4'-P energy: -80.520
tors. eta vs tors. theta energy: -126.571
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: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1542.420376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.420376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.420376 (E_RNA)
where:
Base-Base interactions energy: -1070.890
where: short stacking energy: -443.143
Base-Backbone interact. energy: -2.177
local terms energy: -469.353495
where:
bonds (distance) C4'-P energy: -89.103
bonds (distance) P-C4' energy: -92.510
flat angles C4'-P-C4' energy: -99.095
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -133.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1299.315711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.315711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.315711 (E_RNA)
where:
Base-Base interactions energy: -886.652
where: short stacking energy: -392.562
Base-Backbone interact. energy: 2.506
local terms energy: -415.170087
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -85.094
flat angles C4'-P-C4' energy: -93.301
flat angles P-C4'-P energy: -54.428
tors. eta vs tors. theta energy: -107.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1153.041493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.041493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.041493 (E_RNA)
where:
Base-Base interactions energy: -764.864
where: short stacking energy: -318.167
Base-Backbone interact. energy: -0.728
local terms energy: -387.449846
where:
bonds (distance) C4'-P energy: -73.262
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -75.654
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -80.670
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: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -908.927307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.927307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.927307 (E_RNA)
where:
Base-Base interactions energy: -586.589
where: short stacking energy: -292.223
Base-Backbone interact. energy: 3.607
local terms energy: -325.945316
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -71.317
flat angles C4'-P-C4' energy: -83.779
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -60.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -744.007690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.007690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.007690 (E_RNA)
where:
Base-Base interactions energy: -462.730
where: short stacking energy: -205.673
Base-Backbone interact. energy: -0.079
local terms energy: -281.199448
where:
bonds (distance) C4'-P energy: -62.436
bonds (distance) P-C4' energy: -84.328
flat angles C4'-P-C4' energy: -77.619
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1848.357403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.357403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.357403 (E_RNA)
where:
Base-Base interactions energy: -1287.906
where: short stacking energy: -538.274
Base-Backbone interact. energy: -1.032
local terms energy: -559.419188
where:
bonds (distance) C4'-P energy: -104.764
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -112.720
flat angles P-C4'-P energy: -85.323
tors. eta vs tors. theta energy: -156.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1812.266896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.266896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.266896 (E_RNA)
where:
Base-Base interactions energy: -1264.229
where: short stacking energy: -499.698
Base-Backbone interact. energy: -3.849
local terms energy: -544.188103
where:
bonds (distance) C4'-P energy: -90.294
bonds (distance) P-C4' energy: -105.907
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -82.917
tors. eta vs tors. theta energy: -146.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1746.113156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.113156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.113156 (E_RNA)
where:
Base-Base interactions energy: -1241.425
where: short stacking energy: -505.502
Base-Backbone interact. energy: -1.124
local terms energy: -503.564031
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -116.322
flat angles P-C4'-P energy: -78.579
tors. eta vs tors. theta energy: -143.984
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: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1674.155864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.155864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.155864 (E_RNA)
where:
Base-Base interactions energy: -1181.026
where: short stacking energy: -487.452
Base-Backbone interact. energy: -0.393
local terms energy: -492.736949
where:
bonds (distance) C4'-P energy: -93.212
bonds (distance) P-C4' energy: -83.527
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -143.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1591.840164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.840164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.840164 (E_RNA)
where:
Base-Base interactions energy: -1126.420
where: short stacking energy: -460.314
Base-Backbone interact. energy: -0.889
local terms energy: -464.530969
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -82.619
flat angles C4'-P-C4' energy: -103.136
flat angles P-C4'-P energy: -68.747
tors. eta vs tors. theta energy: -124.468
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: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1546.050403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.050403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.050403 (E_RNA)
where:
Base-Base interactions energy: -1122.581
where: short stacking energy: -447.114
Base-Backbone interact. energy: 2.262
local terms energy: -425.731402
where:
bonds (distance) C4'-P energy: -74.641
bonds (distance) P-C4' energy: -83.362
flat angles C4'-P-C4' energy: -99.761
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -116.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1351.802843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.802843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.802843 (E_RNA)
where:
Base-Base interactions energy: -901.315
where: short stacking energy: -405.071
Base-Backbone interact. energy: -0.794
local terms energy: -449.694091
where:
bonds (distance) C4'-P energy: -77.629
bonds (distance) P-C4' energy: -101.931
flat angles C4'-P-C4' energy: -96.246
flat angles P-C4'-P energy: -68.125
tors. eta vs tors. theta energy: -105.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1141.763022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.763022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.763022 (E_RNA)
where:
Base-Base interactions energy: -742.678
where: short stacking energy: -339.395
Base-Backbone interact. energy: 1.088
local terms energy: -400.173348
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -89.532
flat angles C4'-P-C4' energy: -93.684
flat angles P-C4'-P energy: -52.203
tors. eta vs tors. theta energy: -83.668
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: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -890.126194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.126194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.126194 (E_RNA)
where:
Base-Base interactions energy: -552.495
where: short stacking energy: -250.742
Base-Backbone interact. energy: -2.032
local terms energy: -335.599053
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -76.250
flat angles C4'-P-C4' energy: -80.324
flat angles P-C4'-P energy: -55.638
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -729.413467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.413467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.413467 (E_RNA)
where:
Base-Base interactions energy: -415.727
where: short stacking energy: -196.021
Base-Backbone interact. energy: -0.862
local terms energy: -312.824928
where:
bonds (distance) C4'-P energy: -78.365
bonds (distance) P-C4' energy: -88.413
flat angles C4'-P-C4' energy: -81.101
flat angles P-C4'-P energy: -50.787
tors. eta vs tors. theta energy: -14.159
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1857.817277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.817277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.817277 (E_RNA)
where:
Base-Base interactions energy: -1306.666
where: short stacking energy: -553.483
Base-Backbone interact. energy: -1.887
local terms energy: -549.264256
where:
bonds (distance) C4'-P energy: -88.216
bonds (distance) P-C4' energy: -103.732
flat angles C4'-P-C4' energy: -116.430
flat angles P-C4'-P energy: -84.840
tors. eta vs tors. theta energy: -156.047
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: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1810.506759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.506759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.506759 (E_RNA)
where:
Base-Base interactions energy: -1281.118
where: short stacking energy: -506.287
Base-Backbone interact. energy: -3.185
local terms energy: -526.203795
where:
bonds (distance) C4'-P energy: -91.489
bonds (distance) P-C4' energy: -100.544
flat angles C4'-P-C4' energy: -105.419
flat angles P-C4'-P energy: -77.277
tors. eta vs tors. theta energy: -151.475
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: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1744.748570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.748570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.748570 (E_RNA)
where:
Base-Base interactions energy: -1239.305
where: short stacking energy: -498.640
Base-Backbone interact. energy: -1.838
local terms energy: -503.605651
where:
bonds (distance) C4'-P energy: -86.322
bonds (distance) P-C4' energy: -101.705
flat angles C4'-P-C4' energy: -99.423
flat angles P-C4'-P energy: -73.414
tors. eta vs tors. theta energy: -142.742
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: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1691.104209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.104209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.104209 (E_RNA)
where:
Base-Base interactions energy: -1176.861
where: short stacking energy: -491.496
Base-Backbone interact. energy: -0.897
local terms energy: -513.346472
where:
bonds (distance) C4'-P energy: -85.680
bonds (distance) P-C4' energy: -105.750
flat angles C4'-P-C4' energy: -109.242
flat angles P-C4'-P energy: -70.470
tors. eta vs tors. theta energy: -142.204
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: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1609.228791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.228791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.228791 (E_RNA)
where:
Base-Base interactions energy: -1121.069
where: short stacking energy: -448.160
Base-Backbone interact. energy: 1.104
local terms energy: -489.263616
where:
bonds (distance) C4'-P energy: -94.584
bonds (distance) P-C4' energy: -96.515
flat angles C4'-P-C4' energy: -111.075
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -115.879
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: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1583.589760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.589760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.589760 (E_RNA)
where:
Base-Base interactions energy: -1100.739
where: short stacking energy: -426.081
Base-Backbone interact. energy: -2.628
local terms energy: -480.223259
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -102.191
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -124.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1387.823451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.823451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.823451 (E_RNA)
where:
Base-Base interactions energy: -930.728
where: short stacking energy: -419.594
Base-Backbone interact. energy: -0.706
local terms energy: -456.389231
where:
bonds (distance) C4'-P energy: -77.068
bonds (distance) P-C4' energy: -102.945
flat angles C4'-P-C4' energy: -100.157
flat angles P-C4'-P energy: -62.523
tors. eta vs tors. theta energy: -113.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1138.075740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.075740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.075740 (E_RNA)
where:
Base-Base interactions energy: -757.951
where: short stacking energy: -322.517
Base-Backbone interact. energy: -2.748
local terms energy: -377.376791
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -83.460
flat angles C4'-P-C4' energy: -90.676
flat angles P-C4'-P energy: -50.226
tors. eta vs tors. theta energy: -79.409
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: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -910.702065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.702065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.702065 (E_RNA)
where:
Base-Base interactions energy: -601.093
where: short stacking energy: -268.793
Base-Backbone interact. energy: 0.480
local terms energy: -310.088646
where:
bonds (distance) C4'-P energy: -82.759
bonds (distance) P-C4' energy: -66.833
flat angles C4'-P-C4' energy: -78.862
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -47.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -746.017538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.017538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.017538 (E_RNA)
where:
Base-Base interactions energy: -462.053
where: short stacking energy: -226.722
Base-Backbone interact. energy: 0.859
local terms energy: -284.823961
where:
bonds (distance) C4'-P energy: -79.584
bonds (distance) P-C4' energy: -81.588
flat angles C4'-P-C4' energy: -78.287
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1859.546887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.546887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.546887 (E_RNA)
where:
Base-Base interactions energy: -1312.147
where: short stacking energy: -541.474
Base-Backbone interact. energy: -0.816
local terms energy: -546.584236
where:
bonds (distance) C4'-P energy: -101.756
bonds (distance) P-C4' energy: -89.306
flat angles C4'-P-C4' energy: -113.303
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -160.700
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: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1785.709748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.709748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.709748 (E_RNA)
where:
Base-Base interactions energy: -1255.150
where: short stacking energy: -501.724
Base-Backbone interact. energy: -2.495
local terms energy: -528.064032
where:
bonds (distance) C4'-P energy: -92.710
bonds (distance) P-C4' energy: -104.525
flat angles C4'-P-C4' energy: -111.218
flat angles P-C4'-P energy: -73.295
tors. eta vs tors. theta energy: -146.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1727.322780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.322780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.322780 (E_RNA)
where:
Base-Base interactions energy: -1228.424
where: short stacking energy: -486.176
Base-Backbone interact. energy: -0.565
local terms energy: -498.333839
where:
bonds (distance) C4'-P energy: -91.744
bonds (distance) P-C4' energy: -88.335
flat angles C4'-P-C4' energy: -106.459
flat angles P-C4'-P energy: -75.291
tors. eta vs tors. theta energy: -136.505
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1675.319520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.319520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.319520 (E_RNA)
where:
Base-Base interactions energy: -1167.386
where: short stacking energy: -491.536
Base-Backbone interact. energy: -0.371
local terms energy: -507.563251
where:
bonds (distance) C4'-P energy: -94.175
bonds (distance) P-C4' energy: -93.753
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -69.941
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: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1609.813319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.813319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.813319 (E_RNA)
where:
Base-Base interactions energy: -1110.899
where: short stacking energy: -448.704
Base-Backbone interact. energy: -1.317
local terms energy: -497.597201
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -88.568
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -67.403
tors. eta vs tors. theta energy: -131.228
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1579.349259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.349259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.349259 (E_RNA)
where:
Base-Base interactions energy: -1152.816
where: short stacking energy: -470.599
Base-Backbone interact. energy: -1.844
local terms energy: -424.689151
where:
bonds (distance) C4'-P energy: -64.816
bonds (distance) P-C4' energy: -85.055
flat angles C4'-P-C4' energy: -84.783
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -133.764
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: 329
Temperature: 1.200000
Total energy: -1405.171262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.171262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.171262 (E_RNA)
where:
Base-Base interactions energy: -972.662
where: short stacking energy: -416.850
Base-Backbone interact. energy: -0.967
local terms energy: -431.542332
where:
bonds (distance) C4'-P energy: -89.330
bonds (distance) P-C4' energy: -74.607
flat angles C4'-P-C4' energy: -89.031
flat angles P-C4'-P energy: -63.909
tors. eta vs tors. theta energy: -114.666
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1184.842641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.842641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.842641 (E_RNA)
where:
Base-Base interactions energy: -815.382
where: short stacking energy: -343.546
Base-Backbone interact. energy: 1.825
local terms energy: -371.285686
where:
bonds (distance) C4'-P energy: -73.946
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -84.536
flat angles P-C4'-P energy: -65.938
tors. eta vs tors. theta energy: -77.570
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: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -898.123055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.123055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.123055 (E_RNA)
where:
Base-Base interactions energy: -558.340
where: short stacking energy: -255.328
Base-Backbone interact. energy: -1.545
local terms energy: -338.237206
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -93.113
flat angles P-C4'-P energy: -61.900
tors. eta vs tors. theta energy: -38.049
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: 329
Temperature: 1.350000
Total energy: -808.975445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.975445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.975445 (E_RNA)
where:
Base-Base interactions energy: -498.160
where: short stacking energy: -230.630
Base-Backbone interact. energy: 3.193
local terms energy: -314.008087
where:
bonds (distance) C4'-P energy: -72.330
bonds (distance) P-C4' energy: -82.341
flat angles C4'-P-C4' energy: -78.406
flat angles P-C4'-P energy: -48.021
tors. eta vs tors. theta energy: -32.910
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1857.881059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.881059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.881059 (E_RNA)
where:
Base-Base interactions energy: -1294.530
where: short stacking energy: -556.413
Base-Backbone interact. energy: -0.503
local terms energy: -562.847823
where:
bonds (distance) C4'-P energy: -94.959
bonds (distance) P-C4' energy: -101.743
flat angles C4'-P-C4' energy: -121.599
flat angles P-C4'-P energy: -83.241
tors. eta vs tors. theta energy: -161.307
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: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1770.873396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.873396 (E_RNA)
where:
Base-Base interactions energy: -1249.636
where: short stacking energy: -493.630
Base-Backbone interact. energy: -2.958
local terms energy: -518.279928
where:
bonds (distance) C4'-P energy: -84.199
bonds (distance) P-C4' energy: -100.617
flat angles C4'-P-C4' energy: -110.183
flat angles P-C4'-P energy: -83.061
tors. eta vs tors. theta energy: -140.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1754.291255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.291255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.291255 (E_RNA)
where:
Base-Base interactions energy: -1236.004
where: short stacking energy: -512.477
Base-Backbone interact. energy: -5.909
local terms energy: -512.378358
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -91.420
flat angles C4'-P-C4' energy: -112.366
flat angles P-C4'-P energy: -80.348
tors. eta vs tors. theta energy: -148.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1668.489701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.489701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.489701 (E_RNA)
where:
Base-Base interactions energy: -1178.539
where: short stacking energy: -506.768
Base-Backbone interact. energy: 0.621
local terms energy: -490.571786
where:
bonds (distance) C4'-P energy: -88.723
bonds (distance) P-C4' energy: -91.286
flat angles C4'-P-C4' energy: -102.699
flat angles P-C4'-P energy: -65.606
tors. eta vs tors. theta energy: -142.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1599.006113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.006113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.006113 (E_RNA)
where:
Base-Base interactions energy: -1134.507
where: short stacking energy: -467.766
Base-Backbone interact. energy: -1.973
local terms energy: -462.525774
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -89.663
flat angles C4'-P-C4' energy: -104.998
flat angles P-C4'-P energy: -63.054
tors. eta vs tors. theta energy: -122.713
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1563.294802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.294802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.294802 (E_RNA)
where:
Base-Base interactions energy: -1085.762
where: short stacking energy: -437.587
Base-Backbone interact. energy: -2.989
local terms energy: -474.544107
where:
bonds (distance) C4'-P energy: -79.094
bonds (distance) P-C4' energy: -102.674
flat angles C4'-P-C4' energy: -103.148
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -120.234
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1373.087751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.087751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.087751 (E_RNA)
where:
Base-Base interactions energy: -943.686
where: short stacking energy: -393.484
Base-Backbone interact. energy: -0.255
local terms energy: -429.146002
where:
bonds (distance) C4'-P energy: -75.474
bonds (distance) P-C4' energy: -96.237
flat angles C4'-P-C4' energy: -92.696
flat angles P-C4'-P energy: -63.728
tors. eta vs tors. theta energy: -101.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1220.646335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.646335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.646335 (E_RNA)
where:
Base-Base interactions energy: -828.278
where: short stacking energy: -357.676
Base-Backbone interact. energy: 3.047
local terms energy: -395.415496
where:
bonds (distance) C4'-P energy: -71.753
bonds (distance) P-C4' energy: -72.429
flat angles C4'-P-C4' energy: -97.291
flat angles P-C4'-P energy: -63.859
tors. eta vs tors. theta energy: -90.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -861.375347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.375347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.375347 (E_RNA)
where:
Base-Base interactions energy: -540.486
where: short stacking energy: -260.619
Base-Backbone interact. energy: -0.266
local terms energy: -320.623468
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -86.266
flat angles C4'-P-C4' energy: -73.296
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -916.964187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.964187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.964187 (E_RNA)
where:
Base-Base interactions energy: -572.608
where: short stacking energy: -257.593
Base-Backbone interact. energy: -1.091
local terms energy: -343.265755
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -83.798
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -49.703
tors. eta vs tors. theta energy: -46.810
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: 331
Temperature: 0.900000
Total energy: -1829.014838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.014838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.014838 (E_RNA)
where:
Base-Base interactions energy: -1290.490
where: short stacking energy: -546.344
Base-Backbone interact. energy: -2.457
local terms energy: -536.067977
where:
bonds (distance) C4'-P energy: -96.576
bonds (distance) P-C4' energy: -84.143
flat angles C4'-P-C4' energy: -115.677
flat angles P-C4'-P energy: -75.974
tors. eta vs tors. theta energy: -163.699
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: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1795.723661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.723661 (E_RNA)
where:
Base-Base interactions energy: -1257.645
where: short stacking energy: -522.175
Base-Backbone interact. energy: -4.851
local terms energy: -533.227593
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -95.818
flat angles C4'-P-C4' energy: -104.868
flat angles P-C4'-P energy: -87.978
tors. eta vs tors. theta energy: -150.967
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1754.979261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.979261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.979261 (E_RNA)
where:
Base-Base interactions energy: -1253.776
where: short stacking energy: -505.576
Base-Backbone interact. energy: -2.375
local terms energy: -498.828017
where:
bonds (distance) C4'-P energy: -87.996
bonds (distance) P-C4' energy: -96.580
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -62.372
tors. eta vs tors. theta energy: -141.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1671.182012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.182012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.182012 (E_RNA)
where:
Base-Base interactions energy: -1184.664
where: short stacking energy: -505.255
Base-Backbone interact. energy: -3.423
local terms energy: -483.095405
where:
bonds (distance) C4'-P energy: -82.853
bonds (distance) P-C4' energy: -84.824
flat angles C4'-P-C4' energy: -112.162
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -138.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1594.314165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.314165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.314165 (E_RNA)
where:
Base-Base interactions energy: -1153.350
where: short stacking energy: -471.914
Base-Backbone interact. energy: -0.110
local terms energy: -440.853688
where:
bonds (distance) C4'-P energy: -77.093
bonds (distance) P-C4' energy: -67.954
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -69.043
tors. eta vs tors. theta energy: -131.764
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: 331
Temperature: 1.150000
Total energy: -1583.846327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.846327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.846327 (E_RNA)
where:
Base-Base interactions energy: -1120.170
where: short stacking energy: -466.063
Base-Backbone interact. energy: -1.733
local terms energy: -461.943870
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -83.993
flat angles C4'-P-C4' energy: -105.045
flat angles P-C4'-P energy: -68.976
tors. eta vs tors. theta energy: -121.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1420.775453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.775453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.775453 (E_RNA)
where:
Base-Base interactions energy: -993.735
where: short stacking energy: -406.343
Base-Backbone interact. energy: -4.465
local terms energy: -422.575236
where:
bonds (distance) C4'-P energy: -73.421
bonds (distance) P-C4' energy: -80.518
flat angles C4'-P-C4' energy: -93.977
flat angles P-C4'-P energy: -59.240
tors. eta vs tors. theta energy: -115.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1169.025470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.025470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.025470 (E_RNA)
where:
Base-Base interactions energy: -812.371
where: short stacking energy: -340.143
Base-Backbone interact. energy: -1.679
local terms energy: -354.975147
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -82.132
flat angles C4'-P-C4' energy: -83.943
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -88.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -867.425152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.425152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.425152 (E_RNA)
where:
Base-Base interactions energy: -548.621
where: short stacking energy: -259.176
Base-Backbone interact. energy: -2.868
local terms energy: -315.936401
where:
bonds (distance) C4'-P energy: -78.003
bonds (distance) P-C4' energy: -66.426
flat angles C4'-P-C4' energy: -86.313
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -37.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -906.478795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.478795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.478795 (E_RNA)
where:
Base-Base interactions energy: -590.441
where: short stacking energy: -285.152
Base-Backbone interact. energy: -2.774
local terms energy: -313.263221
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -76.944
flat angles C4'-P-C4' energy: -76.857
flat angles P-C4'-P energy: -51.217
tors. eta vs tors. theta energy: -44.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1835.011765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.011765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.011765 (E_RNA)
where:
Base-Base interactions energy: -1268.985
where: short stacking energy: -536.770
Base-Backbone interact. energy: -1.543
local terms energy: -564.484289
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -101.009
flat angles C4'-P-C4' energy: -116.942
flat angles P-C4'-P energy: -83.532
tors. eta vs tors. theta energy: -158.502
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: 332
Temperature: 0.950000
Total energy: -1807.080823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.080823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.080823 (E_RNA)
where:
Base-Base interactions energy: -1263.989
where: short stacking energy: -523.831
Base-Backbone interact. energy: -3.367
local terms energy: -539.724767
where:
bonds (distance) C4'-P energy: -90.009
bonds (distance) P-C4' energy: -111.811
flat angles C4'-P-C4' energy: -105.067
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -153.530
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: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1723.539994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.539994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.539994 (E_RNA)
where:
Base-Base interactions energy: -1221.726
where: short stacking energy: -495.423
Base-Backbone interact. energy: -2.083
local terms energy: -499.731053
where:
bonds (distance) C4'-P energy: -84.934
bonds (distance) P-C4' energy: -82.947
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -79.461
tors. eta vs tors. theta energy: -140.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1720.291974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.291974 (E_RNA)
where:
Base-Base interactions energy: -1231.651
where: short stacking energy: -504.581
Base-Backbone interact. energy: 0.774
local terms energy: -489.415432
where:
bonds (distance) C4'-P energy: -84.220
bonds (distance) P-C4' energy: -86.476
flat angles C4'-P-C4' energy: -106.140
flat angles P-C4'-P energy: -69.976
tors. eta vs tors. theta energy: -142.604
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: 332
Temperature: 1.100000
Total energy: -1640.776308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.776308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.776308 (E_RNA)
where:
Base-Base interactions energy: -1146.892
where: short stacking energy: -487.739
Base-Backbone interact. energy: -1.522
local terms energy: -492.362065
where:
bonds (distance) C4'-P energy: -84.166
bonds (distance) P-C4' energy: -89.172
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -70.434
tors. eta vs tors. theta energy: -141.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1554.470111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.470111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.470111 (E_RNA)
where:
Base-Base interactions energy: -1105.521
where: short stacking energy: -449.503
Base-Backbone interact. energy: -0.594
local terms energy: -448.355750
where:
bonds (distance) C4'-P energy: -73.382
bonds (distance) P-C4' energy: -90.414
flat angles C4'-P-C4' energy: -97.764
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -127.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1430.409718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.409718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.409718 (E_RNA)
where:
Base-Base interactions energy: -994.371
where: short stacking energy: -396.311
Base-Backbone interact. energy: 3.501
local terms energy: -439.540361
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -83.245
flat angles C4'-P-C4' energy: -101.402
flat angles P-C4'-P energy: -65.132
tors. eta vs tors. theta energy: -104.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1167.194670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.194670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.194670 (E_RNA)
where:
Base-Base interactions energy: -785.689
where: short stacking energy: -329.262
Base-Backbone interact. energy: 0.350
local terms energy: -381.855541
where:
bonds (distance) C4'-P energy: -77.896
bonds (distance) P-C4' energy: -68.584
flat angles C4'-P-C4' energy: -82.713
flat angles P-C4'-P energy: -55.738
tors. eta vs tors. theta energy: -96.925
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: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -892.633887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.633887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.633887 (E_RNA)
where:
Base-Base interactions energy: -565.636
where: short stacking energy: -280.530
Base-Backbone interact. energy: 0.792
local terms energy: -327.789154
where:
bonds (distance) C4'-P energy: -67.102
bonds (distance) P-C4' energy: -71.957
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: -54.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -776.361432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.361432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.361432 (E_RNA)
where:
Base-Base interactions energy: -485.390
where: short stacking energy: -221.641
Base-Backbone interact. energy: 0.527
local terms energy: -291.498702
where:
bonds (distance) C4'-P energy: -65.213
bonds (distance) P-C4' energy: -73.553
flat angles C4'-P-C4' energy: -72.283
flat angles P-C4'-P energy: -44.746
tors. eta vs tors. theta energy: -35.703
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: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1851.216666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.216666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.216666 (E_RNA)
where:
Base-Base interactions energy: -1302.923
where: short stacking energy: -552.792
Base-Backbone interact. energy: -2.299
local terms energy: -545.995476
where:
bonds (distance) C4'-P energy: -86.118
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -114.796
flat angles P-C4'-P energy: -77.648
tors. eta vs tors. theta energy: -170.051
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: 333
Temperature: 0.950000
Total energy: -1809.070411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.070411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.070411 (E_RNA)
where:
Base-Base interactions energy: -1283.828
where: short stacking energy: -522.064
Base-Backbone interact. energy: -3.386
local terms energy: -521.856291
where:
bonds (distance) C4'-P energy: -85.207
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -114.443
flat angles P-C4'-P energy: -69.277
tors. eta vs tors. theta energy: -152.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1721.729008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.729008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.729008 (E_RNA)
where:
Base-Base interactions energy: -1212.700
where: short stacking energy: -506.994
Base-Backbone interact. energy: -1.178
local terms energy: -507.850568
where:
bonds (distance) C4'-P energy: -92.289
bonds (distance) P-C4' energy: -94.163
flat angles C4'-P-C4' energy: -110.143
flat angles P-C4'-P energy: -61.984
tors. eta vs tors. theta energy: -149.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1696.574936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.574936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.574936 (E_RNA)
where:
Base-Base interactions energy: -1180.969
where: short stacking energy: -496.684
Base-Backbone interact. energy: -2.631
local terms energy: -512.975277
where:
bonds (distance) C4'-P energy: -80.449
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -110.390
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -143.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1605.090740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.090740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.090740 (E_RNA)
where:
Base-Base interactions energy: -1140.655
where: short stacking energy: -483.742
Base-Backbone interact. energy: 0.191
local terms energy: -464.626523
where:
bonds (distance) C4'-P energy: -88.118
bonds (distance) P-C4' energy: -89.833
flat angles C4'-P-C4' energy: -91.608
flat angles P-C4'-P energy: -55.780
tors. eta vs tors. theta energy: -139.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1555.347956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.347956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.347956 (E_RNA)
where:
Base-Base interactions energy: -1098.614
where: short stacking energy: -454.358
Base-Backbone interact. energy: -0.629
local terms energy: -456.105695
where:
bonds (distance) C4'-P energy: -67.622
bonds (distance) P-C4' energy: -89.705
flat angles C4'-P-C4' energy: -106.138
flat angles P-C4'-P energy: -68.142
tors. eta vs tors. theta energy: -124.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1368.318195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.318195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.318195 (E_RNA)
where:
Base-Base interactions energy: -958.112
where: short stacking energy: -412.630
Base-Backbone interact. energy: 0.272
local terms energy: -410.478395
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -74.173
flat angles C4'-P-C4' energy: -105.738
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -119.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1212.481846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.481846 (E_RNA)
where:
Base-Base interactions energy: -795.689
where: short stacking energy: -347.422
Base-Backbone interact. energy: 1.406
local terms energy: -418.198835
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -93.834
flat angles C4'-P-C4' energy: -99.382
flat angles P-C4'-P energy: -57.052
tors. eta vs tors. theta energy: -83.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -839.312312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.312312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.312312 (E_RNA)
where:
Base-Base interactions energy: -508.361
where: short stacking energy: -223.058
Base-Backbone interact. energy: -0.419
local terms energy: -330.532592
where:
bonds (distance) C4'-P energy: -90.857
bonds (distance) P-C4' energy: -69.092
flat angles C4'-P-C4' energy: -79.685
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -34.840
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -768.093042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.093042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.093042 (E_RNA)
where:
Base-Base interactions energy: -449.776
where: short stacking energy: -207.864
Base-Backbone interact. energy: 7.562
local terms energy: -325.878577
where:
bonds (distance) C4'-P energy: -77.347
bonds (distance) P-C4' energy: -74.416
flat angles C4'-P-C4' energy: -87.103
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -31.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1846.675567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.675567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.675567 (E_RNA)
where:
Base-Base interactions energy: -1301.081
where: short stacking energy: -530.386
Base-Backbone interact. energy: -2.326
local terms energy: -543.268879
where:
bonds (distance) C4'-P energy: -94.744
bonds (distance) P-C4' energy: -103.025
flat angles C4'-P-C4' energy: -116.007
flat angles P-C4'-P energy: -69.364
tors. eta vs tors. theta energy: -160.129
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: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1812.341231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.341231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.341231 (E_RNA)
where:
Base-Base interactions energy: -1294.854
where: short stacking energy: -543.204
Base-Backbone interact. energy: -2.135
local terms energy: -515.351561
where:
bonds (distance) C4'-P energy: -78.148
bonds (distance) P-C4' energy: -94.372
flat angles C4'-P-C4' energy: -109.225
flat angles P-C4'-P energy: -82.750
tors. eta vs tors. theta energy: -150.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1748.118063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.118063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.118063 (E_RNA)
where:
Base-Base interactions energy: -1237.023
where: short stacking energy: -497.101
Base-Backbone interact. energy: -1.335
local terms energy: -509.760340
where:
bonds (distance) C4'-P energy: -87.575
bonds (distance) P-C4' energy: -89.610
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -76.964
tors. eta vs tors. theta energy: -145.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1675.902424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.902424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.902424 (E_RNA)
where:
Base-Base interactions energy: -1173.452
where: short stacking energy: -491.043
Base-Backbone interact. energy: -1.087
local terms energy: -501.363038
where:
bonds (distance) C4'-P energy: -83.844
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -104.135
flat angles P-C4'-P energy: -75.468
tors. eta vs tors. theta energy: -134.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1637.857540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.857540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.857540 (E_RNA)
where:
Base-Base interactions energy: -1172.431
where: short stacking energy: -486.754
Base-Backbone interact. energy: -3.820
local terms energy: -461.606452
where:
bonds (distance) C4'-P energy: -87.829
bonds (distance) P-C4' energy: -89.290
flat angles C4'-P-C4' energy: -94.386
flat angles P-C4'-P energy: -53.597
tors. eta vs tors. theta energy: -136.505
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: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1565.242074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.242074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.242074 (E_RNA)
where:
Base-Base interactions energy: -1094.067
where: short stacking energy: -462.355
Base-Backbone interact. energy: -1.448
local terms energy: -469.727179
where:
bonds (distance) C4'-P energy: -78.453
bonds (distance) P-C4' energy: -92.532
flat angles C4'-P-C4' energy: -102.044
flat angles P-C4'-P energy: -66.977
tors. eta vs tors. theta energy: -129.721
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1396.664135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.664135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.664135 (E_RNA)
where:
Base-Base interactions energy: -971.393
where: short stacking energy: -403.063
Base-Backbone interact. energy: -1.220
local terms energy: -424.050605
where:
bonds (distance) C4'-P energy: -79.560
bonds (distance) P-C4' energy: -82.923
flat angles C4'-P-C4' energy: -101.254
flat angles P-C4'-P energy: -57.826
tors. eta vs tors. theta energy: -102.487
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: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1194.373807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.373807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.373807 (E_RNA)
where:
Base-Base interactions energy: -821.385
where: short stacking energy: -327.061
Base-Backbone interact. energy: 1.210
local terms energy: -374.198983
where:
bonds (distance) C4'-P energy: -80.443
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -82.074
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: -82.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -792.519981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.519981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.519981 (E_RNA)
where:
Base-Base interactions energy: -496.493
where: short stacking energy: -245.517
Base-Backbone interact. energy: -1.989
local terms energy: -294.038174
where:
bonds (distance) C4'-P energy: -75.609
bonds (distance) P-C4' energy: -91.846
flat angles C4'-P-C4' energy: -63.690
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -28.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -755.949405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.949405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.949405 (E_RNA)
where:
Base-Base interactions energy: -445.389
where: short stacking energy: -196.935
Base-Backbone interact. energy: -0.666
local terms energy: -309.894757
where:
bonds (distance) C4'-P energy: -80.354
bonds (distance) P-C4' energy: -86.797
flat angles C4'-P-C4' energy: -77.491
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1861.000976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.000976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.000976 (E_RNA)
where:
Base-Base interactions energy: -1299.652
where: short stacking energy: -544.536
Base-Backbone interact. energy: -2.213
local terms energy: -559.135602
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -104.147
flat angles C4'-P-C4' energy: -106.970
flat angles P-C4'-P energy: -88.082
tors. eta vs tors. theta energy: -156.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1816.996736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.996736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.996736 (E_RNA)
where:
Base-Base interactions energy: -1271.971
where: short stacking energy: -530.099
Base-Backbone interact. energy: 1.222
local terms energy: -546.247664
where:
bonds (distance) C4'-P energy: -98.004
bonds (distance) P-C4' energy: -97.913
flat angles C4'-P-C4' energy: -115.432
flat angles P-C4'-P energy: -76.976
tors. eta vs tors. theta energy: -157.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1752.680614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.680614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.680614 (E_RNA)
where:
Base-Base interactions energy: -1237.845
where: short stacking energy: -481.617
Base-Backbone interact. energy: 0.728
local terms energy: -515.563462
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -95.857
flat angles C4'-P-C4' energy: -113.639
flat angles P-C4'-P energy: -71.171
tors. eta vs tors. theta energy: -136.721
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: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1666.424799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.424799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.424799 (E_RNA)
where:
Base-Base interactions energy: -1185.619
where: short stacking energy: -473.473
Base-Backbone interact. energy: 4.904
local terms energy: -485.709885
where:
bonds (distance) C4'-P energy: -83.076
bonds (distance) P-C4' energy: -96.925
flat angles C4'-P-C4' energy: -108.237
flat angles P-C4'-P energy: -68.229
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: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1613.604165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.604165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.604165 (E_RNA)
where:
Base-Base interactions energy: -1147.505
where: short stacking energy: -477.043
Base-Backbone interact. energy: -2.086
local terms energy: -464.014065
where:
bonds (distance) C4'-P energy: -73.424
bonds (distance) P-C4' energy: -75.603
flat angles C4'-P-C4' energy: -95.524
flat angles P-C4'-P energy: -73.967
tors. eta vs tors. theta energy: -145.496
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: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1570.350094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.350094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.350094 (E_RNA)
where:
Base-Base interactions energy: -1116.652
where: short stacking energy: -459.635
Base-Backbone interact. energy: -2.358
local terms energy: -451.340600
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -76.860
flat angles C4'-P-C4' energy: -102.990
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -118.599
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: 335
Temperature: 1.200000
Total energy: -1448.804104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.804104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.804104 (E_RNA)
where:
Base-Base interactions energy: -1000.116
where: short stacking energy: -419.930
Base-Backbone interact. energy: -2.036
local terms energy: -446.652352
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -95.767
flat angles C4'-P-C4' energy: -90.623
flat angles P-C4'-P energy: -66.842
tors. eta vs tors. theta energy: -101.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1226.260712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.260712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.260712 (E_RNA)
where:
Base-Base interactions energy: -819.948
where: short stacking energy: -337.333
Base-Backbone interact. energy: 4.233
local terms energy: -410.545720
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -88.082
flat angles C4'-P-C4' energy: -84.895
flat angles P-C4'-P energy: -65.073
tors. eta vs tors. theta energy: -95.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -866.742432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.742432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.742432 (E_RNA)
where:
Base-Base interactions energy: -526.006
where: short stacking energy: -258.697
Base-Backbone interact. energy: 0.359
local terms energy: -341.095725
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -91.258
flat angles P-C4'-P energy: -56.376
tors. eta vs tors. theta energy: -51.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -807.521719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.521719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.521719 (E_RNA)
where:
Base-Base interactions energy: -493.738
where: short stacking energy: -239.451
Base-Backbone interact. energy: -0.002
local terms energy: -313.782185
where:
bonds (distance) C4'-P energy: -76.566
bonds (distance) P-C4' energy: -74.762
flat angles C4'-P-C4' energy: -86.668
flat angles P-C4'-P energy: -43.182
tors. eta vs tors. theta energy: -32.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1838.915792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.915792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.915792 (E_RNA)
where:
Base-Base interactions energy: -1292.580
where: short stacking energy: -530.186
Base-Backbone interact. energy: -2.713
local terms energy: -543.621914
where:
bonds (distance) C4'-P energy: -103.622
bonds (distance) P-C4' energy: -97.782
flat angles C4'-P-C4' energy: -114.604
flat angles P-C4'-P energy: -76.034
tors. eta vs tors. theta energy: -151.580
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: 336
Temperature: 0.950000
Total energy: -1826.618948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.618948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.618948 (E_RNA)
where:
Base-Base interactions energy: -1275.616
where: short stacking energy: -542.453
Base-Backbone interact. energy: -0.256
local terms energy: -550.746468
where:
bonds (distance) C4'-P energy: -99.908
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -120.116
flat angles P-C4'-P energy: -67.649
tors. eta vs tors. theta energy: -165.043
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1739.321969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.321969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.321969 (E_RNA)
where:
Base-Base interactions energy: -1219.669
where: short stacking energy: -479.059
Base-Backbone interact. energy: -2.556
local terms energy: -517.097003
where:
bonds (distance) C4'-P energy: -97.629
bonds (distance) P-C4' energy: -98.324
flat angles C4'-P-C4' energy: -106.303
flat angles P-C4'-P energy: -74.729
tors. eta vs tors. theta energy: -140.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1674.175282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.175282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.175282 (E_RNA)
where:
Base-Base interactions energy: -1187.422
where: short stacking energy: -490.331
Base-Backbone interact. energy: -2.059
local terms energy: -484.694475
where:
bonds (distance) C4'-P energy: -79.969
bonds (distance) P-C4' energy: -86.181
flat angles C4'-P-C4' energy: -95.494
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -141.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1617.196367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.196367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.196367 (E_RNA)
where:
Base-Base interactions energy: -1134.919
where: short stacking energy: -466.758
Base-Backbone interact. energy: 1.485
local terms energy: -483.762718
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -87.159
flat angles C4'-P-C4' energy: -98.219
flat angles P-C4'-P energy: -69.194
tors. eta vs tors. theta energy: -135.259
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: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1552.501299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.501299 (E_RNA)
where:
Base-Base interactions energy: -1094.803
where: short stacking energy: -442.188
Base-Backbone interact. energy: 1.997
local terms energy: -459.695735
where:
bonds (distance) C4'-P energy: -76.058
bonds (distance) P-C4' energy: -83.777
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -128.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1413.192568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.192568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.192568 (E_RNA)
where:
Base-Base interactions energy: -995.225
where: short stacking energy: -424.380
Base-Backbone interact. energy: -2.872
local terms energy: -415.095365
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -83.653
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -59.694
tors. eta vs tors. theta energy: -108.101
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: 336
Temperature: 1.250000
Total energy: -1140.859540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.859540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.859540 (E_RNA)
where:
Base-Base interactions energy: -760.026
where: short stacking energy: -312.242
Base-Backbone interact. energy: -0.100
local terms energy: -380.733863
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -83.771
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -70.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -850.762975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.762975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.762975 (E_RNA)
where:
Base-Base interactions energy: -523.203
where: short stacking energy: -216.316
Base-Backbone interact. energy: 1.123
local terms energy: -328.682716
where:
bonds (distance) C4'-P energy: -85.024
bonds (distance) P-C4' energy: -87.491
flat angles C4'-P-C4' energy: -71.388
flat angles P-C4'-P energy: -63.779
tors. eta vs tors. theta energy: -21.001
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -802.672149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.672149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.672149 (E_RNA)
where:
Base-Base interactions energy: -502.372
where: short stacking energy: -239.439
Base-Backbone interact. energy: -1.741
local terms energy: -298.559893
where:
bonds (distance) C4'-P energy: -83.273
bonds (distance) P-C4' energy: -66.983
flat angles C4'-P-C4' energy: -79.487
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -34.399
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1858.589277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.589277 (E_RNA)
where:
Base-Base interactions energy: -1308.655
where: short stacking energy: -540.855
Base-Backbone interact. energy: -3.079
local terms energy: -546.854601
where:
bonds (distance) C4'-P energy: -103.001
bonds (distance) P-C4' energy: -105.102
flat angles C4'-P-C4' energy: -113.683
flat angles P-C4'-P energy: -68.141
tors. eta vs tors. theta energy: -156.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1830.384026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.384026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.384026 (E_RNA)
where:
Base-Base interactions energy: -1307.532
where: short stacking energy: -551.443
Base-Backbone interact. energy: 1.533
local terms energy: -524.384520
where:
bonds (distance) C4'-P energy: -95.379
bonds (distance) P-C4' energy: -92.170
flat angles C4'-P-C4' energy: -108.635
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -163.325
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: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1753.659931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.659931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.659931 (E_RNA)
where:
Base-Base interactions energy: -1228.715
where: short stacking energy: -490.203
Base-Backbone interact. energy: -1.072
local terms energy: -523.872573
where:
bonds (distance) C4'-P energy: -102.852
bonds (distance) P-C4' energy: -93.957
flat angles C4'-P-C4' energy: -108.703
flat angles P-C4'-P energy: -76.192
tors. eta vs tors. theta energy: -142.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1654.633004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.633004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.633004 (E_RNA)
where:
Base-Base interactions energy: -1188.699
where: short stacking energy: -478.187
Base-Backbone interact. energy: -0.747
local terms energy: -465.187209
where:
bonds (distance) C4'-P energy: -77.282
bonds (distance) P-C4' energy: -84.145
flat angles C4'-P-C4' energy: -101.057
flat angles P-C4'-P energy: -71.707
tors. eta vs tors. theta energy: -130.997
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1604.742728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.742728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.742728 (E_RNA)
where:
Base-Base interactions energy: -1121.662
where: short stacking energy: -461.210
Base-Backbone interact. energy: -0.071
local terms energy: -483.009489
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -71.271
flat angles C4'-P-C4' energy: -103.843
flat angles P-C4'-P energy: -73.136
tors. eta vs tors. theta energy: -137.720
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1556.742512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.742512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.742512 (E_RNA)
where:
Base-Base interactions energy: -1125.570
where: short stacking energy: -496.321
Base-Backbone interact. energy: -1.406
local terms energy: -429.766458
where:
bonds (distance) C4'-P energy: -60.573
bonds (distance) P-C4' energy: -78.952
flat angles C4'-P-C4' energy: -98.006
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -138.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1381.614598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.614598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.614598 (E_RNA)
where:
Base-Base interactions energy: -943.302
where: short stacking energy: -384.409
Base-Backbone interact. energy: -0.779
local terms energy: -437.533876
where:
bonds (distance) C4'-P energy: -82.609
bonds (distance) P-C4' energy: -92.583
flat angles C4'-P-C4' energy: -91.569
flat angles P-C4'-P energy: -70.418
tors. eta vs tors. theta energy: -100.355
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: 337
Temperature: 1.250000
Total energy: -1143.273027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.273027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.273027 (E_RNA)
where:
Base-Base interactions energy: -755.624
where: short stacking energy: -317.181
Base-Backbone interact. energy: -2.115
local terms energy: -385.533730
where:
bonds (distance) C4'-P energy: -83.942
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -73.108
tors. eta vs tors. theta energy: -76.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -887.698310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.698310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.698310 (E_RNA)
where:
Base-Base interactions energy: -563.545
where: short stacking energy: -257.154
Base-Backbone interact. energy: -0.700
local terms energy: -323.453604
where:
bonds (distance) C4'-P energy: -68.337
bonds (distance) P-C4' energy: -83.730
flat angles C4'-P-C4' energy: -85.984
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -35.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -791.390501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.390501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.390501 (E_RNA)
where:
Base-Base interactions energy: -486.627
where: short stacking energy: -204.680
Base-Backbone interact. energy: 6.328
local terms energy: -311.091655
where:
bonds (distance) C4'-P energy: -79.085
bonds (distance) P-C4' energy: -87.337
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1824.374051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.374051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.374051 (E_RNA)
where:
Base-Base interactions energy: -1293.072
where: short stacking energy: -534.204
Base-Backbone interact. energy: -1.397
local terms energy: -529.904694
where:
bonds (distance) C4'-P energy: -82.054
bonds (distance) P-C4' energy: -89.711
flat angles C4'-P-C4' energy: -116.797
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -156.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1824.038297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.038297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.038297 (E_RNA)
where:
Base-Base interactions energy: -1294.803
where: short stacking energy: -537.980
Base-Backbone interact. energy: -0.774
local terms energy: -528.460947
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -118.411
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -150.408
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: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1712.486510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.486510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.486510 (E_RNA)
where:
Base-Base interactions energy: -1232.027
where: short stacking energy: -501.570
Base-Backbone interact. energy: -0.433
local terms energy: -480.027027
where:
bonds (distance) C4'-P energy: -75.574
bonds (distance) P-C4' energy: -78.509
flat angles C4'-P-C4' energy: -107.119
flat angles P-C4'-P energy: -71.223
tors. eta vs tors. theta energy: -147.602
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1660.559265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.559265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.559265 (E_RNA)
where:
Base-Base interactions energy: -1170.156
where: short stacking energy: -479.319
Base-Backbone interact. energy: -1.084
local terms energy: -489.319633
where:
bonds (distance) C4'-P energy: -89.273
bonds (distance) P-C4' energy: -86.714
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -71.850
tors. eta vs tors. theta energy: -138.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1601.562736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.562736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.562736 (E_RNA)
where:
Base-Base interactions energy: -1145.166
where: short stacking energy: -451.990
Base-Backbone interact. energy: -1.343
local terms energy: -455.053258
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -89.255
flat angles C4'-P-C4' energy: -94.955
flat angles P-C4'-P energy: -66.953
tors. eta vs tors. theta energy: -118.854
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: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1587.451021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.451021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.451021 (E_RNA)
where:
Base-Base interactions energy: -1108.577
where: short stacking energy: -460.079
Base-Backbone interact. energy: -1.449
local terms energy: -477.425093
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -94.021
flat angles C4'-P-C4' energy: -98.880
flat angles P-C4'-P energy: -73.756
tors. eta vs tors. theta energy: -129.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1399.661026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.661026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.661026 (E_RNA)
where:
Base-Base interactions energy: -986.659
where: short stacking energy: -420.946
Base-Backbone interact. energy: -2.223
local terms energy: -410.778639
where:
bonds (distance) C4'-P energy: -68.203
bonds (distance) P-C4' energy: -71.822
flat angles C4'-P-C4' energy: -99.742
flat angles P-C4'-P energy: -50.583
tors. eta vs tors. theta energy: -120.430
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: 338
Temperature: 1.250000
Total energy: -1185.933236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.933236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.933236 (E_RNA)
where:
Base-Base interactions energy: -802.273
where: short stacking energy: -343.142
Base-Backbone interact. energy: -2.889
local terms energy: -380.771418
where:
bonds (distance) C4'-P energy: -66.620
bonds (distance) P-C4' energy: -96.800
flat angles C4'-P-C4' energy: -82.623
flat angles P-C4'-P energy: -59.032
tors. eta vs tors. theta energy: -75.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -907.345751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.345751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.345751 (E_RNA)
where:
Base-Base interactions energy: -585.251
where: short stacking energy: -273.815
Base-Backbone interact. energy: -1.142
local terms energy: -320.952257
where:
bonds (distance) C4'-P energy: -67.679
bonds (distance) P-C4' energy: -81.395
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -50.819
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -742.775232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.775232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.775232 (E_RNA)
where:
Base-Base interactions energy: -434.525
where: short stacking energy: -210.260
Base-Backbone interact. energy: -1.093
local terms energy: -307.156771
where:
bonds (distance) C4'-P energy: -94.346
bonds (distance) P-C4' energy: -63.150
flat angles C4'-P-C4' energy: -70.082
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1861.875722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.875722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.875722 (E_RNA)
where:
Base-Base interactions energy: -1317.563
where: short stacking energy: -540.005
Base-Backbone interact. energy: -0.141
local terms energy: -544.171736
where:
bonds (distance) C4'-P energy: -105.038
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -114.058
flat angles P-C4'-P energy: -75.841
tors. eta vs tors. theta energy: -159.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1822.093514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.093514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.093514 (E_RNA)
where:
Base-Base interactions energy: -1280.504
where: short stacking energy: -547.032
Base-Backbone interact. energy: -2.009
local terms energy: -539.580918
where:
bonds (distance) C4'-P energy: -87.937
bonds (distance) P-C4' energy: -94.678
flat angles C4'-P-C4' energy: -118.129
flat angles P-C4'-P energy: -85.178
tors. eta vs tors. theta energy: -153.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1746.040702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.040702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.040702 (E_RNA)
where:
Base-Base interactions energy: -1242.310
where: short stacking energy: -515.627
Base-Backbone interact. energy: -2.485
local terms energy: -501.246146
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -96.862
flat angles P-C4'-P energy: -68.554
tors. eta vs tors. theta energy: -158.116
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: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1667.557529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.557529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.557529 (E_RNA)
where:
Base-Base interactions energy: -1173.509
where: short stacking energy: -483.909
Base-Backbone interact. energy: 0.025
local terms energy: -494.073696
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -71.857
flat angles C4'-P-C4' energy: -113.047
flat angles P-C4'-P energy: -78.103
tors. eta vs tors. theta energy: -140.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1616.543583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.543583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.543583 (E_RNA)
where:
Base-Base interactions energy: -1164.209
where: short stacking energy: -460.073
Base-Backbone interact. energy: 1.667
local terms energy: -454.001047
where:
bonds (distance) C4'-P energy: -73.319
bonds (distance) P-C4' energy: -90.613
flat angles C4'-P-C4' energy: -106.427
flat angles P-C4'-P energy: -64.400
tors. eta vs tors. theta energy: -119.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1595.452726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.452726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.452726 (E_RNA)
where:
Base-Base interactions energy: -1117.374
where: short stacking energy: -456.359
Base-Backbone interact. energy: -1.754
local terms energy: -476.324887
where:
bonds (distance) C4'-P energy: -83.136
bonds (distance) P-C4' energy: -83.652
flat angles C4'-P-C4' energy: -105.656
flat angles P-C4'-P energy: -70.701
tors. eta vs tors. theta energy: -133.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1352.695219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.695219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.695219 (E_RNA)
where:
Base-Base interactions energy: -912.907
where: short stacking energy: -408.156
Base-Backbone interact. energy: -1.570
local terms energy: -438.217579
where:
bonds (distance) C4'-P energy: -80.039
bonds (distance) P-C4' energy: -82.767
flat angles C4'-P-C4' energy: -93.400
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -118.215
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: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1119.006699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.006699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.006699 (E_RNA)
where:
Base-Base interactions energy: -748.828
where: short stacking energy: -328.634
Base-Backbone interact. energy: 0.888
local terms energy: -371.067216
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -93.999
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -45.407
tors. eta vs tors. theta energy: -72.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -927.379843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.379843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.379843 (E_RNA)
where:
Base-Base interactions energy: -598.624
where: short stacking energy: -295.392
Base-Backbone interact. energy: 0.276
local terms energy: -329.031100
where:
bonds (distance) C4'-P energy: -78.184
bonds (distance) P-C4' energy: -83.052
flat angles C4'-P-C4' energy: -68.962
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: -55.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -734.426376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.426376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.426376 (E_RNA)
where:
Base-Base interactions energy: -456.192
where: short stacking energy: -201.082
Base-Backbone interact. energy: -2.889
local terms energy: -275.345403
where:
bonds (distance) C4'-P energy: -79.380
bonds (distance) P-C4' energy: -78.678
flat angles C4'-P-C4' energy: -65.538
flat angles P-C4'-P energy: -43.868
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1840.402721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.402721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.402721 (E_RNA)
where:
Base-Base interactions energy: -1285.511
where: short stacking energy: -544.229
Base-Backbone interact. energy: -0.939
local terms energy: -553.952781
where:
bonds (distance) C4'-P energy: -95.706
bonds (distance) P-C4' energy: -93.642
flat angles C4'-P-C4' energy: -118.731
flat angles P-C4'-P energy: -83.408
tors. eta vs tors. theta energy: -162.466
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: 340
Temperature: 0.950000
Total energy: -1820.431265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.431265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.431265 (E_RNA)
where:
Base-Base interactions energy: -1276.878
where: short stacking energy: -519.832
Base-Backbone interact. energy: -0.255
local terms energy: -543.297681
where:
bonds (distance) C4'-P energy: -101.581
bonds (distance) P-C4' energy: -94.733
flat angles C4'-P-C4' energy: -115.965
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -149.600
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: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1731.537059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.537059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.537059 (E_RNA)
where:
Base-Base interactions energy: -1216.753
where: short stacking energy: -501.603
Base-Backbone interact. energy: -3.711
local terms energy: -511.072962
where:
bonds (distance) C4'-P energy: -83.363
bonds (distance) P-C4' energy: -92.532
flat angles C4'-P-C4' energy: -110.002
flat angles P-C4'-P energy: -70.284
tors. eta vs tors. theta energy: -154.891
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: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1654.075320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.075320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.075320 (E_RNA)
where:
Base-Base interactions energy: -1144.670
where: short stacking energy: -481.409
Base-Backbone interact. energy: -2.180
local terms energy: -507.224934
where:
bonds (distance) C4'-P energy: -82.336
bonds (distance) P-C4' energy: -93.703
flat angles C4'-P-C4' energy: -113.221
flat angles P-C4'-P energy: -76.010
tors. eta vs tors. theta energy: -141.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1604.189223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.189223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.189223 (E_RNA)
where:
Base-Base interactions energy: -1134.095
where: short stacking energy: -477.607
Base-Backbone interact. energy: -3.349
local terms energy: -466.744807
where:
bonds (distance) C4'-P energy: -70.639
bonds (distance) P-C4' energy: -88.853
flat angles C4'-P-C4' energy: -102.868
flat angles P-C4'-P energy: -70.422
tors. eta vs tors. theta energy: -133.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1583.536697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.536697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.536697 (E_RNA)
where:
Base-Base interactions energy: -1119.288
where: short stacking energy: -458.133
Base-Backbone interact. energy: -1.439
local terms energy: -462.810073
where:
bonds (distance) C4'-P energy: -76.251
bonds (distance) P-C4' energy: -79.446
flat angles C4'-P-C4' energy: -102.946
flat angles P-C4'-P energy: -65.069
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: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1432.805573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.805573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.805573 (E_RNA)
where:
Base-Base interactions energy: -994.289
where: short stacking energy: -399.484
Base-Backbone interact. energy: -1.571
local terms energy: -436.946461
where:
bonds (distance) C4'-P energy: -78.718
bonds (distance) P-C4' energy: -91.008
flat angles C4'-P-C4' energy: -89.996
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -113.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1133.561610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.561610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.561610 (E_RNA)
where:
Base-Base interactions energy: -745.068
where: short stacking energy: -344.177
Base-Backbone interact. energy: -3.705
local terms energy: -384.788827
where:
bonds (distance) C4'-P energy: -69.214
bonds (distance) P-C4' energy: -74.044
flat angles C4'-P-C4' energy: -101.337
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -79.322
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: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -939.030280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.030280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.030280 (E_RNA)
where:
Base-Base interactions energy: -605.697
where: short stacking energy: -276.330
Base-Backbone interact. energy: -2.231
local terms energy: -331.102068
where:
bonds (distance) C4'-P energy: -72.611
bonds (distance) P-C4' energy: -84.032
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -43.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -691.486596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.486596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.486596 (E_RNA)
where:
Base-Base interactions energy: -380.861
where: short stacking energy: -201.508
Base-Backbone interact. energy: 0.486
local terms energy: -311.111402
where:
bonds (distance) C4'-P energy: -84.247
bonds (distance) P-C4' energy: -96.597
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -13.325
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: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1831.540140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.540140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.540140 (E_RNA)
where:
Base-Base interactions energy: -1282.767
where: short stacking energy: -540.783
Base-Backbone interact. energy: -0.525
local terms energy: -548.248599
where:
bonds (distance) C4'-P energy: -95.898
bonds (distance) P-C4' energy: -96.276
flat angles C4'-P-C4' energy: -112.060
flat angles P-C4'-P energy: -89.936
tors. eta vs tors. theta energy: -154.079
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: 341
Temperature: 0.950000
Total energy: -1799.183448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.183448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.183448 (E_RNA)
where:
Base-Base interactions energy: -1286.314
where: short stacking energy: -539.291
Base-Backbone interact. energy: -0.135
local terms energy: -512.734867
where:
bonds (distance) C4'-P energy: -85.349
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -105.821
flat angles P-C4'-P energy: -76.916
tors. eta vs tors. theta energy: -152.054
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1740.598022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.598022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.598022 (E_RNA)
where:
Base-Base interactions energy: -1231.702
where: short stacking energy: -505.133
Base-Backbone interact. energy: -1.933
local terms energy: -506.963268
where:
bonds (distance) C4'-P energy: -87.720
bonds (distance) P-C4' energy: -87.507
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -67.575
tors. eta vs tors. theta energy: -149.574
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: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1628.118337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.118337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.118337 (E_RNA)
where:
Base-Base interactions energy: -1146.603
where: short stacking energy: -475.347
Base-Backbone interact. energy: -0.391
local terms energy: -481.123650
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -88.781
flat angles C4'-P-C4' energy: -100.781
flat angles P-C4'-P energy: -61.088
tors. eta vs tors. theta energy: -137.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1661.804503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.804503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.804503 (E_RNA)
where:
Base-Base interactions energy: -1156.838
where: short stacking energy: -492.474
Base-Backbone interact. energy: -1.912
local terms energy: -503.054052
where:
bonds (distance) C4'-P energy: -71.217
bonds (distance) P-C4' energy: -107.253
flat angles C4'-P-C4' energy: -115.278
flat angles P-C4'-P energy: -65.516
tors. eta vs tors. theta energy: -143.789
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: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1593.708496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.708496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.708496 (E_RNA)
where:
Base-Base interactions energy: -1111.938
where: short stacking energy: -455.307
Base-Backbone interact. energy: -2.821
local terms energy: -478.949490
where:
bonds (distance) C4'-P energy: -89.071
bonds (distance) P-C4' energy: -89.388
flat angles C4'-P-C4' energy: -103.376
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -132.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1452.343477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.343477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.343477 (E_RNA)
where:
Base-Base interactions energy: -1027.359
where: short stacking energy: -435.233
Base-Backbone interact. energy: 2.087
local terms energy: -427.072010
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -79.729
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -65.912
tors. eta vs tors. theta energy: -123.261
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: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1070.655680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.655680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.655680 (E_RNA)
where:
Base-Base interactions energy: -696.060
where: short stacking energy: -299.457
Base-Backbone interact. energy: -3.707
local terms energy: -370.888269
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -78.240
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -67.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -976.546705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.546705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.546705 (E_RNA)
where:
Base-Base interactions energy: -608.285
where: short stacking energy: -286.237
Base-Backbone interact. energy: -1.569
local terms energy: -366.693093
where:
bonds (distance) C4'-P energy: -81.769
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -73.669
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -60.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -727.846861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.846861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.846861 (E_RNA)
where:
Base-Base interactions energy: -438.469
where: short stacking energy: -196.731
Base-Backbone interact. energy: -1.503
local terms energy: -287.875054
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -93.658
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1848.757981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.757981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.757981 (E_RNA)
where:
Base-Base interactions energy: -1297.498
where: short stacking energy: -557.093
Base-Backbone interact. energy: -1.259
local terms energy: -550.001687
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -99.440
flat angles C4'-P-C4' energy: -115.505
flat angles P-C4'-P energy: -82.933
tors. eta vs tors. theta energy: -158.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1803.713396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.713396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.713396 (E_RNA)
where:
Base-Base interactions energy: -1275.246
where: short stacking energy: -522.982
Base-Backbone interact. energy: -2.179
local terms energy: -526.288575
where:
bonds (distance) C4'-P energy: -96.697
bonds (distance) P-C4' energy: -93.692
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -82.691
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: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1765.207712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.207712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.207712 (E_RNA)
where:
Base-Base interactions energy: -1236.683
where: short stacking energy: -519.435
Base-Backbone interact. energy: -1.299
local terms energy: -527.225449
where:
bonds (distance) C4'-P energy: -97.369
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -112.496
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -147.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1681.767060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.767060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.767060 (E_RNA)
where:
Base-Base interactions energy: -1170.444
where: short stacking energy: -503.897
Base-Backbone interact. energy: -2.748
local terms energy: -508.575267
where:
bonds (distance) C4'-P energy: -80.819
bonds (distance) P-C4' energy: -96.404
flat angles C4'-P-C4' energy: -112.366
flat angles P-C4'-P energy: -75.853
tors. eta vs tors. theta energy: -143.133
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: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1666.834042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.834042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.834042 (E_RNA)
where:
Base-Base interactions energy: -1163.997
where: short stacking energy: -499.262
Base-Backbone interact. energy: -2.444
local terms energy: -500.393014
where:
bonds (distance) C4'-P energy: -82.370
bonds (distance) P-C4' energy: -96.699
flat angles C4'-P-C4' energy: -108.380
flat angles P-C4'-P energy: -73.471
tors. eta vs tors. theta energy: -139.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1617.798846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.798846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.798846 (E_RNA)
where:
Base-Base interactions energy: -1151.151
where: short stacking energy: -472.116
Base-Backbone interact. energy: -1.062
local terms energy: -465.586445
where:
bonds (distance) C4'-P energy: -73.402
bonds (distance) P-C4' energy: -94.149
flat angles C4'-P-C4' energy: -97.536
flat angles P-C4'-P energy: -71.252
tors. eta vs tors. theta energy: -129.248
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: 342
Temperature: 1.200000
Total energy: -1475.387392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.387392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.387392 (E_RNA)
where:
Base-Base interactions energy: -1060.654
where: short stacking energy: -445.632
Base-Backbone interact. energy: -0.515
local terms energy: -414.217980
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -86.401
flat angles C4'-P-C4' energy: -88.369
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: -117.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1151.645378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.645378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.645378 (E_RNA)
where:
Base-Base interactions energy: -800.405
where: short stacking energy: -347.036
Base-Backbone interact. energy: -2.142
local terms energy: -349.098171
where:
bonds (distance) C4'-P energy: -61.603
bonds (distance) P-C4' energy: -61.822
flat angles C4'-P-C4' energy: -78.036
flat angles P-C4'-P energy: -60.655
tors. eta vs tors. theta energy: -86.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -987.114084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.114084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.114084 (E_RNA)
where:
Base-Base interactions energy: -637.451
where: short stacking energy: -285.451
Base-Backbone interact. energy: -0.916
local terms energy: -348.746846
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -94.025
flat angles C4'-P-C4' energy: -82.022
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -51.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -771.453125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.453125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.453125 (E_RNA)
where:
Base-Base interactions energy: -462.674
where: short stacking energy: -226.409
Base-Backbone interact. energy: -0.381
local terms energy: -308.397890
where:
bonds (distance) C4'-P energy: -89.360
bonds (distance) P-C4' energy: -62.352
flat angles C4'-P-C4' energy: -74.820
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1842.265393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.265393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.265393 (E_RNA)
where:
Base-Base interactions energy: -1280.209
where: short stacking energy: -549.825
Base-Backbone interact. energy: -0.737
local terms energy: -561.319369
where:
bonds (distance) C4'-P energy: -101.616
bonds (distance) P-C4' energy: -105.081
flat angles C4'-P-C4' energy: -120.818
flat angles P-C4'-P energy: -78.367
tors. eta vs tors. theta energy: -155.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1808.357089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.357089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.357089 (E_RNA)
where:
Base-Base interactions energy: -1292.124
where: short stacking energy: -533.929
Base-Backbone interact. energy: -2.627
local terms energy: -513.606866
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -88.945
flat angles C4'-P-C4' energy: -105.445
flat angles P-C4'-P energy: -73.631
tors. eta vs tors. theta energy: -156.058
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: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1743.504474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.504474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.504474 (E_RNA)
where:
Base-Base interactions energy: -1226.615
where: short stacking energy: -510.006
Base-Backbone interact. energy: -1.774
local terms energy: -515.115151
where:
bonds (distance) C4'-P energy: -91.641
bonds (distance) P-C4' energy: -97.364
flat angles C4'-P-C4' energy: -107.159
flat angles P-C4'-P energy: -70.006
tors. eta vs tors. theta energy: -148.945
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: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1675.915450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.915450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.915450 (E_RNA)
where:
Base-Base interactions energy: -1167.208
where: short stacking energy: -477.751
Base-Backbone interact. energy: -3.297
local terms energy: -505.409872
where:
bonds (distance) C4'-P energy: -87.743
bonds (distance) P-C4' energy: -94.964
flat angles C4'-P-C4' energy: -111.723
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -148.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1581.339440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.339440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.339440 (E_RNA)
where:
Base-Base interactions energy: -1104.670
where: short stacking energy: -472.338
Base-Backbone interact. energy: 3.840
local terms energy: -480.508951
where:
bonds (distance) C4'-P energy: -94.535
bonds (distance) P-C4' energy: -89.304
flat angles C4'-P-C4' energy: -102.508
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -132.464
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: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1616.422895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.422895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.422895 (E_RNA)
where:
Base-Base interactions energy: -1151.205
where: short stacking energy: -462.484
Base-Backbone interact. energy: 0.853
local terms energy: -466.070903
where:
bonds (distance) C4'-P energy: -86.398
bonds (distance) P-C4' energy: -74.949
flat angles C4'-P-C4' energy: -107.222
flat angles P-C4'-P energy: -67.343
tors. eta vs tors. theta energy: -130.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1425.049323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.049323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.049323 (E_RNA)
where:
Base-Base interactions energy: -983.185
where: short stacking energy: -425.770
Base-Backbone interact. energy: 2.438
local terms energy: -444.302517
where:
bonds (distance) C4'-P energy: -84.159
bonds (distance) P-C4' energy: -88.996
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -121.423
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: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1047.152204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.152204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.152204 (E_RNA)
where:
Base-Base interactions energy: -696.944
where: short stacking energy: -301.164
Base-Backbone interact. energy: 1.590
local terms energy: -351.798122
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -82.964
flat angles C4'-P-C4' energy: -87.369
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -63.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1095.975274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.975274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.975274 (E_RNA)
where:
Base-Base interactions energy: -726.368
where: short stacking energy: -323.939
Base-Backbone interact. energy: -1.997
local terms energy: -367.609535
where:
bonds (distance) C4'-P energy: -68.580
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -75.523
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -83.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -765.310691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.310691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.310691 (E_RNA)
where:
Base-Base interactions energy: -466.704
where: short stacking energy: -213.008
Base-Backbone interact. energy: 5.516
local terms energy: -304.122123
where:
bonds (distance) C4'-P energy: -74.476
bonds (distance) P-C4' energy: -90.717
flat angles C4'-P-C4' energy: -76.017
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -12.922
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: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1830.639383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.639383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.639383 (E_RNA)
where:
Base-Base interactions energy: -1293.844
where: short stacking energy: -537.470
Base-Backbone interact. energy: -2.255
local terms energy: -534.540518
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -109.943
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -154.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1809.152323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.152323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.152323 (E_RNA)
where:
Base-Base interactions energy: -1249.409
where: short stacking energy: -531.725
Base-Backbone interact. energy: -0.929
local terms energy: -558.814177
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -102.175
flat angles C4'-P-C4' energy: -124.367
flat angles P-C4'-P energy: -84.274
tors. eta vs tors. theta energy: -159.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1774.077364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.077364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.077364 (E_RNA)
where:
Base-Base interactions energy: -1241.478
where: short stacking energy: -515.460
Base-Backbone interact. energy: -4.848
local terms energy: -527.751349
where:
bonds (distance) C4'-P energy: -82.804
bonds (distance) P-C4' energy: -107.892
flat angles C4'-P-C4' energy: -103.451
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -155.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1687.274813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.274813 (E_RNA)
where:
Base-Base interactions energy: -1190.770
where: short stacking energy: -479.133
Base-Backbone interact. energy: -1.058
local terms energy: -495.446398
where:
bonds (distance) C4'-P energy: -93.060
bonds (distance) P-C4' energy: -85.963
flat angles C4'-P-C4' energy: -101.288
flat angles P-C4'-P energy: -76.395
tors. eta vs tors. theta energy: -138.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1638.602495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.602495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.602495 (E_RNA)
where:
Base-Base interactions energy: -1148.448
where: short stacking energy: -463.262
Base-Backbone interact. energy: -3.562
local terms energy: -486.592367
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -92.519
flat angles C4'-P-C4' energy: -109.440
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -123.869
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: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1538.144733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.144733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.144733 (E_RNA)
where:
Base-Base interactions energy: -1072.004
where: short stacking energy: -447.243
Base-Backbone interact. energy: 0.030
local terms energy: -466.171431
where:
bonds (distance) C4'-P energy: -74.529
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -105.922
flat angles P-C4'-P energy: -66.157
tors. eta vs tors. theta energy: -126.941
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: 344
Temperature: 1.200000
Total energy: -1502.969991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.969991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.969991 (E_RNA)
where:
Base-Base interactions energy: -1067.883
where: short stacking energy: -439.816
Base-Backbone interact. energy: -2.552
local terms energy: -432.535386
where:
bonds (distance) C4'-P energy: -78.349
bonds (distance) P-C4' energy: -73.592
flat angles C4'-P-C4' energy: -96.479
flat angles P-C4'-P energy: -64.981
tors. eta vs tors. theta energy: -119.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1101.140709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.140709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.140709 (E_RNA)
where:
Base-Base interactions energy: -728.918
where: short stacking energy: -304.356
Base-Backbone interact. energy: -2.607
local terms energy: -369.615696
where:
bonds (distance) C4'-P energy: -75.977
bonds (distance) P-C4' energy: -90.647
flat angles C4'-P-C4' energy: -73.926
flat angles P-C4'-P energy: -54.654
tors. eta vs tors. theta energy: -74.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -993.352066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.352066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.352066 (E_RNA)
where:
Base-Base interactions energy: -644.347
where: short stacking energy: -269.523
Base-Backbone interact. energy: -1.909
local terms energy: -347.096302
where:
bonds (distance) C4'-P energy: -81.939
bonds (distance) P-C4' energy: -78.255
flat angles C4'-P-C4' energy: -73.403
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -721.769770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.769770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.769770 (E_RNA)
where:
Base-Base interactions energy: -442.209
where: short stacking energy: -190.224
Base-Backbone interact. energy: -0.297
local terms energy: -279.263196
where:
bonds (distance) C4'-P energy: -87.036
bonds (distance) P-C4' energy: -73.278
flat angles C4'-P-C4' energy: -75.547
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -25.493
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: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1838.541889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.541889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.541889 (E_RNA)
where:
Base-Base interactions energy: -1288.699
where: short stacking energy: -531.338
Base-Backbone interact. energy: -3.638
local terms energy: -546.205268
where:
bonds (distance) C4'-P energy: -101.633
bonds (distance) P-C4' energy: -93.779
flat angles C4'-P-C4' energy: -120.532
flat angles P-C4'-P energy: -78.783
tors. eta vs tors. theta energy: -151.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1801.933296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.933296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.933296 (E_RNA)
where:
Base-Base interactions energy: -1264.156
where: short stacking energy: -541.184
Base-Backbone interact. energy: -1.197
local terms energy: -536.579562
where:
bonds (distance) C4'-P energy: -95.546
bonds (distance) P-C4' energy: -89.959
flat angles C4'-P-C4' energy: -113.344
flat angles P-C4'-P energy: -83.448
tors. eta vs tors. theta energy: -154.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1765.903034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.903034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.903034 (E_RNA)
where:
Base-Base interactions energy: -1253.946
where: short stacking energy: -523.453
Base-Backbone interact. energy: -1.532
local terms energy: -510.424844
where:
bonds (distance) C4'-P energy: -97.665
bonds (distance) P-C4' energy: -90.899
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -71.006
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: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1706.198905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.198905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.198905 (E_RNA)
where:
Base-Base interactions energy: -1178.944
where: short stacking energy: -493.228
Base-Backbone interact. energy: -0.918
local terms energy: -526.337234
where:
bonds (distance) C4'-P energy: -91.798
bonds (distance) P-C4' energy: -98.465
flat angles C4'-P-C4' energy: -116.351
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -145.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1653.380395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.380395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.380395 (E_RNA)
where:
Base-Base interactions energy: -1177.862
where: short stacking energy: -477.390
Base-Backbone interact. energy: -1.385
local terms energy: -474.133735
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -81.182
flat angles C4'-P-C4' energy: -102.345
flat angles P-C4'-P energy: -80.002
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: 345
Temperature: 1.150000
Total energy: -1536.616898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.616898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.616898 (E_RNA)
where:
Base-Base interactions energy: -1065.123
where: short stacking energy: -450.457
Base-Backbone interact. energy: 1.265
local terms energy: -472.758938
where:
bonds (distance) C4'-P energy: -96.719
bonds (distance) P-C4' energy: -104.378
flat angles C4'-P-C4' energy: -95.183
flat angles P-C4'-P energy: -56.091
tors. eta vs tors. theta energy: -120.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1470.510301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.510301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.510301 (E_RNA)
where:
Base-Base interactions energy: -1036.420
where: short stacking energy: -422.417
Base-Backbone interact. energy: -1.939
local terms energy: -432.151645
where:
bonds (distance) C4'-P energy: -83.268
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -85.582
flat angles P-C4'-P energy: -68.894
tors. eta vs tors. theta energy: -113.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1092.072414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.072414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.072414 (E_RNA)
where:
Base-Base interactions energy: -684.568
where: short stacking energy: -290.165
Base-Backbone interact. energy: -1.805
local terms energy: -405.700017
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -86.266
flat angles C4'-P-C4' energy: -93.933
flat angles P-C4'-P energy: -63.686
tors. eta vs tors. theta energy: -69.966
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: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1000.288488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.288488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.288488 (E_RNA)
where:
Base-Base interactions energy: -646.211
where: short stacking energy: -280.543
Base-Backbone interact. energy: -0.062
local terms energy: -354.015207
where:
bonds (distance) C4'-P energy: -73.136
bonds (distance) P-C4' energy: -97.168
flat angles C4'-P-C4' energy: -88.084
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -50.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -739.716315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.716315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.716315 (E_RNA)
where:
Base-Base interactions energy: -442.911
where: short stacking energy: -215.741
Base-Backbone interact. energy: -2.312
local terms energy: -294.492897
where:
bonds (distance) C4'-P energy: -69.112
bonds (distance) P-C4' energy: -79.017
flat angles C4'-P-C4' energy: -83.892
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1846.594884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.594884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.594884 (E_RNA)
where:
Base-Base interactions energy: -1311.246
where: short stacking energy: -553.875
Base-Backbone interact. energy: -1.515
local terms energy: -533.834030
where:
bonds (distance) C4'-P energy: -89.531
bonds (distance) P-C4' energy: -98.989
flat angles C4'-P-C4' energy: -112.606
flat angles P-C4'-P energy: -79.090
tors. eta vs tors. theta energy: -153.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1806.242753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.242753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.242753 (E_RNA)
where:
Base-Base interactions energy: -1280.700
where: short stacking energy: -545.949
Base-Backbone interact. energy: 3.538
local terms energy: -529.080412
where:
bonds (distance) C4'-P energy: -83.835
bonds (distance) P-C4' energy: -92.413
flat angles C4'-P-C4' energy: -109.180
flat angles P-C4'-P energy: -86.078
tors. eta vs tors. theta energy: -157.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1773.852382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.852382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.852382 (E_RNA)
where:
Base-Base interactions energy: -1247.539
where: short stacking energy: -524.197
Base-Backbone interact. energy: -2.079
local terms energy: -524.234427
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -66.646
tors. eta vs tors. theta energy: -146.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1696.256313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.256313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.256313 (E_RNA)
where:
Base-Base interactions energy: -1192.228
where: short stacking energy: -488.395
Base-Backbone interact. energy: -1.425
local terms energy: -502.603289
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -93.209
flat angles C4'-P-C4' energy: -107.427
flat angles P-C4'-P energy: -63.821
tors. eta vs tors. theta energy: -141.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1648.585323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.585323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.585323 (E_RNA)
where:
Base-Base interactions energy: -1150.783
where: short stacking energy: -469.868
Base-Backbone interact. energy: -1.827
local terms energy: -495.975552
where:
bonds (distance) C4'-P energy: -83.518
bonds (distance) P-C4' energy: -92.169
flat angles C4'-P-C4' energy: -105.252
flat angles P-C4'-P energy: -77.097
tors. eta vs tors. theta energy: -137.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1524.460039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.460039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.460039 (E_RNA)
where:
Base-Base interactions energy: -1078.618
where: short stacking energy: -433.830
Base-Backbone interact. energy: -2.478
local terms energy: -443.363546
where:
bonds (distance) C4'-P energy: -73.857
bonds (distance) P-C4' energy: -87.797
flat angles C4'-P-C4' energy: -89.162
flat angles P-C4'-P energy: -66.842
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: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1499.204198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.204198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.204198 (E_RNA)
where:
Base-Base interactions energy: -1073.331
where: short stacking energy: -466.320
Base-Backbone interact. energy: -1.740
local terms energy: -424.132626
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -77.067
flat angles C4'-P-C4' energy: -88.249
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -128.855
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1086.317679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.317679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.317679 (E_RNA)
where:
Base-Base interactions energy: -708.857
where: short stacking energy: -311.540
Base-Backbone interact. energy: -1.718
local terms energy: -375.742441
where:
bonds (distance) C4'-P energy: -99.164
bonds (distance) P-C4' energy: -78.202
flat angles C4'-P-C4' energy: -80.961
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -73.784
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: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -774.421744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.421744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.421744 (E_RNA)
where:
Base-Base interactions energy: -452.985
where: short stacking energy: -236.046
Base-Backbone interact. energy: 0.529
local terms energy: -321.966449
where:
bonds (distance) C4'-P energy: -77.927
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -71.465
flat angles P-C4'-P energy: -52.403
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -915.062180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.062180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.062180 (E_RNA)
where:
Base-Base interactions energy: -573.217
where: short stacking energy: -251.850
Base-Backbone interact. energy: 0.006
local terms energy: -341.850667
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -52.656
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1837.909601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.909601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.909601 (E_RNA)
where:
Base-Base interactions energy: -1295.251
where: short stacking energy: -534.124
Base-Backbone interact. energy: -2.389
local terms energy: -540.270312
where:
bonds (distance) C4'-P energy: -98.185
bonds (distance) P-C4' energy: -96.222
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -79.063
tors. eta vs tors. theta energy: -154.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1807.686908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.686908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.686908 (E_RNA)
where:
Base-Base interactions energy: -1252.964
where: short stacking energy: -542.173
Base-Backbone interact. energy: -0.279
local terms energy: -554.444404
where:
bonds (distance) C4'-P energy: -93.081
bonds (distance) P-C4' energy: -102.665
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -77.432
tors. eta vs tors. theta energy: -164.880
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: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1802.137483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.137483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.137483 (E_RNA)
where:
Base-Base interactions energy: -1277.242
where: short stacking energy: -532.145
Base-Backbone interact. energy: -1.195
local terms energy: -523.700371
where:
bonds (distance) C4'-P energy: -93.399
bonds (distance) P-C4' energy: -93.002
flat angles C4'-P-C4' energy: -104.048
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -156.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1701.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.113223 (E_RNA)
where:
Base-Base interactions energy: -1171.556
where: short stacking energy: -479.648
Base-Backbone interact. energy: -1.262
local terms energy: -528.295055
where:
bonds (distance) C4'-P energy: -91.295
bonds (distance) P-C4' energy: -98.669
flat angles C4'-P-C4' energy: -114.799
flat angles P-C4'-P energy: -83.238
tors. eta vs tors. theta energy: -140.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1677.570495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.570495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.570495 (E_RNA)
where:
Base-Base interactions energy: -1175.494
where: short stacking energy: -481.145
Base-Backbone interact. energy: -2.477
local terms energy: -499.599288
where:
bonds (distance) C4'-P energy: -82.999
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -106.278
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -133.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1498.846292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.846292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.846292 (E_RNA)
where:
Base-Base interactions energy: -1029.686
where: short stacking energy: -418.466
Base-Backbone interact. energy: -3.390
local terms energy: -465.770977
where:
bonds (distance) C4'-P energy: -92.356
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -106.830
flat angles P-C4'-P energy: -62.275
tors. eta vs tors. theta energy: -115.994
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: 347
Temperature: 1.200000
Total energy: -1486.505809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.505809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.505809 (E_RNA)
where:
Base-Base interactions energy: -1029.886
where: short stacking energy: -434.084
Base-Backbone interact. energy: -2.647
local terms energy: -453.973691
where:
bonds (distance) C4'-P energy: -87.140
bonds (distance) P-C4' energy: -85.066
flat angles C4'-P-C4' energy: -90.213
flat angles P-C4'-P energy: -66.751
tors. eta vs tors. theta energy: -124.803
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1125.590444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.590444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.590444 (E_RNA)
where:
Base-Base interactions energy: -748.913
where: short stacking energy: -350.485
Base-Backbone interact. energy: 0.464
local terms energy: -377.140961
where:
bonds (distance) C4'-P energy: -76.591
bonds (distance) P-C4' energy: -74.699
flat angles C4'-P-C4' energy: -79.120
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -81.200
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: 347
Temperature: 1.300000
Total energy: -834.816182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.816182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.816182 (E_RNA)
where:
Base-Base interactions energy: -511.334
where: short stacking energy: -234.962
Base-Backbone interact. energy: -0.659
local terms energy: -322.823434
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -84.159
flat angles C4'-P-C4' energy: -74.422
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -41.791
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: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -860.206460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.206460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.206460 (E_RNA)
where:
Base-Base interactions energy: -538.690
where: short stacking energy: -254.030
Base-Backbone interact. energy: -2.708
local terms energy: -318.808088
where:
bonds (distance) C4'-P energy: -82.809
bonds (distance) P-C4' energy: -70.617
flat angles C4'-P-C4' energy: -76.031
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -41.248
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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1840.749778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.749778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.749778 (E_RNA)
where:
Base-Base interactions energy: -1288.119
where: short stacking energy: -541.055
Base-Backbone interact. energy: -0.963
local terms energy: -551.668020
where:
bonds (distance) C4'-P energy: -94.380
bonds (distance) P-C4' energy: -92.669
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -161.987
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1819.436677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.436677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.436677 (E_RNA)
where:
Base-Base interactions energy: -1302.961
where: short stacking energy: -517.669
Base-Backbone interact. energy: -1.752
local terms energy: -514.723637
where:
bonds (distance) C4'-P energy: -85.340
bonds (distance) P-C4' energy: -91.147
flat angles C4'-P-C4' energy: -107.897
flat angles P-C4'-P energy: -78.405
tors. eta vs tors. theta energy: -151.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1777.243041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.243041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.243041 (E_RNA)
where:
Base-Base interactions energy: -1245.186
where: short stacking energy: -510.868
Base-Backbone interact. energy: -3.123
local terms energy: -528.933737
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -100.773
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -149.314
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: 348
Temperature: 1.050000
Total energy: -1675.184555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.184555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.184555 (E_RNA)
where:
Base-Base interactions energy: -1184.670
where: short stacking energy: -505.692
Base-Backbone interact. energy: 4.004
local terms energy: -494.517728
where:
bonds (distance) C4'-P energy: -76.825
bonds (distance) P-C4' energy: -85.981
flat angles C4'-P-C4' energy: -109.892
flat angles P-C4'-P energy: -81.291
tors. eta vs tors. theta energy: -140.529
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: 348
Temperature: 1.100000
Total energy: -1651.165663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.165663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.165663 (E_RNA)
where:
Base-Base interactions energy: -1178.358
where: short stacking energy: -488.374
Base-Backbone interact. energy: -0.622
local terms energy: -472.185617
where:
bonds (distance) C4'-P energy: -89.382
bonds (distance) P-C4' energy: -79.107
flat angles C4'-P-C4' energy: -103.275
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -141.161
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1532.234705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.234705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.234705 (E_RNA)
where:
Base-Base interactions energy: -1072.211
where: short stacking energy: -458.246
Base-Backbone interact. energy: -0.944
local terms energy: -459.080316
where:
bonds (distance) C4'-P energy: -85.655
bonds (distance) P-C4' energy: -80.983
flat angles C4'-P-C4' energy: -97.436
flat angles P-C4'-P energy: -80.879
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: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1518.000886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.000886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.000886 (E_RNA)
where:
Base-Base interactions energy: -1060.625
where: short stacking energy: -433.141
Base-Backbone interact. energy: -0.201
local terms energy: -457.174610
where:
bonds (distance) C4'-P energy: -85.558
bonds (distance) P-C4' energy: -92.284
flat angles C4'-P-C4' energy: -97.196
flat angles P-C4'-P energy: -54.646
tors. eta vs tors. theta energy: -127.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1078.734959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.734959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.734959 (E_RNA)
where:
Base-Base interactions energy: -714.861
where: short stacking energy: -317.667
Base-Backbone interact. energy: -2.835
local terms energy: -361.038771
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -72.128
flat angles C4'-P-C4' energy: -87.019
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -80.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -915.293071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.293071 (E_RNA)
where:
Base-Base interactions energy: -582.315
where: short stacking energy: -275.274
Base-Backbone interact. energy: -1.140
local terms energy: -331.837777
where:
bonds (distance) C4'-P energy: -64.318
bonds (distance) P-C4' energy: -74.938
flat angles C4'-P-C4' energy: -88.315
flat angles P-C4'-P energy: -48.188
tors. eta vs tors. theta energy: -56.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -822.100284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.100284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.100284 (E_RNA)
where:
Base-Base interactions energy: -520.535
where: short stacking energy: -245.264
Base-Backbone interact. energy: 5.976
local terms energy: -307.541089
where:
bonds (distance) C4'-P energy: -63.734
bonds (distance) P-C4' energy: -90.990
flat angles C4'-P-C4' energy: -72.088
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1860.099649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.099649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.099649 (E_RNA)
where:
Base-Base interactions energy: -1305.243
where: short stacking energy: -540.756
Base-Backbone interact. energy: -3.609
local terms energy: -551.248092
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -98.643
flat angles C4'-P-C4' energy: -111.323
flat angles P-C4'-P energy: -77.882
tors. eta vs tors. theta energy: -159.568
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: 349
Temperature: 0.950000
Total energy: -1821.462160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.462160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.462160 (E_RNA)
where:
Base-Base interactions energy: -1282.486
where: short stacking energy: -535.116
Base-Backbone interact. energy: -4.407
local terms energy: -534.569579
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -95.079
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -80.532
tors. eta vs tors. theta energy: -157.049
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1790.467090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.467090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.467090 (E_RNA)
where:
Base-Base interactions energy: -1253.492
where: short stacking energy: -512.853
Base-Backbone interact. energy: -1.050
local terms energy: -535.924848
where:
bonds (distance) C4'-P energy: -101.518
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -111.928
flat angles P-C4'-P energy: -68.699
tors. eta vs tors. theta energy: -157.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1686.055619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.055619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.055619 (E_RNA)
where:
Base-Base interactions energy: -1191.010
where: short stacking energy: -490.819
Base-Backbone interact. energy: -5.564
local terms energy: -489.481142
where:
bonds (distance) C4'-P energy: -79.691
bonds (distance) P-C4' energy: -90.209
flat angles C4'-P-C4' energy: -100.413
flat angles P-C4'-P energy: -75.695
tors. eta vs tors. theta energy: -143.473
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1632.634951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.634951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.634951 (E_RNA)
where:
Base-Base interactions energy: -1152.024
where: short stacking energy: -474.502
Base-Backbone interact. energy: -2.250
local terms energy: -478.360744
where:
bonds (distance) C4'-P energy: -83.686
bonds (distance) P-C4' energy: -92.190
flat angles C4'-P-C4' energy: -91.625
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -140.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1541.371603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.371603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.371603 (E_RNA)
where:
Base-Base interactions energy: -1103.108
where: short stacking energy: -461.805
Base-Backbone interact. energy: -0.643
local terms energy: -437.619822
where:
bonds (distance) C4'-P energy: -69.135
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -90.481
flat angles P-C4'-P energy: -72.316
tors. eta vs tors. theta energy: -125.579
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: 349
Temperature: 1.200000
Total energy: -1495.450780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.450780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.450780 (E_RNA)
where:
Base-Base interactions energy: -1058.252
where: short stacking energy: -436.515
Base-Backbone interact. energy: -1.194
local terms energy: -436.005254
where:
bonds (distance) C4'-P energy: -76.587
bonds (distance) P-C4' energy: -71.879
flat angles C4'-P-C4' energy: -92.500
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -125.445
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1057.780874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.780874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.780874 (E_RNA)
where:
Base-Base interactions energy: -701.613
where: short stacking energy: -304.468
Base-Backbone interact. energy: -0.572
local terms energy: -355.595935
where:
bonds (distance) C4'-P energy: -77.876
bonds (distance) P-C4' energy: -86.239
flat angles C4'-P-C4' energy: -85.893
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -66.385
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: 349
Temperature: 1.300000
Total energy: -912.155962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.155962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.155962 (E_RNA)
where:
Base-Base interactions energy: -571.934
where: short stacking energy: -250.485
Base-Backbone interact. energy: 2.849
local terms energy: -343.070561
where:
bonds (distance) C4'-P energy: -80.408
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -78.214
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -47.531
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: 349
Temperature: 1.350000
Total energy: -856.434237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.434237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.434237 (E_RNA)
where:
Base-Base interactions energy: -541.079
where: short stacking energy: -234.839
Base-Backbone interact. energy: -1.894
local terms energy: -313.460877
where:
bonds (distance) C4'-P energy: -83.213
bonds (distance) P-C4' energy: -74.861
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1841.071688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.071688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.071688 (E_RNA)
where:
Base-Base interactions energy: -1290.216
where: short stacking energy: -546.731
Base-Backbone interact. energy: -1.330
local terms energy: -549.525676
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -94.555
flat angles C4'-P-C4' energy: -114.273
flat angles P-C4'-P energy: -80.874
tors. eta vs tors. theta energy: -162.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1818.199730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.199730 (E_RNA)
where:
Base-Base interactions energy: -1293.262
where: short stacking energy: -535.865
Base-Backbone interact. energy: -2.205
local terms energy: -522.732701
where:
bonds (distance) C4'-P energy: -94.452
bonds (distance) P-C4' energy: -98.103
flat angles C4'-P-C4' energy: -113.430
flat angles P-C4'-P energy: -73.883
tors. eta vs tors. theta energy: -142.864
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1784.626978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.626978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.626978 (E_RNA)
where:
Base-Base interactions energy: -1263.553
where: short stacking energy: -519.185
Base-Backbone interact. energy: -1.878
local terms energy: -519.195692
where:
bonds (distance) C4'-P energy: -86.743
bonds (distance) P-C4' energy: -89.598
flat angles C4'-P-C4' energy: -112.004
flat angles P-C4'-P energy: -77.110
tors. eta vs tors. theta energy: -153.741
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1695.379583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.379583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.379583 (E_RNA)
where:
Base-Base interactions energy: -1189.919
where: short stacking energy: -503.277
Base-Backbone interact. energy: -1.945
local terms energy: -503.515284
where:
bonds (distance) C4'-P energy: -89.783
bonds (distance) P-C4' energy: -98.385
flat angles C4'-P-C4' energy: -100.563
flat angles P-C4'-P energy: -66.095
tors. eta vs tors. theta energy: -148.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1625.170894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.170894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.170894 (E_RNA)
where:
Base-Base interactions energy: -1142.792
where: short stacking energy: -459.055
Base-Backbone interact. energy: -1.304
local terms energy: -481.074386
where:
bonds (distance) C4'-P energy: -93.607
bonds (distance) P-C4' energy: -91.450
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -70.531
tors. eta vs tors. theta energy: -127.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1550.460729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.460729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.460729 (E_RNA)
where:
Base-Base interactions energy: -1080.265
where: short stacking energy: -445.361
Base-Backbone interact. energy: 1.067
local terms energy: -471.263270
where:
bonds (distance) C4'-P energy: -94.798
bonds (distance) P-C4' energy: -90.093
flat angles C4'-P-C4' energy: -96.038
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -123.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1523.802160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.802160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.802160 (E_RNA)
where:
Base-Base interactions energy: -1076.050
where: short stacking energy: -436.529
Base-Backbone interact. energy: -2.494
local terms energy: -445.258434
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -86.184
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -55.637
tors. eta vs tors. theta energy: -116.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1020.366241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.366241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.366241 (E_RNA)
where:
Base-Base interactions energy: -662.409
where: short stacking energy: -296.408
Base-Backbone interact. energy: 3.819
local terms energy: -361.775972
where:
bonds (distance) C4'-P energy: -93.976
bonds (distance) P-C4' energy: -72.698
flat angles C4'-P-C4' energy: -76.570
flat angles P-C4'-P energy: -51.009
tors. eta vs tors. theta energy: -67.523
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: 350
Temperature: 1.300000
Total energy: -966.826275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.826275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.826275 (E_RNA)
where:
Base-Base interactions energy: -630.325
where: short stacking energy: -260.501
Base-Backbone interact. energy: -0.975
local terms energy: -335.526326
where:
bonds (distance) C4'-P energy: -62.555
bonds (distance) P-C4' energy: -92.846
flat angles C4'-P-C4' energy: -81.977
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -49.912
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: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -887.697026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.697026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.697026 (E_RNA)
where:
Base-Base interactions energy: -537.180
where: short stacking energy: -247.232
Base-Backbone interact. energy: 0.269
local terms energy: -350.786303
where:
bonds (distance) C4'-P energy: -84.832
bonds (distance) P-C4' energy: -85.145
flat angles C4'-P-C4' energy: -83.699
flat angles P-C4'-P energy: -54.652
tors. eta vs tors. theta energy: -42.458
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: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1852.180592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.180592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.180592 (E_RNA)
where:
Base-Base interactions energy: -1297.792
where: short stacking energy: -550.847
Base-Backbone interact. energy: -2.306
local terms energy: -552.083057
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -101.267
flat angles C4'-P-C4' energy: -114.791
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -159.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1840.310622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.310622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.310622 (E_RNA)
where:
Base-Base interactions energy: -1298.444
where: short stacking energy: -524.864
Base-Backbone interact. energy: -3.449
local terms energy: -538.418095
where:
bonds (distance) C4'-P energy: -89.604
bonds (distance) P-C4' energy: -97.710
flat angles C4'-P-C4' energy: -113.084
flat angles P-C4'-P energy: -78.243
tors. eta vs tors. theta energy: -159.778
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: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1750.174964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.174964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.174964 (E_RNA)
where:
Base-Base interactions energy: -1229.217
where: short stacking energy: -505.573
Base-Backbone interact. energy: -1.404
local terms energy: -519.554670
where:
bonds (distance) C4'-P energy: -80.380
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -111.885
flat angles P-C4'-P energy: -86.439
tors. eta vs tors. theta energy: -148.630
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1720.025276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.025276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.025276 (E_RNA)
where:
Base-Base interactions energy: -1201.315
where: short stacking energy: -492.943
Base-Backbone interact. energy: 0.090
local terms energy: -518.800690
where:
bonds (distance) C4'-P energy: -92.554
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -108.526
flat angles P-C4'-P energy: -72.936
tors. eta vs tors. theta energy: -152.848
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: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1623.857539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.857539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.857539 (E_RNA)
where:
Base-Base interactions energy: -1139.145
where: short stacking energy: -473.391
Base-Backbone interact. energy: -3.387
local terms energy: -481.326248
where:
bonds (distance) C4'-P energy: -86.697
bonds (distance) P-C4' energy: -90.588
flat angles C4'-P-C4' energy: -98.664
flat angles P-C4'-P energy: -67.510
tors. eta vs tors. theta energy: -137.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1529.040514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.040514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.040514 (E_RNA)
where:
Base-Base interactions energy: -1064.381
where: short stacking energy: -432.044
Base-Backbone interact. energy: -1.182
local terms energy: -463.477919
where:
bonds (distance) C4'-P energy: -84.148
bonds (distance) P-C4' energy: -100.840
flat angles C4'-P-C4' energy: -96.826
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -125.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1508.553515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.553515 (E_RNA)
where:
Base-Base interactions energy: -1068.730
where: short stacking energy: -419.497
Base-Backbone interact. energy: -1.661
local terms energy: -438.162472
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -87.948
flat angles C4'-P-C4' energy: -93.969
flat angles P-C4'-P energy: -62.275
tors. eta vs tors. theta energy: -125.334
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1039.507984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.507984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.507984 (E_RNA)
where:
Base-Base interactions energy: -692.323
where: short stacking energy: -320.803
Base-Backbone interact. energy: 2.224
local terms energy: -349.408431
where:
bonds (distance) C4'-P energy: -78.424
bonds (distance) P-C4' energy: -74.420
flat angles C4'-P-C4' energy: -73.917
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -974.096970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.096970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.096970 (E_RNA)
where:
Base-Base interactions energy: -619.556
where: short stacking energy: -273.294
Base-Backbone interact. energy: -0.702
local terms energy: -353.838586
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -81.625
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -56.423
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: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -907.514837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.514837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.514837 (E_RNA)
where:
Base-Base interactions energy: -587.996
where: short stacking energy: -274.721
Base-Backbone interact. energy: -2.397
local terms energy: -317.122212
where:
bonds (distance) C4'-P energy: -73.912
bonds (distance) P-C4' energy: -79.428
flat angles C4'-P-C4' energy: -70.356
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -64.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1891.214885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.214885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.214885 (E_RNA)
where:
Base-Base interactions energy: -1335.828
where: short stacking energy: -543.982
Base-Backbone interact. energy: -4.426
local terms energy: -550.961813
where:
bonds (distance) C4'-P energy: -84.769
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -117.510
flat angles P-C4'-P energy: -88.602
tors. eta vs tors. theta energy: -154.843
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: 352
Temperature: 0.950000
Total energy: -1837.281388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.281388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.281388 (E_RNA)
where:
Base-Base interactions energy: -1274.137
where: short stacking energy: -540.569
Base-Backbone interact. energy: -1.074
local terms energy: -562.071126
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -104.561
flat angles C4'-P-C4' energy: -117.522
flat angles P-C4'-P energy: -83.825
tors. eta vs tors. theta energy: -156.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1742.683576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.683576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.683576 (E_RNA)
where:
Base-Base interactions energy: -1233.797
where: short stacking energy: -504.290
Base-Backbone interact. energy: -1.396
local terms energy: -507.490609
where:
bonds (distance) C4'-P energy: -93.526
bonds (distance) P-C4' energy: -93.715
flat angles C4'-P-C4' energy: -107.529
flat angles P-C4'-P energy: -65.644
tors. eta vs tors. theta energy: -147.075
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1719.960701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.960701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.960701 (E_RNA)
where:
Base-Base interactions energy: -1213.588
where: short stacking energy: -487.031
Base-Backbone interact. energy: -3.069
local terms energy: -503.304112
where:
bonds (distance) C4'-P energy: -86.519
bonds (distance) P-C4' energy: -91.770
flat angles C4'-P-C4' energy: -110.134
flat angles P-C4'-P energy: -70.273
tors. eta vs tors. theta energy: -144.609
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1656.450759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.450759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.450759 (E_RNA)
where:
Base-Base interactions energy: -1178.567
where: short stacking energy: -483.831
Base-Backbone interact. energy: -0.618
local terms energy: -477.266101
where:
bonds (distance) C4'-P energy: -94.415
bonds (distance) P-C4' energy: -78.939
flat angles C4'-P-C4' energy: -93.158
flat angles P-C4'-P energy: -77.668
tors. eta vs tors. theta energy: -133.086
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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1507.671080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.671080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.671080 (E_RNA)
where:
Base-Base interactions energy: -1058.031
where: short stacking energy: -430.900
Base-Backbone interact. energy: -1.254
local terms energy: -448.386451
where:
bonds (distance) C4'-P energy: -68.882
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -97.017
flat angles P-C4'-P energy: -72.627
tors. eta vs tors. theta energy: -114.776
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: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1498.234779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.234779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.234779 (E_RNA)
where:
Base-Base interactions energy: -1037.621
where: short stacking energy: -442.390
Base-Backbone interact. energy: -1.769
local terms energy: -458.844654
where:
bonds (distance) C4'-P energy: -83.495
bonds (distance) P-C4' energy: -80.621
flat angles C4'-P-C4' energy: -102.050
flat angles P-C4'-P energy: -64.282
tors. eta vs tors. theta energy: -128.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1048.586943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.586943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.586943 (E_RNA)
where:
Base-Base interactions energy: -699.174
where: short stacking energy: -323.600
Base-Backbone interact. energy: -0.061
local terms energy: -349.351822
where:
bonds (distance) C4'-P energy: -65.217
bonds (distance) P-C4' energy: -73.126
flat angles C4'-P-C4' energy: -92.182
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -66.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -948.830608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.830608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.830608 (E_RNA)
where:
Base-Base interactions energy: -629.556
where: short stacking energy: -277.571
Base-Backbone interact. energy: -2.016
local terms energy: -317.258277
where:
bonds (distance) C4'-P energy: -59.618
bonds (distance) P-C4' energy: -75.169
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -826.232613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.232613 (E_RNA)
where:
Base-Base interactions energy: -500.028
where: short stacking energy: -230.998
Base-Backbone interact. energy: -2.022
local terms energy: -324.182057
where:
bonds (distance) C4'-P energy: -95.812
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1866.676920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.676920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.676920 (E_RNA)
where:
Base-Base interactions energy: -1309.250
where: short stacking energy: -550.744
Base-Backbone interact. energy: 0.347
local terms energy: -557.774158
where:
bonds (distance) C4'-P energy: -100.121
bonds (distance) P-C4' energy: -100.470
flat angles C4'-P-C4' energy: -113.730
flat angles P-C4'-P energy: -82.516
tors. eta vs tors. theta energy: -160.937
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: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1825.158349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.158349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.158349 (E_RNA)
where:
Base-Base interactions energy: -1288.193
where: short stacking energy: -549.157
Base-Backbone interact. energy: -0.634
local terms energy: -536.330998
where:
bonds (distance) C4'-P energy: -78.721
bonds (distance) P-C4' energy: -102.210
flat angles C4'-P-C4' energy: -111.087
flat angles P-C4'-P energy: -74.621
tors. eta vs tors. theta energy: -169.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1767.803463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.803463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.803463 (E_RNA)
where:
Base-Base interactions energy: -1279.716
where: short stacking energy: -512.237
Base-Backbone interact. energy: -1.244
local terms energy: -486.842933
where:
bonds (distance) C4'-P energy: -81.354
bonds (distance) P-C4' energy: -84.701
flat angles C4'-P-C4' energy: -110.328
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -140.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1725.993502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.993502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.993502 (E_RNA)
where:
Base-Base interactions energy: -1221.641
where: short stacking energy: -493.475
Base-Backbone interact. energy: -2.284
local terms energy: -502.068267
where:
bonds (distance) C4'-P energy: -89.108
bonds (distance) P-C4' energy: -93.971
flat angles C4'-P-C4' energy: -101.777
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -144.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1674.789837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.789837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.789837 (E_RNA)
where:
Base-Base interactions energy: -1188.983
where: short stacking energy: -477.589
Base-Backbone interact. energy: -1.661
local terms energy: -484.145875
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -95.237
flat angles C4'-P-C4' energy: -101.809
flat angles P-C4'-P energy: -64.701
tors. eta vs tors. theta energy: -139.204
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: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1586.532577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.532577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.532577 (E_RNA)
where:
Base-Base interactions energy: -1099.983
where: short stacking energy: -434.559
Base-Backbone interact. energy: -2.009
local terms energy: -484.540204
where:
bonds (distance) C4'-P energy: -89.177
bonds (distance) P-C4' energy: -99.921
flat angles C4'-P-C4' energy: -101.467
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -121.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1498.233290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.233290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.233290 (E_RNA)
where:
Base-Base interactions energy: -1058.644
where: short stacking energy: -416.943
Base-Backbone interact. energy: 3.528
local terms energy: -443.117864
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -90.288
flat angles C4'-P-C4' energy: -88.857
flat angles P-C4'-P energy: -63.831
tors. eta vs tors. theta energy: -114.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1120.808663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.808663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.808663 (E_RNA)
where:
Base-Base interactions energy: -715.460
where: short stacking energy: -316.616
Base-Backbone interact. energy: -1.116
local terms energy: -404.232864
where:
bonds (distance) C4'-P energy: -90.624
bonds (distance) P-C4' energy: -82.619
flat angles C4'-P-C4' energy: -95.784
flat angles P-C4'-P energy: -64.692
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -995.854156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.854156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.854156 (E_RNA)
where:
Base-Base interactions energy: -649.942
where: short stacking energy: -315.811
Base-Backbone interact. energy: -0.708
local terms energy: -345.204295
where:
bonds (distance) C4'-P energy: -57.449
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -52.049
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: 353
Temperature: 1.350000
Total energy: -831.953263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.953263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.953263 (E_RNA)
where:
Base-Base interactions energy: -501.532
where: short stacking energy: -214.330
Base-Backbone interact. energy: -0.552
local terms energy: -329.868836
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -91.008
flat angles C4'-P-C4' energy: -79.334
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -33.202
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: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1859.734110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.734110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.734110 (E_RNA)
where:
Base-Base interactions energy: -1311.441
where: short stacking energy: -532.874
Base-Backbone interact. energy: -1.288
local terms energy: -547.004896
where:
bonds (distance) C4'-P energy: -89.884
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -119.267
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -157.230
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: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1848.123461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.123461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.123461 (E_RNA)
where:
Base-Base interactions energy: -1288.826
where: short stacking energy: -569.790
Base-Backbone interact. energy: -0.336
local terms energy: -558.961150
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -103.049
flat angles C4'-P-C4' energy: -122.794
flat angles P-C4'-P energy: -79.931
tors. eta vs tors. theta energy: -157.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1754.254834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.254834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.254834 (E_RNA)
where:
Base-Base interactions energy: -1237.983
where: short stacking energy: -497.225
Base-Backbone interact. energy: -3.067
local terms energy: -513.205332
where:
bonds (distance) C4'-P energy: -83.345
bonds (distance) P-C4' energy: -92.973
flat angles C4'-P-C4' energy: -118.170
flat angles P-C4'-P energy: -71.543
tors. eta vs tors. theta energy: -147.173
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: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1728.688513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.688513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.688513 (E_RNA)
where:
Base-Base interactions energy: -1205.903
where: short stacking energy: -488.716
Base-Backbone interact. energy: -0.886
local terms energy: -521.899336
where:
bonds (distance) C4'-P energy: -93.862
bonds (distance) P-C4' energy: -91.078
flat angles C4'-P-C4' energy: -113.589
flat angles P-C4'-P energy: -76.021
tors. eta vs tors. theta energy: -147.350
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1679.935024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.935024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.935024 (E_RNA)
where:
Base-Base interactions energy: -1194.793
where: short stacking energy: -486.822
Base-Backbone interact. energy: -0.049
local terms energy: -485.092595
where:
bonds (distance) C4'-P energy: -74.043
bonds (distance) P-C4' energy: -88.728
flat angles C4'-P-C4' energy: -109.261
flat angles P-C4'-P energy: -72.061
tors. eta vs tors. theta energy: -141.000
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: 354
Temperature: 1.150000
Total energy: -1537.547582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.547582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.547582 (E_RNA)
where:
Base-Base interactions energy: -1091.696
where: short stacking energy: -461.958
Base-Backbone interact. energy: -0.729
local terms energy: -445.122020
where:
bonds (distance) C4'-P energy: -70.916
bonds (distance) P-C4' energy: -87.840
flat angles C4'-P-C4' energy: -98.343
flat angles P-C4'-P energy: -65.401
tors. eta vs tors. theta energy: -122.622
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: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1453.519461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.519461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.519461 (E_RNA)
where:
Base-Base interactions energy: -1014.666
where: short stacking energy: -404.982
Base-Backbone interact. energy: 4.421
local terms energy: -443.274037
where:
bonds (distance) C4'-P energy: -64.904
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -97.522
flat angles P-C4'-P energy: -60.762
tors. eta vs tors. theta energy: -119.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1110.627358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.627358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.627358 (E_RNA)
where:
Base-Base interactions energy: -762.426
where: short stacking energy: -337.415
Base-Backbone interact. energy: 2.820
local terms energy: -351.021293
where:
bonds (distance) C4'-P energy: -63.998
bonds (distance) P-C4' energy: -75.229
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -79.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -963.033141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.033141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.033141 (E_RNA)
where:
Base-Base interactions energy: -619.284
where: short stacking energy: -265.551
Base-Backbone interact. energy: 4.823
local terms energy: -348.572599
where:
bonds (distance) C4'-P energy: -72.675
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -80.761
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -56.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -791.095515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.095515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.095515 (E_RNA)
where:
Base-Base interactions energy: -492.468
where: short stacking energy: -229.243
Base-Backbone interact. energy: -0.271
local terms energy: -298.355912
where:
bonds (distance) C4'-P energy: -81.125
bonds (distance) P-C4' energy: -69.321
flat angles C4'-P-C4' energy: -71.091
flat angles P-C4'-P energy: -43.738
tors. eta vs tors. theta energy: -33.080
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: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1887.783980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.783980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.783980 (E_RNA)
where:
Base-Base interactions energy: -1338.649
where: short stacking energy: -544.647
Base-Backbone interact. energy: -1.693
local terms energy: -547.441588
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -114.263
flat angles P-C4'-P energy: -79.871
tors. eta vs tors. theta energy: -154.551
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: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1799.514690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.514690 (E_RNA)
where:
Base-Base interactions energy: -1239.752
where: short stacking energy: -540.154
Base-Backbone interact. energy: -0.944
local terms energy: -558.818577
where:
bonds (distance) C4'-P energy: -94.256
bonds (distance) P-C4' energy: -97.439
flat angles C4'-P-C4' energy: -113.702
flat angles P-C4'-P energy: -87.868
tors. eta vs tors. theta energy: -165.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1757.080882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.080882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.080882 (E_RNA)
where:
Base-Base interactions energy: -1229.479
where: short stacking energy: -517.014
Base-Backbone interact. energy: -1.407
local terms energy: -526.194905
where:
bonds (distance) C4'-P energy: -95.900
bonds (distance) P-C4' energy: -91.914
flat angles C4'-P-C4' energy: -116.682
flat angles P-C4'-P energy: -71.038
tors. eta vs tors. theta energy: -150.662
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: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1707.187868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.187868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.187868 (E_RNA)
where:
Base-Base interactions energy: -1220.553
where: short stacking energy: -483.874
Base-Backbone interact. energy: -1.359
local terms energy: -485.275810
where:
bonds (distance) C4'-P energy: -87.694
bonds (distance) P-C4' energy: -83.507
flat angles C4'-P-C4' energy: -98.635
flat angles P-C4'-P energy: -79.786
tors. eta vs tors. theta energy: -135.653
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: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1660.410724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.410724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.410724 (E_RNA)
where:
Base-Base interactions energy: -1176.898
where: short stacking energy: -469.775
Base-Backbone interact. energy: -1.494
local terms energy: -482.019471
where:
bonds (distance) C4'-P energy: -74.827
bonds (distance) P-C4' energy: -91.621
flat angles C4'-P-C4' energy: -97.170
flat angles P-C4'-P energy: -72.308
tors. eta vs tors. theta energy: -146.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1573.520581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.520581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.520581 (E_RNA)
where:
Base-Base interactions energy: -1127.451
where: short stacking energy: -446.040
Base-Backbone interact. energy: 2.761
local terms energy: -448.830666
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -75.586
flat angles C4'-P-C4' energy: -95.658
flat angles P-C4'-P energy: -73.986
tors. eta vs tors. theta energy: -138.949
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1427.480184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.480184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.480184 (E_RNA)
where:
Base-Base interactions energy: -995.516
where: short stacking energy: -429.171
Base-Backbone interact. energy: -2.554
local terms energy: -429.411139
where:
bonds (distance) C4'-P energy: -87.665
bonds (distance) P-C4' energy: -80.899
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -60.593
tors. eta vs tors. theta energy: -111.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1106.288303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.288303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.288303 (E_RNA)
where:
Base-Base interactions energy: -730.843
where: short stacking energy: -318.229
Base-Backbone interact. energy: -1.360
local terms energy: -374.085695
where:
bonds (distance) C4'-P energy: -89.254
bonds (distance) P-C4' energy: -77.892
flat angles C4'-P-C4' energy: -87.499
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: -65.562
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: 355
Temperature: 1.300000
Total energy: -961.133116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.133116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.133116 (E_RNA)
where:
Base-Base interactions energy: -615.434
where: short stacking energy: -265.378
Base-Backbone interact. energy: -2.753
local terms energy: -342.946603
where:
bonds (distance) C4'-P energy: -83.292
bonds (distance) P-C4' energy: -92.416
flat angles C4'-P-C4' energy: -76.811
flat angles P-C4'-P energy: -61.492
tors. eta vs tors. theta energy: -28.935
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: 355
Temperature: 1.350000
Total energy: -889.215675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.215675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.215675 (E_RNA)
where:
Base-Base interactions energy: -550.288
where: short stacking energy: -230.423
Base-Backbone interact. energy: 0.574
local terms energy: -339.501684
where:
bonds (distance) C4'-P energy: -93.849
bonds (distance) P-C4' energy: -69.606
flat angles C4'-P-C4' energy: -86.085
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1870.454035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.454035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.454035 (E_RNA)
where:
Base-Base interactions energy: -1315.596
where: short stacking energy: -544.851
Base-Backbone interact. energy: -3.985
local terms energy: -550.872506
where:
bonds (distance) C4'-P energy: -94.280
bonds (distance) P-C4' energy: -94.930
flat angles C4'-P-C4' energy: -116.293
flat angles P-C4'-P energy: -86.108
tors. eta vs tors. theta energy: -159.261
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: 356
Temperature: 0.950000
Total energy: -1811.889970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.889970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.889970 (E_RNA)
where:
Base-Base interactions energy: -1293.809
where: short stacking energy: -542.217
Base-Backbone interact. energy: -0.599
local terms energy: -517.481446
where:
bonds (distance) C4'-P energy: -90.504
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -75.428
tors. eta vs tors. theta energy: -157.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1750.292497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.292497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.292497 (E_RNA)
where:
Base-Base interactions energy: -1251.342
where: short stacking energy: -511.422
Base-Backbone interact. energy: -0.797
local terms energy: -498.152965
where:
bonds (distance) C4'-P energy: -75.474
bonds (distance) P-C4' energy: -78.383
flat angles C4'-P-C4' energy: -119.332
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -149.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1704.670286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.670286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.670286 (E_RNA)
where:
Base-Base interactions energy: -1186.626
where: short stacking energy: -473.885
Base-Backbone interact. energy: -2.131
local terms energy: -515.913596
where:
bonds (distance) C4'-P energy: -93.952
bonds (distance) P-C4' energy: -94.867
flat angles C4'-P-C4' energy: -109.401
flat angles P-C4'-P energy: -71.388
tors. eta vs tors. theta energy: -146.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1599.731626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.731626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.731626 (E_RNA)
where:
Base-Base interactions energy: -1120.965
where: short stacking energy: -457.690
Base-Backbone interact. energy: -1.604
local terms energy: -477.163099
where:
bonds (distance) C4'-P energy: -82.327
bonds (distance) P-C4' energy: -85.615
flat angles C4'-P-C4' energy: -109.092
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -134.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1594.847447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.847447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.847447 (E_RNA)
where:
Base-Base interactions energy: -1144.313
where: short stacking energy: -487.038
Base-Backbone interact. energy: -2.028
local terms energy: -448.506233
where:
bonds (distance) C4'-P energy: -79.158
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -98.889
flat angles P-C4'-P energy: -55.929
tors. eta vs tors. theta energy: -135.513
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: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1498.292821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.292821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.292821 (E_RNA)
where:
Base-Base interactions energy: -1024.535
where: short stacking energy: -438.192
Base-Backbone interact. energy: -2.417
local terms energy: -471.340653
where:
bonds (distance) C4'-P energy: -90.068
bonds (distance) P-C4' energy: -83.239
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -72.322
tors. eta vs tors. theta energy: -125.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1062.514945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.514945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.514945 (E_RNA)
where:
Base-Base interactions energy: -698.876
where: short stacking energy: -301.563
Base-Backbone interact. energy: 1.401
local terms energy: -365.040182
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -93.606
flat angles P-C4'-P energy: -46.665
tors. eta vs tors. theta energy: -60.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -939.729225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.729225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.729225 (E_RNA)
where:
Base-Base interactions energy: -613.126
where: short stacking energy: -274.648
Base-Backbone interact. energy: 7.679
local terms energy: -334.282298
where:
bonds (distance) C4'-P energy: -73.539
bonds (distance) P-C4' energy: -68.134
flat angles C4'-P-C4' energy: -69.916
flat angles P-C4'-P energy: -60.892
tors. eta vs tors. theta energy: -61.801
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: 356
Temperature: 1.350000
Total energy: -763.142676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.142676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.142676 (E_RNA)
where:
Base-Base interactions energy: -463.558
where: short stacking energy: -205.195
Base-Backbone interact. energy: 2.110
local terms energy: -301.694527
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -73.391
flat angles C4'-P-C4' energy: -75.868
flat angles P-C4'-P energy: -54.107
tors. eta vs tors. theta energy: -19.423
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1859.866404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.866404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.866404 (E_RNA)
where:
Base-Base interactions energy: -1329.168
where: short stacking energy: -543.994
Base-Backbone interact. energy: -1.125
local terms energy: -529.573279
where:
bonds (distance) C4'-P energy: -92.293
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -112.721
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -154.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1795.643567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.643567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.643567 (E_RNA)
where:
Base-Base interactions energy: -1263.234
where: short stacking energy: -535.315
Base-Backbone interact. energy: -2.142
local terms energy: -530.267086
where:
bonds (distance) C4'-P energy: -96.283
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -109.383
flat angles P-C4'-P energy: -71.699
tors. eta vs tors. theta energy: -159.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1745.724158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.724158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.724158 (E_RNA)
where:
Base-Base interactions energy: -1223.267
where: short stacking energy: -512.173
Base-Backbone interact. energy: 0.959
local terms energy: -523.415850
where:
bonds (distance) C4'-P energy: -88.410
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -77.300
tors. eta vs tors. theta energy: -153.969
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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1638.275476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.275476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.275476 (E_RNA)
where:
Base-Base interactions energy: -1129.104
where: short stacking energy: -461.233
Base-Backbone interact. energy: -2.649
local terms energy: -506.523257
where:
bonds (distance) C4'-P energy: -96.786
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -73.824
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: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1635.510881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.510881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.510881 (E_RNA)
where:
Base-Base interactions energy: -1164.686
where: short stacking energy: -522.131
Base-Backbone interact. energy: -0.826
local terms energy: -469.999165
where:
bonds (distance) C4'-P energy: -78.033
bonds (distance) P-C4' energy: -80.849
flat angles C4'-P-C4' energy: -114.239
flat angles P-C4'-P energy: -65.994
tors. eta vs tors. theta energy: -130.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1559.172136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.172136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.172136 (E_RNA)
where:
Base-Base interactions energy: -1095.828
where: short stacking energy: -470.798
Base-Backbone interact. energy: -0.647
local terms energy: -462.697422
where:
bonds (distance) C4'-P energy: -76.691
bonds (distance) P-C4' energy: -93.428
flat angles C4'-P-C4' energy: -100.067
flat angles P-C4'-P energy: -59.891
tors. eta vs tors. theta energy: -132.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1465.719536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.719536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.719536 (E_RNA)
where:
Base-Base interactions energy: -1011.334
where: short stacking energy: -433.597
Base-Backbone interact. energy: -1.198
local terms energy: -453.187417
where:
bonds (distance) C4'-P energy: -78.537
bonds (distance) P-C4' energy: -83.449
flat angles C4'-P-C4' energy: -99.002
flat angles P-C4'-P energy: -65.722
tors. eta vs tors. theta energy: -126.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1001.797857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.797857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.797857 (E_RNA)
where:
Base-Base interactions energy: -640.788
where: short stacking energy: -292.914
Base-Backbone interact. energy: -2.862
local terms energy: -358.148241
where:
bonds (distance) C4'-P energy: -71.634
bonds (distance) P-C4' energy: -78.477
flat angles C4'-P-C4' energy: -97.853
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -947.383390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.383390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.383390 (E_RNA)
where:
Base-Base interactions energy: -616.677
where: short stacking energy: -284.056
Base-Backbone interact. energy: 0.223
local terms energy: -330.928822
where:
bonds (distance) C4'-P energy: -77.544
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -56.361
tors. eta vs tors. theta energy: -46.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -747.772688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.772688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.772688 (E_RNA)
where:
Base-Base interactions energy: -440.534
where: short stacking energy: -195.399
Base-Backbone interact. energy: -2.430
local terms energy: -304.808435
where:
bonds (distance) C4'-P energy: -71.391
bonds (distance) P-C4' energy: -67.090
flat angles C4'-P-C4' energy: -88.549
flat angles P-C4'-P energy: -58.710
tors. eta vs tors. theta energy: -19.069
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: 358
Temperature: 0.900000
Total energy: -1847.420148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.420148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.420148 (E_RNA)
where:
Base-Base interactions energy: -1329.817
where: short stacking energy: -537.791
Base-Backbone interact. energy: -0.508
local terms energy: -517.095013
where:
bonds (distance) C4'-P energy: -88.570
bonds (distance) P-C4' energy: -93.271
flat angles C4'-P-C4' energy: -110.609
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -146.843
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: 358
Temperature: 0.950000
Total energy: -1822.011289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.011289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.011289 (E_RNA)
where:
Base-Base interactions energy: -1276.726
where: short stacking energy: -534.574
Base-Backbone interact. energy: 4.089
local terms energy: -549.374675
where:
bonds (distance) C4'-P energy: -92.301
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -118.930
flat angles P-C4'-P energy: -74.896
tors. eta vs tors. theta energy: -160.755
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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1749.494996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.494996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.494996 (E_RNA)
where:
Base-Base interactions energy: -1234.791
where: short stacking energy: -500.901
Base-Backbone interact. energy: -1.508
local terms energy: -513.195879
where:
bonds (distance) C4'-P energy: -98.022
bonds (distance) P-C4' energy: -83.640
flat angles C4'-P-C4' energy: -110.750
flat angles P-C4'-P energy: -75.926
tors. eta vs tors. theta energy: -144.858
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1699.840292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.840292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.840292 (E_RNA)
where:
Base-Base interactions energy: -1203.585
where: short stacking energy: -506.208
Base-Backbone interact. energy: -0.561
local terms energy: -495.694325
where:
bonds (distance) C4'-P energy: -80.259
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -109.355
flat angles P-C4'-P energy: -64.923
tors. eta vs tors. theta energy: -142.619
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1651.828549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.828549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.828549 (E_RNA)
where:
Base-Base interactions energy: -1177.695
where: short stacking energy: -457.042
Base-Backbone interact. energy: -3.526
local terms energy: -470.607547
where:
bonds (distance) C4'-P energy: -83.112
bonds (distance) P-C4' energy: -89.904
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -66.297
tors. eta vs tors. theta energy: -126.811
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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1619.209129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.209129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.209129 (E_RNA)
where:
Base-Base interactions energy: -1127.436
where: short stacking energy: -461.022
Base-Backbone interact. energy: -2.605
local terms energy: -489.168508
where:
bonds (distance) C4'-P energy: -88.204
bonds (distance) P-C4' energy: -86.944
flat angles C4'-P-C4' energy: -108.327
flat angles P-C4'-P energy: -72.500
tors. eta vs tors. theta energy: -133.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1465.373371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.373371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.373371 (E_RNA)
where:
Base-Base interactions energy: -1012.703
where: short stacking energy: -440.583
Base-Backbone interact. energy: 0.478
local terms energy: -453.147886
where:
bonds (distance) C4'-P energy: -87.773
bonds (distance) P-C4' energy: -98.679
flat angles C4'-P-C4' energy: -83.420
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -113.691
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: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1012.832164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.832164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.832164 (E_RNA)
where:
Base-Base interactions energy: -666.846
where: short stacking energy: -298.087
Base-Backbone interact. energy: 0.685
local terms energy: -346.670781
where:
bonds (distance) C4'-P energy: -67.009
bonds (distance) P-C4' energy: -77.726
flat angles C4'-P-C4' energy: -89.088
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -61.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -948.541831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.541831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.541831 (E_RNA)
where:
Base-Base interactions energy: -619.017
where: short stacking energy: -282.093
Base-Backbone interact. energy: 4.000
local terms energy: -333.524659
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -87.139
flat angles C4'-P-C4' energy: -87.560
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: -57.778
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: 358
Temperature: 1.350000
Total energy: -745.673365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.673365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.673365 (E_RNA)
where:
Base-Base interactions energy: -454.056
where: short stacking energy: -211.140
Base-Backbone interact. energy: -1.792
local terms energy: -289.825992
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -71.078
flat angles C4'-P-C4' energy: -65.299
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1861.685560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.685560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.685560 (E_RNA)
where:
Base-Base interactions energy: -1322.577
where: short stacking energy: -523.254
Base-Backbone interact. energy: -4.050
local terms energy: -535.058298
where:
bonds (distance) C4'-P energy: -86.678
bonds (distance) P-C4' energy: -94.020
flat angles C4'-P-C4' energy: -106.878
flat angles P-C4'-P energy: -90.685
tors. eta vs tors. theta energy: -156.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1833.794726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.794726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.794726 (E_RNA)
where:
Base-Base interactions energy: -1281.232
where: short stacking energy: -538.433
Base-Backbone interact. energy: -2.072
local terms energy: -550.490859
where:
bonds (distance) C4'-P energy: -98.683
bonds (distance) P-C4' energy: -99.087
flat angles C4'-P-C4' energy: -108.677
flat angles P-C4'-P energy: -84.485
tors. eta vs tors. theta energy: -159.559
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: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1732.562312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.562312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.562312 (E_RNA)
where:
Base-Base interactions energy: -1230.834
where: short stacking energy: -488.384
Base-Backbone interact. energy: -2.270
local terms energy: -499.458772
where:
bonds (distance) C4'-P energy: -92.260
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -102.731
flat angles P-C4'-P energy: -73.711
tors. eta vs tors. theta energy: -142.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1692.650216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.650216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.650216 (E_RNA)
where:
Base-Base interactions energy: -1205.744
where: short stacking energy: -500.596
Base-Backbone interact. energy: 0.990
local terms energy: -487.896274
where:
bonds (distance) C4'-P energy: -88.688
bonds (distance) P-C4' energy: -84.313
flat angles C4'-P-C4' energy: -104.700
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -136.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1626.167565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.167565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.167565 (E_RNA)
where:
Base-Base interactions energy: -1144.242
where: short stacking energy: -475.418
Base-Backbone interact. energy: 0.431
local terms energy: -482.356805
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -86.255
flat angles C4'-P-C4' energy: -98.361
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -133.646
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: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1594.615801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.615801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.615801 (E_RNA)
where:
Base-Base interactions energy: -1134.696
where: short stacking energy: -454.792
Base-Backbone interact. energy: -0.185
local terms energy: -459.734399
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -83.674
flat angles C4'-P-C4' energy: -89.631
flat angles P-C4'-P energy: -75.243
tors. eta vs tors. theta energy: -129.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1462.403636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.403636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.403636 (E_RNA)
where:
Base-Base interactions energy: -1005.293
where: short stacking energy: -422.242
Base-Backbone interact. energy: -1.542
local terms energy: -455.568117
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -85.824
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -64.097
tors. eta vs tors. theta energy: -118.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -977.551786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.551786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.551786 (E_RNA)
where:
Base-Base interactions energy: -626.233
where: short stacking energy: -275.064
Base-Backbone interact. energy: -1.206
local terms energy: -350.112361
where:
bonds (distance) C4'-P energy: -66.248
bonds (distance) P-C4' energy: -80.626
flat angles C4'-P-C4' energy: -84.838
flat angles P-C4'-P energy: -59.588
tors. eta vs tors. theta energy: -58.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -952.054334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.054334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.054334 (E_RNA)
where:
Base-Base interactions energy: -635.434
where: short stacking energy: -298.565
Base-Backbone interact. energy: 2.235
local terms energy: -318.855210
where:
bonds (distance) C4'-P energy: -73.783
bonds (distance) P-C4' energy: -72.438
flat angles C4'-P-C4' energy: -72.249
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -56.295
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -737.445210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.445210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.445210 (E_RNA)
where:
Base-Base interactions energy: -440.878
where: short stacking energy: -211.460
Base-Backbone interact. energy: 2.690
local terms energy: -299.257836
where:
bonds (distance) C4'-P energy: -83.799
bonds (distance) P-C4' energy: -70.818
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -26.825
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1859.455567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.455567 (E_RNA)
where:
Base-Base interactions energy: -1318.361
where: short stacking energy: -542.670
Base-Backbone interact. energy: -3.532
local terms energy: -537.562720
where:
bonds (distance) C4'-P energy: -99.970
bonds (distance) P-C4' energy: -105.582
flat angles C4'-P-C4' energy: -105.879
flat angles P-C4'-P energy: -69.694
tors. eta vs tors. theta energy: -156.438
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: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1819.899094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.899094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.899094 (E_RNA)
where:
Base-Base interactions energy: -1265.831
where: short stacking energy: -525.423
Base-Backbone interact. energy: -2.304
local terms energy: -551.763359
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -99.062
flat angles C4'-P-C4' energy: -114.486
flat angles P-C4'-P energy: -78.368
tors. eta vs tors. theta energy: -160.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1748.413600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.413600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.413600 (E_RNA)
where:
Base-Base interactions energy: -1244.194
where: short stacking energy: -503.100
Base-Backbone interact. energy: 0.221
local terms energy: -504.439912
where:
bonds (distance) C4'-P energy: -90.791
bonds (distance) P-C4' energy: -93.104
flat angles C4'-P-C4' energy: -104.342
flat angles P-C4'-P energy: -79.851
tors. eta vs tors. theta energy: -136.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1705.248606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.248606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.248606 (E_RNA)
where:
Base-Base interactions energy: -1215.270
where: short stacking energy: -486.453
Base-Backbone interact. energy: -1.046
local terms energy: -488.933286
where:
bonds (distance) C4'-P energy: -80.678
bonds (distance) P-C4' energy: -83.922
flat angles C4'-P-C4' energy: -104.065
flat angles P-C4'-P energy: -70.897
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: 360
Temperature: 1.100000
Total energy: -1626.657633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.657633 (E_RNA)
where:
Base-Base interactions energy: -1145.024
where: short stacking energy: -476.853
Base-Backbone interact. energy: -1.191
local terms energy: -480.442712
where:
bonds (distance) C4'-P energy: -82.190
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -94.926
flat angles P-C4'-P energy: -73.499
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: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1590.687243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.687243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.687243 (E_RNA)
where:
Base-Base interactions energy: -1122.834
where: short stacking energy: -474.716
Base-Backbone interact. energy: 0.194
local terms energy: -468.047347
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -75.340
flat angles C4'-P-C4' energy: -109.882
flat angles P-C4'-P energy: -66.912
tors. eta vs tors. theta energy: -131.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1485.179269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.179269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.179269 (E_RNA)
where:
Base-Base interactions energy: -1029.158
where: short stacking energy: -426.591
Base-Backbone interact. energy: -0.853
local terms energy: -455.168653
where:
bonds (distance) C4'-P energy: -88.094
bonds (distance) P-C4' energy: -92.676
flat angles C4'-P-C4' energy: -93.581
flat angles P-C4'-P energy: -69.115
tors. eta vs tors. theta energy: -111.702
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: 360
Temperature: 1.250000
Total energy: -1005.943627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.943627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.943627 (E_RNA)
where:
Base-Base interactions energy: -631.906
where: short stacking energy: -271.212
Base-Backbone interact. energy: 2.660
local terms energy: -376.697323
where:
bonds (distance) C4'-P energy: -77.450
bonds (distance) P-C4' energy: -85.289
flat angles C4'-P-C4' energy: -88.733
flat angles P-C4'-P energy: -55.078
tors. eta vs tors. theta energy: -70.147
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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -946.301218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.301218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.301218 (E_RNA)
where:
Base-Base interactions energy: -592.704
where: short stacking energy: -265.056
Base-Backbone interact. energy: -0.837
local terms energy: -352.760442
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -89.645
flat angles C4'-P-C4' energy: -76.088
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -59.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -782.811826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.811826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.811826 (E_RNA)
where:
Base-Base interactions energy: -464.354
where: short stacking energy: -184.959
Base-Backbone interact. energy: -1.937
local terms energy: -316.521309
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -85.795
flat angles C4'-P-C4' energy: -87.610
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1859.397066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.397066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.397066 (E_RNA)
where:
Base-Base interactions energy: -1303.435
where: short stacking energy: -545.790
Base-Backbone interact. energy: -1.979
local terms energy: -553.982498
where:
bonds (distance) C4'-P energy: -95.766
bonds (distance) P-C4' energy: -100.055
flat angles C4'-P-C4' energy: -113.298
flat angles P-C4'-P energy: -83.797
tors. eta vs tors. theta energy: -161.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1808.587298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.587298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.587298 (E_RNA)
where:
Base-Base interactions energy: -1277.781
where: short stacking energy: -532.614
Base-Backbone interact. energy: -3.390
local terms energy: -527.415725
where:
bonds (distance) C4'-P energy: -90.539
bonds (distance) P-C4' energy: -94.643
flat angles C4'-P-C4' energy: -114.505
flat angles P-C4'-P energy: -72.284
tors. eta vs tors. theta energy: -155.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1743.530267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.530267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.530267 (E_RNA)
where:
Base-Base interactions energy: -1215.167
where: short stacking energy: -502.742
Base-Backbone interact. energy: -2.583
local terms energy: -525.780140
where:
bonds (distance) C4'-P energy: -99.910
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -111.451
flat angles P-C4'-P energy: -77.707
tors. eta vs tors. theta energy: -144.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1706.408239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.408239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.408239 (E_RNA)
where:
Base-Base interactions energy: -1225.732
where: short stacking energy: -509.674
Base-Backbone interact. energy: -1.480
local terms energy: -479.196353
where:
bonds (distance) C4'-P energy: -79.353
bonds (distance) P-C4' energy: -83.110
flat angles C4'-P-C4' energy: -102.216
flat angles P-C4'-P energy: -75.266
tors. eta vs tors. theta energy: -139.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1611.090188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.090188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.090188 (E_RNA)
where:
Base-Base interactions energy: -1114.486
where: short stacking energy: -485.237
Base-Backbone interact. energy: -2.221
local terms energy: -494.382760
where:
bonds (distance) C4'-P energy: -84.273
bonds (distance) P-C4' energy: -84.670
flat angles C4'-P-C4' energy: -112.566
flat angles P-C4'-P energy: -69.654
tors. eta vs tors. theta energy: -143.220
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1572.456162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.456162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.456162 (E_RNA)
where:
Base-Base interactions energy: -1099.520
where: short stacking energy: -466.966
Base-Backbone interact. energy: 1.245
local terms energy: -474.181746
where:
bonds (distance) C4'-P energy: -84.525
bonds (distance) P-C4' energy: -79.231
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -76.239
tors. eta vs tors. theta energy: -131.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1437.250551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.250551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.250551 (E_RNA)
where:
Base-Base interactions energy: -1019.327
where: short stacking energy: -396.466
Base-Backbone interact. energy: 4.400
local terms energy: -422.323641
where:
bonds (distance) C4'-P energy: -74.231
bonds (distance) P-C4' energy: -93.202
flat angles C4'-P-C4' energy: -94.742
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -100.091
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: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -960.931319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.931319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.931319 (E_RNA)
where:
Base-Base interactions energy: -607.049
where: short stacking energy: -274.886
Base-Backbone interact. energy: -2.402
local terms energy: -351.479608
where:
bonds (distance) C4'-P energy: -80.696
bonds (distance) P-C4' energy: -86.426
flat angles C4'-P-C4' energy: -74.279
flat angles P-C4'-P energy: -51.805
tors. eta vs tors. theta energy: -58.274
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: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -939.212010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.212010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.212010 (E_RNA)
where:
Base-Base interactions energy: -587.214
where: short stacking energy: -250.605
Base-Backbone interact. energy: -1.262
local terms energy: -350.736374
where:
bonds (distance) C4'-P energy: -90.368
bonds (distance) P-C4' energy: -83.757
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -43.018
tors. eta vs tors. theta energy: -54.964
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: 361
Temperature: 1.350000
Total energy: -734.938313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.938313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.938313 (E_RNA)
where:
Base-Base interactions energy: -446.177
where: short stacking energy: -223.438
Base-Backbone interact. energy: -1.582
local terms energy: -287.179618
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -71.645
flat angles P-C4'-P energy: -38.002
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1840.483292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.483292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.483292 (E_RNA)
where:
Base-Base interactions energy: -1297.767
where: short stacking energy: -524.355
Base-Backbone interact. energy: -1.975
local terms energy: -540.741810
where:
bonds (distance) C4'-P energy: -95.620
bonds (distance) P-C4' energy: -99.653
flat angles C4'-P-C4' energy: -110.176
flat angles P-C4'-P energy: -81.178
tors. eta vs tors. theta energy: -154.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1831.889704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.889704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.889704 (E_RNA)
where:
Base-Base interactions energy: -1290.783
where: short stacking energy: -554.004
Base-Backbone interact. energy: -1.930
local terms energy: -539.176781
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -112.996
flat angles P-C4'-P energy: -79.211
tors. eta vs tors. theta energy: -156.410
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1711.288100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.288100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.288100 (E_RNA)
where:
Base-Base interactions energy: -1217.735
where: short stacking energy: -506.763
Base-Backbone interact. energy: -0.359
local terms energy: -493.193596
where:
bonds (distance) C4'-P energy: -89.310
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -101.200
flat angles P-C4'-P energy: -77.530
tors. eta vs tors. theta energy: -133.029
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: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1697.063807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.063807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.063807 (E_RNA)
where:
Base-Base interactions energy: -1194.773
where: short stacking energy: -500.595
Base-Backbone interact. energy: -3.548
local terms energy: -498.742645
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -89.415
flat angles C4'-P-C4' energy: -107.340
flat angles P-C4'-P energy: -82.032
tors. eta vs tors. theta energy: -133.465
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1626.241909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.241909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.241909 (E_RNA)
where:
Base-Base interactions energy: -1148.439
where: short stacking energy: -466.198
Base-Backbone interact. energy: -1.547
local terms energy: -476.255964
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -74.590
flat angles C4'-P-C4' energy: -116.658
flat angles P-C4'-P energy: -71.974
tors. eta vs tors. theta energy: -137.223
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: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1584.836022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.836022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.836022 (E_RNA)
where:
Base-Base interactions energy: -1124.943
where: short stacking energy: -453.632
Base-Backbone interact. energy: -1.067
local terms energy: -458.826338
where:
bonds (distance) C4'-P energy: -72.425
bonds (distance) P-C4' energy: -78.921
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -68.605
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: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1390.679958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.679958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.679958 (E_RNA)
where:
Base-Base interactions energy: -979.898
where: short stacking energy: -399.649
Base-Backbone interact. energy: 2.343
local terms energy: -413.125737
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -77.210
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -101.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -981.504031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.504031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.504031 (E_RNA)
where:
Base-Base interactions energy: -617.542
where: short stacking energy: -292.351
Base-Backbone interact. energy: -0.469
local terms energy: -363.493075
where:
bonds (distance) C4'-P energy: -74.670
bonds (distance) P-C4' energy: -78.849
flat angles C4'-P-C4' energy: -93.830
flat angles P-C4'-P energy: -55.619
tors. eta vs tors. theta energy: -60.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -963.706961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.706961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.706961 (E_RNA)
where:
Base-Base interactions energy: -641.815
where: short stacking energy: -291.885
Base-Backbone interact. energy: -1.720
local terms energy: -320.172004
where:
bonds (distance) C4'-P energy: -58.504
bonds (distance) P-C4' energy: -77.994
flat angles C4'-P-C4' energy: -83.404
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -56.768
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: 362
Temperature: 1.350000
Total energy: -749.700758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.700758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.700758 (E_RNA)
where:
Base-Base interactions energy: -457.622
where: short stacking energy: -221.270
Base-Backbone interact. energy: -2.091
local terms energy: -289.987293
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -76.282
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -34.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1846.505286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.505286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.505286 (E_RNA)
where:
Base-Base interactions energy: -1316.750
where: short stacking energy: -545.740
Base-Backbone interact. energy: -2.637
local terms energy: -527.118634
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -91.638
flat angles C4'-P-C4' energy: -107.768
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -151.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1793.084124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.084124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.084124 (E_RNA)
where:
Base-Base interactions energy: -1276.173
where: short stacking energy: -511.505
Base-Backbone interact. energy: -3.349
local terms energy: -513.561555
where:
bonds (distance) C4'-P energy: -94.785
bonds (distance) P-C4' energy: -92.110
flat angles C4'-P-C4' energy: -103.572
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -147.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1762.681986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.681986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.681986 (E_RNA)
where:
Base-Base interactions energy: -1232.486
where: short stacking energy: -516.677
Base-Backbone interact. energy: -2.325
local terms energy: -527.871568
where:
bonds (distance) C4'-P energy: -96.677
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -101.485
flat angles P-C4'-P energy: -69.550
tors. eta vs tors. theta energy: -158.434
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: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1690.760117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.760117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.760117 (E_RNA)
where:
Base-Base interactions energy: -1177.912
where: short stacking energy: -465.910
Base-Backbone interact. energy: -2.047
local terms energy: -510.800568
where:
bonds (distance) C4'-P energy: -81.100
bonds (distance) P-C4' energy: -101.148
flat angles C4'-P-C4' energy: -113.560
flat angles P-C4'-P energy: -67.790
tors. eta vs tors. theta energy: -147.203
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1633.376769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.376769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.376769 (E_RNA)
where:
Base-Base interactions energy: -1141.100
where: short stacking energy: -473.498
Base-Backbone interact. energy: -1.793
local terms energy: -490.484032
where:
bonds (distance) C4'-P energy: -86.942
bonds (distance) P-C4' energy: -99.564
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -63.053
tors. eta vs tors. theta energy: -141.968
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: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1562.181517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.181517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.181517 (E_RNA)
where:
Base-Base interactions energy: -1083.727
where: short stacking energy: -467.129
Base-Backbone interact. energy: -1.247
local terms energy: -477.207547
where:
bonds (distance) C4'-P energy: -83.728
bonds (distance) P-C4' energy: -97.041
flat angles C4'-P-C4' energy: -94.087
flat angles P-C4'-P energy: -64.222
tors. eta vs tors. theta energy: -138.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1416.343385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.343385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.343385 (E_RNA)
where:
Base-Base interactions energy: -997.352
where: short stacking energy: -412.450
Base-Backbone interact. energy: -0.672
local terms energy: -418.319089
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -86.030
flat angles C4'-P-C4' energy: -100.501
flat angles P-C4'-P energy: -49.902
tors. eta vs tors. theta energy: -105.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1029.316768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.316768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.316768 (E_RNA)
where:
Base-Base interactions energy: -690.797
where: short stacking energy: -311.543
Base-Backbone interact. energy: 2.390
local terms energy: -340.909798
where:
bonds (distance) C4'-P energy: -75.828
bonds (distance) P-C4' energy: -76.552
flat angles C4'-P-C4' energy: -84.035
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -54.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -953.441205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.441205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.441205 (E_RNA)
where:
Base-Base interactions energy: -592.898
where: short stacking energy: -268.276
Base-Backbone interact. energy: 2.426
local terms energy: -362.969588
where:
bonds (distance) C4'-P energy: -65.518
bonds (distance) P-C4' energy: -98.639
flat angles C4'-P-C4' energy: -83.627
flat angles P-C4'-P energy: -44.509
tors. eta vs tors. theta energy: -70.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -759.535905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.535905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.535905 (E_RNA)
where:
Base-Base interactions energy: -431.525
where: short stacking energy: -196.626
Base-Backbone interact. energy: -1.021
local terms energy: -326.990309
where:
bonds (distance) C4'-P energy: -84.745
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -70.781
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -32.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1857.709647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.709647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.709647 (E_RNA)
where:
Base-Base interactions energy: -1314.739
where: short stacking energy: -549.458
Base-Backbone interact. energy: -0.961
local terms energy: -542.009612
where:
bonds (distance) C4'-P energy: -93.036
bonds (distance) P-C4' energy: -92.760
flat angles C4'-P-C4' energy: -113.095
flat angles P-C4'-P energy: -84.295
tors. eta vs tors. theta energy: -158.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1746.481390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.481390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.481390 (E_RNA)
where:
Base-Base interactions energy: -1216.611
where: short stacking energy: -509.953
Base-Backbone interact. energy: -1.672
local terms energy: -528.198730
where:
bonds (distance) C4'-P energy: -95.672
bonds (distance) P-C4' energy: -92.839
flat angles C4'-P-C4' energy: -115.540
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -139.207
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: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1766.173897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.173897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.173897 (E_RNA)
where:
Base-Base interactions energy: -1228.524
where: short stacking energy: -503.219
Base-Backbone interact. energy: -1.439
local terms energy: -536.210752
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -109.039
flat angles P-C4'-P energy: -82.816
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: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1677.119431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.119431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.119431 (E_RNA)
where:
Base-Base interactions energy: -1199.093
where: short stacking energy: -482.763
Base-Backbone interact. energy: -0.938
local terms energy: -477.088749
where:
bonds (distance) C4'-P energy: -68.507
bonds (distance) P-C4' energy: -95.642
flat angles C4'-P-C4' energy: -105.932
flat angles P-C4'-P energy: -64.432
tors. eta vs tors. theta energy: -142.576
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: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1594.879964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.879964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.879964 (E_RNA)
where:
Base-Base interactions energy: -1118.118
where: short stacking energy: -461.986
Base-Backbone interact. energy: -1.746
local terms energy: -475.015687
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -89.819
flat angles P-C4'-P energy: -78.922
tors. eta vs tors. theta energy: -129.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1580.700513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.700513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.700513 (E_RNA)
where:
Base-Base interactions energy: -1102.903
where: short stacking energy: -451.669
Base-Backbone interact. energy: -3.166
local terms energy: -474.631147
where:
bonds (distance) C4'-P energy: -81.555
bonds (distance) P-C4' energy: -82.210
flat angles C4'-P-C4' energy: -111.244
flat angles P-C4'-P energy: -64.497
tors. eta vs tors. theta energy: -135.125
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: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1456.927671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.927671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.927671 (E_RNA)
where:
Base-Base interactions energy: -997.441
where: short stacking energy: -434.913
Base-Backbone interact. energy: -2.438
local terms energy: -457.048691
where:
bonds (distance) C4'-P energy: -82.723
bonds (distance) P-C4' energy: -90.656
flat angles C4'-P-C4' energy: -101.378
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -118.146
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: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1016.125009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.125009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.125009 (E_RNA)
where:
Base-Base interactions energy: -631.074
where: short stacking energy: -302.883
Base-Backbone interact. energy: -0.636
local terms energy: -384.414663
where:
bonds (distance) C4'-P energy: -86.707
bonds (distance) P-C4' energy: -74.820
flat angles C4'-P-C4' energy: -87.631
flat angles P-C4'-P energy: -60.786
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -923.862606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.862606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.862606 (E_RNA)
where:
Base-Base interactions energy: -567.840
where: short stacking energy: -266.831
Base-Backbone interact. energy: -2.028
local terms energy: -353.995206
where:
bonds (distance) C4'-P energy: -88.225
bonds (distance) P-C4' energy: -71.565
flat angles C4'-P-C4' energy: -85.165
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -744.377610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.377610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.377610 (E_RNA)
where:
Base-Base interactions energy: -444.046
where: short stacking energy: -226.128
Base-Backbone interact. energy: -0.358
local terms energy: -299.973969
where:
bonds (distance) C4'-P energy: -63.320
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -53.392
tors. eta vs tors. theta energy: -39.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1866.544853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.544853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.544853 (E_RNA)
where:
Base-Base interactions energy: -1312.213
where: short stacking energy: -545.955
Base-Backbone interact. energy: -2.204
local terms energy: -552.127759
where:
bonds (distance) C4'-P energy: -89.995
bonds (distance) P-C4' energy: -111.453
flat angles C4'-P-C4' energy: -110.360
flat angles P-C4'-P energy: -80.252
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: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1796.608020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.608020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.608020 (E_RNA)
where:
Base-Base interactions energy: -1268.306
where: short stacking energy: -551.408
Base-Backbone interact. energy: -0.620
local terms energy: -527.681216
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -93.921
flat angles C4'-P-C4' energy: -106.513
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -162.537
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: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1728.909512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.909512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.909512 (E_RNA)
where:
Base-Base interactions energy: -1218.912
where: short stacking energy: -507.636
Base-Backbone interact. energy: -2.351
local terms energy: -507.647054
where:
bonds (distance) C4'-P energy: -81.895
bonds (distance) P-C4' energy: -92.461
flat angles C4'-P-C4' energy: -115.437
flat angles P-C4'-P energy: -74.512
tors. eta vs tors. theta energy: -143.342
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: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1718.389740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.389740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.389740 (E_RNA)
where:
Base-Base interactions energy: -1208.666
where: short stacking energy: -499.961
Base-Backbone interact. energy: -1.527
local terms energy: -508.197449
where:
bonds (distance) C4'-P energy: -93.276
bonds (distance) P-C4' energy: -84.926
flat angles C4'-P-C4' energy: -103.095
flat angles P-C4'-P energy: -78.475
tors. eta vs tors. theta energy: -148.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1619.346121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.346121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.346121 (E_RNA)
where:
Base-Base interactions energy: -1147.476
where: short stacking energy: -482.169
Base-Backbone interact. energy: -2.323
local terms energy: -469.546480
where:
bonds (distance) C4'-P energy: -71.069
bonds (distance) P-C4' energy: -79.622
flat angles C4'-P-C4' energy: -115.129
flat angles P-C4'-P energy: -77.949
tors. eta vs tors. theta energy: -125.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1621.889274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.889274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.889274 (E_RNA)
where:
Base-Base interactions energy: -1132.470
where: short stacking energy: -496.239
Base-Backbone interact. energy: -0.336
local terms energy: -489.083699
where:
bonds (distance) C4'-P energy: -87.765
bonds (distance) P-C4' energy: -74.868
flat angles C4'-P-C4' energy: -114.835
flat angles P-C4'-P energy: -72.945
tors. eta vs tors. theta energy: -138.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1446.773879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.773879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.773879 (E_RNA)
where:
Base-Base interactions energy: -1021.373
where: short stacking energy: -411.216
Base-Backbone interact. energy: 5.088
local terms energy: -430.488898
where:
bonds (distance) C4'-P energy: -87.776
bonds (distance) P-C4' energy: -79.302
flat angles C4'-P-C4' energy: -97.227
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -106.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1040.566521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.566521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.566521 (E_RNA)
where:
Base-Base interactions energy: -670.396
where: short stacking energy: -322.575
Base-Backbone interact. energy: -1.380
local terms energy: -368.791018
where:
bonds (distance) C4'-P energy: -77.183
bonds (distance) P-C4' energy: -94.893
flat angles C4'-P-C4' energy: -82.900
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -73.310
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: 365
Temperature: 1.300000
Total energy: -942.470745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.470745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.470745 (E_RNA)
where:
Base-Base interactions energy: -615.849
where: short stacking energy: -288.664
Base-Backbone interact. energy: 0.502
local terms energy: -327.123329
where:
bonds (distance) C4'-P energy: -64.755
bonds (distance) P-C4' energy: -78.354
flat angles C4'-P-C4' energy: -81.990
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -715.397478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.397478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.397478 (E_RNA)
where:
Base-Base interactions energy: -403.049
where: short stacking energy: -207.069
Base-Backbone interact. energy: 3.593
local terms energy: -315.942057
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -85.641
flat angles C4'-P-C4' energy: -77.815
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -27.406
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: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1863.070919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.070919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.070919 (E_RNA)
where:
Base-Base interactions energy: -1299.175
where: short stacking energy: -530.817
Base-Backbone interact. energy: -1.630
local terms energy: -562.266129
where:
bonds (distance) C4'-P energy: -99.082
bonds (distance) P-C4' energy: -102.526
flat angles C4'-P-C4' energy: -120.888
flat angles P-C4'-P energy: -80.458
tors. eta vs tors. theta energy: -159.312
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: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1809.227938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.227938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.227938 (E_RNA)
where:
Base-Base interactions energy: -1267.629
where: short stacking energy: -554.971
Base-Backbone interact. energy: 2.878
local terms energy: -544.477635
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -116.652
flat angles P-C4'-P energy: -71.441
tors. eta vs tors. theta energy: -151.326
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1726.639189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.639189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.639189 (E_RNA)
where:
Base-Base interactions energy: -1215.302
where: short stacking energy: -506.856
Base-Backbone interact. energy: -2.819
local terms energy: -508.518575
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -68.702
tors. eta vs tors. theta energy: -148.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1685.602459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.602459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.602459 (E_RNA)
where:
Base-Base interactions energy: -1190.546
where: short stacking energy: -501.575
Base-Backbone interact. energy: -0.392
local terms energy: -494.665304
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -98.990
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -68.643
tors. eta vs tors. theta energy: -137.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1629.811165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.811165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.811165 (E_RNA)
where:
Base-Base interactions energy: -1147.330
where: short stacking energy: -491.893
Base-Backbone interact. energy: 1.632
local terms energy: -484.112691
where:
bonds (distance) C4'-P energy: -92.381
bonds (distance) P-C4' energy: -82.139
flat angles C4'-P-C4' energy: -100.489
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -139.238
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: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1554.531278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.531278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.531278 (E_RNA)
where:
Base-Base interactions energy: -1079.746
where: short stacking energy: -470.756
Base-Backbone interact. energy: -0.432
local terms energy: -474.353462
where:
bonds (distance) C4'-P energy: -81.429
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -95.729
flat angles P-C4'-P energy: -60.388
tors. eta vs tors. theta energy: -146.592
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1411.375341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.375341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.375341 (E_RNA)
where:
Base-Base interactions energy: -1018.812
where: short stacking energy: -408.544
Base-Backbone interact. energy: -1.633
local terms energy: -390.930529
where:
bonds (distance) C4'-P energy: -74.699
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -81.379
flat angles P-C4'-P energy: -67.321
tors. eta vs tors. theta energy: -108.899
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: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1103.164420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.164420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.164420 (E_RNA)
where:
Base-Base interactions energy: -744.762
where: short stacking energy: -314.509
Base-Backbone interact. energy: 3.713
local terms energy: -362.115284
where:
bonds (distance) C4'-P energy: -63.585
bonds (distance) P-C4' energy: -82.857
flat angles C4'-P-C4' energy: -86.738
flat angles P-C4'-P energy: -56.869
tors. eta vs tors. theta energy: -72.067
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: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -981.925114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.925114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.925114 (E_RNA)
where:
Base-Base interactions energy: -631.857
where: short stacking energy: -266.439
Base-Backbone interact. energy: -4.330
local terms energy: -345.737964
where:
bonds (distance) C4'-P energy: -66.236
bonds (distance) P-C4' energy: -86.204
flat angles C4'-P-C4' energy: -70.735
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: -61.069
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: 366
Temperature: 1.350000
Total energy: -691.677223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.677223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.677223 (E_RNA)
where:
Base-Base interactions energy: -404.987
where: short stacking energy: -185.249
Base-Backbone interact. energy: -0.563
local terms energy: -286.127423
where:
bonds (distance) C4'-P energy: -72.728
bonds (distance) P-C4' energy: -79.422
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1839.728565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.728565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.728565 (E_RNA)
where:
Base-Base interactions energy: -1289.915
where: short stacking energy: -532.232
Base-Backbone interact. energy: -0.755
local terms energy: -549.058817
where:
bonds (distance) C4'-P energy: -104.334
bonds (distance) P-C4' energy: -93.816
flat angles C4'-P-C4' energy: -114.402
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -158.321
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: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1808.819935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.819935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.819935 (E_RNA)
where:
Base-Base interactions energy: -1261.622
where: short stacking energy: -534.238
Base-Backbone interact. energy: -1.433
local terms energy: -545.765146
where:
bonds (distance) C4'-P energy: -93.771
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -116.178
flat angles P-C4'-P energy: -82.696
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1748.230774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.230774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.230774 (E_RNA)
where:
Base-Base interactions energy: -1251.561
where: short stacking energy: -499.156
Base-Backbone interact. energy: 0.451
local terms energy: -497.120175
where:
bonds (distance) C4'-P energy: -86.393
bonds (distance) P-C4' energy: -87.939
flat angles C4'-P-C4' energy: -117.851
flat angles P-C4'-P energy: -64.394
tors. eta vs tors. theta energy: -140.542
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: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1694.378408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.378408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.378408 (E_RNA)
where:
Base-Base interactions energy: -1207.472
where: short stacking energy: -486.986
Base-Backbone interact. energy: -2.295
local terms energy: -484.611133
where:
bonds (distance) C4'-P energy: -87.193
bonds (distance) P-C4' energy: -93.668
flat angles C4'-P-C4' energy: -98.312
flat angles P-C4'-P energy: -72.400
tors. eta vs tors. theta energy: -133.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1615.237082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.237082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.237082 (E_RNA)
where:
Base-Base interactions energy: -1156.119
where: short stacking energy: -473.648
Base-Backbone interact. energy: -0.088
local terms energy: -459.029970
where:
bonds (distance) C4'-P energy: -77.057
bonds (distance) P-C4' energy: -80.483
flat angles C4'-P-C4' energy: -101.668
flat angles P-C4'-P energy: -70.621
tors. eta vs tors. theta energy: -129.200
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: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1575.388930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.388930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.388930 (E_RNA)
where:
Base-Base interactions energy: -1111.249
where: short stacking energy: -458.268
Base-Backbone interact. energy: -3.380
local terms energy: -460.759924
where:
bonds (distance) C4'-P energy: -78.893
bonds (distance) P-C4' energy: -90.307
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -130.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1402.547214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.547214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.547214 (E_RNA)
where:
Base-Base interactions energy: -973.909
where: short stacking energy: -416.399
Base-Backbone interact. energy: -1.552
local terms energy: -427.085921
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -80.584
flat angles C4'-P-C4' energy: -99.465
flat angles P-C4'-P energy: -57.091
tors. eta vs tors. theta energy: -105.017
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: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1061.611396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.611396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.611396 (E_RNA)
where:
Base-Base interactions energy: -693.058
where: short stacking energy: -302.488
Base-Backbone interact. energy: -0.713
local terms energy: -367.840491
where:
bonds (distance) C4'-P energy: -80.872
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -72.027
flat angles P-C4'-P energy: -62.854
tors. eta vs tors. theta energy: -78.343
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: 367
Temperature: 1.300000
Total energy: -944.658464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.658464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.658464 (E_RNA)
where:
Base-Base interactions energy: -593.984
where: short stacking energy: -269.989
Base-Backbone interact. energy: -1.003
local terms energy: -349.671630
where:
bonds (distance) C4'-P energy: -79.803
bonds (distance) P-C4' energy: -87.125
flat angles C4'-P-C4' energy: -79.431
flat angles P-C4'-P energy: -46.594
tors. eta vs tors. theta energy: -56.719
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: 367
Temperature: 1.350000
Total energy: -717.860311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.860311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.860311 (E_RNA)
where:
Base-Base interactions energy: -416.210
where: short stacking energy: -196.509
Base-Backbone interact. energy: -0.945
local terms energy: -300.705459
where:
bonds (distance) C4'-P energy: -72.069
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -78.139
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -23.452
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: 368
Temperature: 0.900000
Total energy: -1829.848328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.848328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.848328 (E_RNA)
where:
Base-Base interactions energy: -1285.503
where: short stacking energy: -520.840
Base-Backbone interact. energy: -0.567
local terms energy: -543.778734
where:
bonds (distance) C4'-P energy: -97.741
bonds (distance) P-C4' energy: -100.711
flat angles C4'-P-C4' energy: -107.458
flat angles P-C4'-P energy: -86.072
tors. eta vs tors. theta energy: -151.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1796.931762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.931762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.931762 (E_RNA)
where:
Base-Base interactions energy: -1256.748
where: short stacking energy: -545.200
Base-Backbone interact. energy: -0.454
local terms energy: -539.729097
where:
bonds (distance) C4'-P energy: -84.616
bonds (distance) P-C4' energy: -98.222
flat angles C4'-P-C4' energy: -121.662
flat angles P-C4'-P energy: -76.542
tors. eta vs tors. theta energy: -158.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1761.291299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.291299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.291299 (E_RNA)
where:
Base-Base interactions energy: -1272.520
where: short stacking energy: -510.442
Base-Backbone interact. energy: -2.390
local terms energy: -486.380803
where:
bonds (distance) C4'-P energy: -81.808
bonds (distance) P-C4' energy: -86.364
flat angles C4'-P-C4' energy: -96.112
flat angles P-C4'-P energy: -79.478
tors. eta vs tors. theta energy: -142.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1751.224948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.224948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.224948 (E_RNA)
where:
Base-Base interactions energy: -1231.830
where: short stacking energy: -504.848
Base-Backbone interact. energy: 1.033
local terms energy: -520.427997
where:
bonds (distance) C4'-P energy: -83.310
bonds (distance) P-C4' energy: -96.994
flat angles C4'-P-C4' energy: -109.005
flat angles P-C4'-P energy: -83.413
tors. eta vs tors. theta energy: -147.706
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: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1628.156437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.156437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.156437 (E_RNA)
where:
Base-Base interactions energy: -1167.011
where: short stacking energy: -482.924
Base-Backbone interact. energy: 0.151
local terms energy: -461.296843
where:
bonds (distance) C4'-P energy: -87.120
bonds (distance) P-C4' energy: -79.211
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -64.587
tors. eta vs tors. theta energy: -129.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1546.897108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.897108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.897108 (E_RNA)
where:
Base-Base interactions energy: -1083.425
where: short stacking energy: -441.110
Base-Backbone interact. energy: -1.594
local terms energy: -461.878180
where:
bonds (distance) C4'-P energy: -88.151
bonds (distance) P-C4' energy: -83.188
flat angles C4'-P-C4' energy: -96.046
flat angles P-C4'-P energy: -69.231
tors. eta vs tors. theta energy: -125.263
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1447.944556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.944556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.944556 (E_RNA)
where:
Base-Base interactions energy: -1004.876
where: short stacking energy: -400.419
Base-Backbone interact. energy: -0.574
local terms energy: -442.494683
where:
bonds (distance) C4'-P energy: -72.885
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -65.925
tors. eta vs tors. theta energy: -109.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1098.233630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.233630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.233630 (E_RNA)
where:
Base-Base interactions energy: -708.934
where: short stacking energy: -313.114
Base-Backbone interact. energy: 0.161
local terms energy: -389.460363
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -81.052
flat angles C4'-P-C4' energy: -86.430
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -75.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -945.659181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.659181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.659181 (E_RNA)
where:
Base-Base interactions energy: -604.907
where: short stacking energy: -284.426
Base-Backbone interact. energy: 2.010
local terms energy: -342.761879
where:
bonds (distance) C4'-P energy: -88.935
bonds (distance) P-C4' energy: -90.746
flat angles C4'-P-C4' energy: -77.686
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -50.419
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: 368
Temperature: 1.350000
Total energy: -703.199022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.199022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.199022 (E_RNA)
where:
Base-Base interactions energy: -416.395
where: short stacking energy: -210.968
Base-Backbone interact. energy: -3.721
local terms energy: -283.082788
where:
bonds (distance) C4'-P energy: -65.654
bonds (distance) P-C4' energy: -81.646
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1865.259852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.259852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.259852 (E_RNA)
where:
Base-Base interactions energy: -1320.663
where: short stacking energy: -549.393
Base-Backbone interact. energy: -2.883
local terms energy: -541.713221
where:
bonds (distance) C4'-P energy: -102.885
bonds (distance) P-C4' energy: -101.433
flat angles C4'-P-C4' energy: -113.084
flat angles P-C4'-P energy: -80.155
tors. eta vs tors. theta energy: -144.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1798.135162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.135162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.135162 (E_RNA)
where:
Base-Base interactions energy: -1274.470
where: short stacking energy: -517.738
Base-Backbone interact. energy: -3.449
local terms energy: -520.215692
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -85.336
flat angles C4'-P-C4' energy: -118.469
flat angles P-C4'-P energy: -77.634
tors. eta vs tors. theta energy: -148.754
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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1780.720117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.720117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.720117 (E_RNA)
where:
Base-Base interactions energy: -1254.650
where: short stacking energy: -505.636
Base-Backbone interact. energy: -2.895
local terms energy: -523.175370
where:
bonds (distance) C4'-P energy: -96.202
bonds (distance) P-C4' energy: -88.406
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -76.051
tors. eta vs tors. theta energy: -146.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1741.035817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.035817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.035817 (E_RNA)
where:
Base-Base interactions energy: -1251.089
where: short stacking energy: -511.309
Base-Backbone interact. energy: -2.714
local terms energy: -487.232814
where:
bonds (distance) C4'-P energy: -71.432
bonds (distance) P-C4' energy: -96.808
flat angles C4'-P-C4' energy: -111.145
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: -142.145
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: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1583.149277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.149277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.149277 (E_RNA)
where:
Base-Base interactions energy: -1108.409
where: short stacking energy: -469.011
Base-Backbone interact. energy: -1.354
local terms energy: -473.385679
where:
bonds (distance) C4'-P energy: -84.884
bonds (distance) P-C4' energy: -82.424
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -69.796
tors. eta vs tors. theta energy: -126.610
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: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1537.650217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.650217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.650217 (E_RNA)
where:
Base-Base interactions energy: -1091.725
where: short stacking energy: -458.859
Base-Backbone interact. energy: -1.954
local terms energy: -443.971007
where:
bonds (distance) C4'-P energy: -75.606
bonds (distance) P-C4' energy: -72.478
flat angles C4'-P-C4' energy: -107.614
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: -130.093
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1475.540488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.540488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.540488 (E_RNA)
where:
Base-Base interactions energy: -1010.956
where: short stacking energy: -408.610
Base-Backbone interact. energy: -0.515
local terms energy: -464.069981
where:
bonds (distance) C4'-P energy: -91.331
bonds (distance) P-C4' energy: -89.317
flat angles C4'-P-C4' energy: -103.512
flat angles P-C4'-P energy: -60.919
tors. eta vs tors. theta energy: -118.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1062.424454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.424454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.424454 (E_RNA)
where:
Base-Base interactions energy: -690.710
where: short stacking energy: -307.518
Base-Backbone interact. energy: -0.364
local terms energy: -371.349688
where:
bonds (distance) C4'-P energy: -67.882
bonds (distance) P-C4' energy: -76.778
flat angles C4'-P-C4' energy: -85.301
flat angles P-C4'-P energy: -67.861
tors. eta vs tors. theta energy: -73.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1022.669626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.669626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.669626 (E_RNA)
where:
Base-Base interactions energy: -674.374
where: short stacking energy: -290.011
Base-Backbone interact. energy: 0.035
local terms energy: -348.330356
where:
bonds (distance) C4'-P energy: -80.637
bonds (distance) P-C4' energy: -73.825
flat angles C4'-P-C4' energy: -95.118
flat angles P-C4'-P energy: -54.111
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -699.702390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.702390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.702390 (E_RNA)
where:
Base-Base interactions energy: -415.219
where: short stacking energy: -204.151
Base-Backbone interact. energy: 0.826
local terms energy: -285.309150
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -71.618
flat angles C4'-P-C4' energy: -77.714
flat angles P-C4'-P energy: -39.448
tors. eta vs tors. theta energy: -12.507
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1822.371297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.371297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.371297 (E_RNA)
where:
Base-Base interactions energy: -1268.937
where: short stacking energy: -519.068
Base-Backbone interact. energy: -0.500
local terms energy: -552.934388
where:
bonds (distance) C4'-P energy: -96.425
bonds (distance) P-C4' energy: -99.161
flat angles C4'-P-C4' energy: -117.627
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -156.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1779.489896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.489896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.489896 (E_RNA)
where:
Base-Base interactions energy: -1278.281
where: short stacking energy: -504.093
Base-Backbone interact. energy: -2.141
local terms energy: -499.068848
where:
bonds (distance) C4'-P energy: -78.162
bonds (distance) P-C4' energy: -93.401
flat angles C4'-P-C4' energy: -111.988
flat angles P-C4'-P energy: -74.060
tors. eta vs tors. theta energy: -141.457
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1773.554935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.554935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.554935 (E_RNA)
where:
Base-Base interactions energy: -1260.082
where: short stacking energy: -523.266
Base-Backbone interact. energy: -1.194
local terms energy: -512.278923
where:
bonds (distance) C4'-P energy: -80.763
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -109.980
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -148.255
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: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1747.342950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.342950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.342950 (E_RNA)
where:
Base-Base interactions energy: -1237.037
where: short stacking energy: -501.758
Base-Backbone interact. energy: -4.485
local terms energy: -505.820915
where:
bonds (distance) C4'-P energy: -84.044
bonds (distance) P-C4' energy: -87.437
flat angles C4'-P-C4' energy: -108.364
flat angles P-C4'-P energy: -71.767
tors. eta vs tors. theta energy: -154.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1596.920398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.920398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.920398 (E_RNA)
where:
Base-Base interactions energy: -1121.741
where: short stacking energy: -475.572
Base-Backbone interact. energy: -2.082
local terms energy: -473.097239
where:
bonds (distance) C4'-P energy: -74.226
bonds (distance) P-C4' energy: -95.449
flat angles C4'-P-C4' energy: -109.575
flat angles P-C4'-P energy: -64.249
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: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1534.629964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.629964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.629964 (E_RNA)
where:
Base-Base interactions energy: -1077.211
where: short stacking energy: -464.326
Base-Backbone interact. energy: -1.637
local terms energy: -455.782006
where:
bonds (distance) C4'-P energy: -74.301
bonds (distance) P-C4' energy: -87.614
flat angles C4'-P-C4' energy: -90.419
flat angles P-C4'-P energy: -68.976
tors. eta vs tors. theta energy: -134.472
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1468.728332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.728332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.728332 (E_RNA)
where:
Base-Base interactions energy: -1020.243
where: short stacking energy: -434.299
Base-Backbone interact. energy: -1.204
local terms energy: -447.281291
where:
bonds (distance) C4'-P energy: -77.075
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -97.653
flat angles P-C4'-P energy: -65.307
tors. eta vs tors. theta energy: -115.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1052.220536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.220536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.220536 (E_RNA)
where:
Base-Base interactions energy: -696.863
where: short stacking energy: -314.903
Base-Backbone interact. energy: 2.389
local terms energy: -357.746166
where:
bonds (distance) C4'-P energy: -86.558
bonds (distance) P-C4' energy: -75.509
flat angles C4'-P-C4' energy: -71.268
flat angles P-C4'-P energy: -53.197
tors. eta vs tors. theta energy: -71.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -948.643599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.643599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.643599 (E_RNA)
where:
Base-Base interactions energy: -619.842
where: short stacking energy: -270.452
Base-Backbone interact. energy: 0.485
local terms energy: -329.286502
where:
bonds (distance) C4'-P energy: -69.301
bonds (distance) P-C4' energy: -74.560
flat angles C4'-P-C4' energy: -74.456
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -57.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -710.533467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.533467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.533467 (E_RNA)
where:
Base-Base interactions energy: -406.811
where: short stacking energy: -185.520
Base-Backbone interact. energy: -3.428
local terms energy: -300.294258
where:
bonds (distance) C4'-P energy: -73.176
bonds (distance) P-C4' energy: -89.866
flat angles C4'-P-C4' energy: -81.209
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1857.029328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.029328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.029328 (E_RNA)
where:
Base-Base interactions energy: -1291.040
where: short stacking energy: -540.067
Base-Backbone interact. energy: -3.683
local terms energy: -562.306420
where:
bonds (distance) C4'-P energy: -94.553
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -115.503
flat angles P-C4'-P energy: -94.113
tors. eta vs tors. theta energy: -158.286
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: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1793.534210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.534210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.534210 (E_RNA)
where:
Base-Base interactions energy: -1265.378
where: short stacking energy: -521.054
Base-Backbone interact. energy: -1.104
local terms energy: -527.052751
where:
bonds (distance) C4'-P energy: -89.559
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -156.370
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: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1779.254661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.254661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.254661 (E_RNA)
where:
Base-Base interactions energy: -1249.563
where: short stacking energy: -499.556
Base-Backbone interact. energy: -3.020
local terms energy: -526.672094
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -99.556
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -75.440
tors. eta vs tors. theta energy: -149.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1737.312391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.312391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.312391 (E_RNA)
where:
Base-Base interactions energy: -1230.497
where: short stacking energy: -506.598
Base-Backbone interact. energy: -2.577
local terms energy: -504.238855
where:
bonds (distance) C4'-P energy: -88.045
bonds (distance) P-C4' energy: -84.839
flat angles C4'-P-C4' energy: -105.918
flat angles P-C4'-P energy: -79.237
tors. eta vs tors. theta energy: -146.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1604.269684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.269684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.269684 (E_RNA)
where:
Base-Base interactions energy: -1119.436
where: short stacking energy: -460.974
Base-Backbone interact. energy: -1.213
local terms energy: -483.620567
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -95.475
flat angles C4'-P-C4' energy: -104.048
flat angles P-C4'-P energy: -70.545
tors. eta vs tors. theta energy: -128.287
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: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1578.781272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.781272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.781272 (E_RNA)
where:
Base-Base interactions energy: -1108.450
where: short stacking energy: -453.297
Base-Backbone interact. energy: -1.575
local terms energy: -468.756204
where:
bonds (distance) C4'-P energy: -87.904
bonds (distance) P-C4' energy: -85.167
flat angles C4'-P-C4' energy: -102.874
flat angles P-C4'-P energy: -55.572
tors. eta vs tors. theta energy: -137.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1492.569361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.569361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.569361 (E_RNA)
where:
Base-Base interactions energy: -1045.406
where: short stacking energy: -453.630
Base-Backbone interact. energy: 0.846
local terms energy: -448.009413
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -97.875
flat angles P-C4'-P energy: -67.468
tors. eta vs tors. theta energy: -126.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1028.181828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.181828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.181828 (E_RNA)
where:
Base-Base interactions energy: -665.728
where: short stacking energy: -264.959
Base-Backbone interact. energy: -1.570
local terms energy: -360.883751
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -93.301
flat angles C4'-P-C4' energy: -80.092
flat angles P-C4'-P energy: -52.075
tors. eta vs tors. theta energy: -57.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -936.296371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.296371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.296371 (E_RNA)
where:
Base-Base interactions energy: -617.930
where: short stacking energy: -269.352
Base-Backbone interact. energy: -0.186
local terms energy: -318.180222
where:
bonds (distance) C4'-P energy: -62.241
bonds (distance) P-C4' energy: -84.935
flat angles C4'-P-C4' energy: -73.935
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -664.239961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.239961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.239961 (E_RNA)
where:
Base-Base interactions energy: -397.185
where: short stacking energy: -189.735
Base-Backbone interact. energy: 1.411
local terms energy: -268.465914
where:
bonds (distance) C4'-P energy: -73.439
bonds (distance) P-C4' energy: -89.776
flat angles C4'-P-C4' energy: -51.784
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -8.062
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: 372
Temperature: 0.900000
Total energy: -1824.274598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.274598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.274598 (E_RNA)
where:
Base-Base interactions energy: -1298.964
where: short stacking energy: -535.391
Base-Backbone interact. energy: -1.052
local terms energy: -524.259086
where:
bonds (distance) C4'-P energy: -83.190
bonds (distance) P-C4' energy: -97.416
flat angles C4'-P-C4' energy: -111.788
flat angles P-C4'-P energy: -78.419
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: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1818.791911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.791911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.791911 (E_RNA)
where:
Base-Base interactions energy: -1279.579
where: short stacking energy: -534.183
Base-Backbone interact. energy: -2.940
local terms energy: -536.273489
where:
bonds (distance) C4'-P energy: -94.017
bonds (distance) P-C4' energy: -95.364
flat angles C4'-P-C4' energy: -109.209
flat angles P-C4'-P energy: -83.892
tors. eta vs tors. theta energy: -153.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1753.528555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.528555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.528555 (E_RNA)
where:
Base-Base interactions energy: -1246.689
where: short stacking energy: -492.968
Base-Backbone interact. energy: -3.292
local terms energy: -503.547420
where:
bonds (distance) C4'-P energy: -92.147
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -105.128
flat angles P-C4'-P energy: -67.870
tors. eta vs tors. theta energy: -146.932
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1690.758278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.758278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.758278 (E_RNA)
where:
Base-Base interactions energy: -1199.364
where: short stacking energy: -492.185
Base-Backbone interact. energy: -2.166
local terms energy: -489.227912
where:
bonds (distance) C4'-P energy: -89.280
bonds (distance) P-C4' energy: -84.317
flat angles C4'-P-C4' energy: -106.555
flat angles P-C4'-P energy: -62.607
tors. eta vs tors. theta energy: -146.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1597.321831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.321831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.321831 (E_RNA)
where:
Base-Base interactions energy: -1145.641
where: short stacking energy: -467.585
Base-Backbone interact. energy: -1.342
local terms energy: -450.338504
where:
bonds (distance) C4'-P energy: -79.738
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -76.411
tors. eta vs tors. theta energy: -117.313
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: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1558.510805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.510805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.510805 (E_RNA)
where:
Base-Base interactions energy: -1096.118
where: short stacking energy: -453.294
Base-Backbone interact. energy: -1.975
local terms energy: -460.418133
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -109.688
flat angles C4'-P-C4' energy: -96.588
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -127.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1356.675819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.675819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.675819 (E_RNA)
where:
Base-Base interactions energy: -951.882
where: short stacking energy: -394.656
Base-Backbone interact. energy: -3.968
local terms energy: -400.825529
where:
bonds (distance) C4'-P energy: -63.323
bonds (distance) P-C4' energy: -85.964
flat angles C4'-P-C4' energy: -96.569
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -98.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1030.969865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.969865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.969865 (E_RNA)
where:
Base-Base interactions energy: -671.488
where: short stacking energy: -305.630
Base-Backbone interact. energy: -1.555
local terms energy: -357.927337
where:
bonds (distance) C4'-P energy: -69.502
bonds (distance) P-C4' energy: -86.253
flat angles C4'-P-C4' energy: -67.618
flat angles P-C4'-P energy: -55.785
tors. eta vs tors. theta energy: -78.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -970.025831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.025831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.025831 (E_RNA)
where:
Base-Base interactions energy: -622.252
where: short stacking energy: -253.887
Base-Backbone interact. energy: -0.511
local terms energy: -347.262993
where:
bonds (distance) C4'-P energy: -76.610
bonds (distance) P-C4' energy: -84.029
flat angles C4'-P-C4' energy: -89.663
flat angles P-C4'-P energy: -44.061
tors. eta vs tors. theta energy: -52.901
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: 372
Temperature: 1.350000
Total energy: -721.021294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.021294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.021294 (E_RNA)
where:
Base-Base interactions energy: -423.294
where: short stacking energy: -193.562
Base-Backbone interact. energy: -2.408
local terms energy: -295.319627
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -77.975
flat angles C4'-P-C4' energy: -79.634
flat angles P-C4'-P energy: -58.303
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1828.318978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.318978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.318978 (E_RNA)
where:
Base-Base interactions energy: -1274.337
where: short stacking energy: -516.254
Base-Backbone interact. energy: -0.977
local terms energy: -553.005083
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -87.423
flat angles C4'-P-C4' energy: -117.222
flat angles P-C4'-P energy: -86.256
tors. eta vs tors. theta energy: -155.998
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: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1816.133536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.133536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.133536 (E_RNA)
where:
Base-Base interactions energy: -1279.360
where: short stacking energy: -516.700
Base-Backbone interact. energy: -2.603
local terms energy: -534.169836
where:
bonds (distance) C4'-P energy: -92.619
bonds (distance) P-C4' energy: -104.424
flat angles C4'-P-C4' energy: -107.660
flat angles P-C4'-P energy: -79.715
tors. eta vs tors. theta energy: -149.752
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1751.330915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.330915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.330915 (E_RNA)
where:
Base-Base interactions energy: -1221.041
where: short stacking energy: -522.402
Base-Backbone interact. energy: -0.513
local terms energy: -529.777605
where:
bonds (distance) C4'-P energy: -110.151
bonds (distance) P-C4' energy: -79.896
flat angles C4'-P-C4' energy: -107.069
flat angles P-C4'-P energy: -77.115
tors. eta vs tors. theta energy: -155.545
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: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1705.673730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.673730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.673730 (E_RNA)
where:
Base-Base interactions energy: -1214.834
where: short stacking energy: -510.596
Base-Backbone interact. energy: 0.947
local terms energy: -491.787134
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -87.479
flat angles C4'-P-C4' energy: -107.096
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: -152.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1580.711227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.711227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.711227 (E_RNA)
where:
Base-Base interactions energy: -1137.580
where: short stacking energy: -449.599
Base-Backbone interact. energy: -1.420
local terms energy: -441.710715
where:
bonds (distance) C4'-P energy: -69.085
bonds (distance) P-C4' energy: -77.899
flat angles C4'-P-C4' energy: -99.744
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -127.996
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: 373
Temperature: 1.150000
Total energy: -1565.549317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.549317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.549317 (E_RNA)
where:
Base-Base interactions energy: -1076.473
where: short stacking energy: -438.257
Base-Backbone interact. energy: -1.536
local terms energy: -487.540539
where:
bonds (distance) C4'-P energy: -81.300
bonds (distance) P-C4' energy: -99.041
flat angles C4'-P-C4' energy: -97.236
flat angles P-C4'-P energy: -72.809
tors. eta vs tors. theta energy: -137.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1430.455584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.455584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.455584 (E_RNA)
where:
Base-Base interactions energy: -1000.043
where: short stacking energy: -426.452
Base-Backbone interact. energy: -1.299
local terms energy: -429.113924
where:
bonds (distance) C4'-P energy: -85.628
bonds (distance) P-C4' energy: -84.796
flat angles C4'-P-C4' energy: -98.269
flat angles P-C4'-P energy: -55.966
tors. eta vs tors. theta energy: -104.455
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1097.966994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.966994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.966994 (E_RNA)
where:
Base-Base interactions energy: -720.129
where: short stacking energy: -324.156
Base-Backbone interact. energy: 1.147
local terms energy: -378.984610
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -65.356
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -76.325
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: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -978.588184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.588184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.588184 (E_RNA)
where:
Base-Base interactions energy: -634.061
where: short stacking energy: -287.845
Base-Backbone interact. energy: -4.977
local terms energy: -339.549914
where:
bonds (distance) C4'-P energy: -65.846
bonds (distance) P-C4' energy: -87.777
flat angles C4'-P-C4' energy: -87.547
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -56.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -718.580053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.580053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.580053 (E_RNA)
where:
Base-Base interactions energy: -426.288
where: short stacking energy: -208.164
Base-Backbone interact. energy: -0.716
local terms energy: -291.576120
where:
bonds (distance) C4'-P energy: -68.655
bonds (distance) P-C4' energy: -82.937
flat angles C4'-P-C4' energy: -77.307
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1834.171846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.171846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.171846 (E_RNA)
where:
Base-Base interactions energy: -1288.932
where: short stacking energy: -539.792
Base-Backbone interact. energy: -2.633
local terms energy: -542.606341
where:
bonds (distance) C4'-P energy: -94.349
bonds (distance) P-C4' energy: -103.964
flat angles C4'-P-C4' energy: -108.866
flat angles P-C4'-P energy: -85.271
tors. eta vs tors. theta energy: -150.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1792.112458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.112458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.112458 (E_RNA)
where:
Base-Base interactions energy: -1286.908
where: short stacking energy: -530.309
Base-Backbone interact. energy: 2.735
local terms energy: -507.939267
where:
bonds (distance) C4'-P energy: -88.193
bonds (distance) P-C4' energy: -92.991
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -75.395
tors. eta vs tors. theta energy: -146.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1731.306290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.306290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.306290 (E_RNA)
where:
Base-Base interactions energy: -1198.585
where: short stacking energy: -505.924
Base-Backbone interact. energy: -1.766
local terms energy: -530.955467
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -85.406
flat angles C4'-P-C4' energy: -116.336
flat angles P-C4'-P energy: -76.029
tors. eta vs tors. theta energy: -154.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1662.955892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.955892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.955892 (E_RNA)
where:
Base-Base interactions energy: -1152.512
where: short stacking energy: -488.299
Base-Backbone interact. energy: -1.292
local terms energy: -509.152465
where:
bonds (distance) C4'-P energy: -92.465
bonds (distance) P-C4' energy: -95.163
flat angles C4'-P-C4' energy: -104.708
flat angles P-C4'-P energy: -76.213
tors. eta vs tors. theta energy: -140.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1609.539646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.539646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.539646 (E_RNA)
where:
Base-Base interactions energy: -1120.749
where: short stacking energy: -462.926
Base-Backbone interact. energy: -2.266
local terms energy: -486.525288
where:
bonds (distance) C4'-P energy: -87.654
bonds (distance) P-C4' energy: -81.728
flat angles C4'-P-C4' energy: -103.835
flat angles P-C4'-P energy: -75.807
tors. eta vs tors. theta energy: -137.501
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1566.113530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.113530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.113530 (E_RNA)
where:
Base-Base interactions energy: -1109.171
where: short stacking energy: -447.157
Base-Backbone interact. energy: -1.075
local terms energy: -455.867580
where:
bonds (distance) C4'-P energy: -85.993
bonds (distance) P-C4' energy: -82.725
flat angles C4'-P-C4' energy: -98.951
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -127.568
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: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1373.969720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.969720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.969720 (E_RNA)
where:
Base-Base interactions energy: -944.477
where: short stacking energy: -397.312
Base-Backbone interact. energy: -3.505
local terms energy: -425.988331
where:
bonds (distance) C4'-P energy: -84.951
bonds (distance) P-C4' energy: -86.150
flat angles C4'-P-C4' energy: -91.650
flat angles P-C4'-P energy: -62.667
tors. eta vs tors. theta energy: -100.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1061.795583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.795583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.795583 (E_RNA)
where:
Base-Base interactions energy: -675.699
where: short stacking energy: -308.361
Base-Backbone interact. energy: 1.784
local terms energy: -387.880257
where:
bonds (distance) C4'-P energy: -84.024
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -86.277
flat angles P-C4'-P energy: -51.045
tors. eta vs tors. theta energy: -79.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1010.701277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.701277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.701277 (E_RNA)
where:
Base-Base interactions energy: -644.344
where: short stacking energy: -271.339
Base-Backbone interact. energy: -1.915
local terms energy: -364.442856
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -80.024
flat angles C4'-P-C4' energy: -67.263
flat angles P-C4'-P energy: -60.492
tors. eta vs tors. theta energy: -59.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -689.239956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.239956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.239956 (E_RNA)
where:
Base-Base interactions energy: -410.374
where: short stacking energy: -198.029
Base-Backbone interact. energy: -1.469
local terms energy: -277.396807
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -77.326
flat angles C4'-P-C4' energy: -77.301
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: -21.210
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: 375
Temperature: 0.900000
Total energy: -1833.641901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.641901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.641901 (E_RNA)
where:
Base-Base interactions energy: -1287.570
where: short stacking energy: -543.264
Base-Backbone interact. energy: -4.883
local terms energy: -541.188699
where:
bonds (distance) C4'-P energy: -94.926
bonds (distance) P-C4' energy: -99.377
flat angles C4'-P-C4' energy: -118.202
flat angles P-C4'-P energy: -82.367
tors. eta vs tors. theta energy: -146.317
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1808.731177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.731177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.731177 (E_RNA)
where:
Base-Base interactions energy: -1279.229
where: short stacking energy: -525.898
Base-Backbone interact. energy: -1.893
local terms energy: -527.609260
where:
bonds (distance) C4'-P energy: -92.490
bonds (distance) P-C4' energy: -104.930
flat angles C4'-P-C4' energy: -108.059
flat angles P-C4'-P energy: -69.365
tors. eta vs tors. theta energy: -152.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1769.566236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.566236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.566236 (E_RNA)
where:
Base-Base interactions energy: -1244.283
where: short stacking energy: -487.479
Base-Backbone interact. energy: -3.218
local terms energy: -522.065306
where:
bonds (distance) C4'-P energy: -87.331
bonds (distance) P-C4' energy: -98.316
flat angles C4'-P-C4' energy: -114.610
flat angles P-C4'-P energy: -78.501
tors. eta vs tors. theta energy: -143.308
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: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1638.343208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.343208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.343208 (E_RNA)
where:
Base-Base interactions energy: -1164.610
where: short stacking energy: -491.349
Base-Backbone interact. energy: -1.210
local terms energy: -472.523427
where:
bonds (distance) C4'-P energy: -88.236
bonds (distance) P-C4' energy: -84.383
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -64.498
tors. eta vs tors. theta energy: -143.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1615.225965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.225965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.225965 (E_RNA)
where:
Base-Base interactions energy: -1141.015
where: short stacking energy: -460.879
Base-Backbone interact. energy: -1.857
local terms energy: -472.353388
where:
bonds (distance) C4'-P energy: -92.277
bonds (distance) P-C4' energy: -73.917
flat angles C4'-P-C4' energy: -106.112
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -129.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1566.050773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.050773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.050773 (E_RNA)
where:
Base-Base interactions energy: -1119.946
where: short stacking energy: -450.472
Base-Backbone interact. energy: -2.158
local terms energy: -443.946862
where:
bonds (distance) C4'-P energy: -77.308
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -110.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1412.899036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.899036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.899036 (E_RNA)
where:
Base-Base interactions energy: -1007.436
where: short stacking energy: -418.351
Base-Backbone interact. energy: 3.334
local terms energy: -408.796199
where:
bonds (distance) C4'-P energy: -74.833
bonds (distance) P-C4' energy: -84.653
flat angles C4'-P-C4' energy: -79.594
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -114.656
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: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1051.570658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.570658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.570658 (E_RNA)
where:
Base-Base interactions energy: -663.602
where: short stacking energy: -298.676
Base-Backbone interact. energy: -1.056
local terms energy: -386.913486
where:
bonds (distance) C4'-P energy: -79.295
bonds (distance) P-C4' energy: -87.322
flat angles C4'-P-C4' energy: -78.225
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -78.392
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: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1010.382501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.382501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.382501 (E_RNA)
where:
Base-Base interactions energy: -655.116
where: short stacking energy: -311.571
Base-Backbone interact. energy: -0.394
local terms energy: -354.872219
where:
bonds (distance) C4'-P energy: -60.900
bonds (distance) P-C4' energy: -80.360
flat angles C4'-P-C4' energy: -90.052
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -69.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -668.631801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.631801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.631801 (E_RNA)
where:
Base-Base interactions energy: -380.596
where: short stacking energy: -178.195
Base-Backbone interact. energy: 4.979
local terms energy: -293.015191
where:
bonds (distance) C4'-P energy: -75.083
bonds (distance) P-C4' energy: -80.324
flat angles C4'-P-C4' energy: -73.281
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1852.004252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.004252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.004252 (E_RNA)
where:
Base-Base interactions energy: -1329.337
where: short stacking energy: -576.766
Base-Backbone interact. energy: -1.557
local terms energy: -521.109773
where:
bonds (distance) C4'-P energy: -82.661
bonds (distance) P-C4' energy: -94.558
flat angles C4'-P-C4' energy: -114.254
flat angles P-C4'-P energy: -74.612
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: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1811.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.071288 (E_RNA)
where:
Base-Base interactions energy: -1292.888
where: short stacking energy: -539.434
Base-Backbone interact. energy: -1.329
local terms energy: -516.854018
where:
bonds (distance) C4'-P energy: -98.416
bonds (distance) P-C4' energy: -93.763
flat angles C4'-P-C4' energy: -108.439
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: -152.789
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: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1742.379246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.379246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.379246 (E_RNA)
where:
Base-Base interactions energy: -1249.823
where: short stacking energy: -517.460
Base-Backbone interact. energy: -1.987
local terms energy: -490.569555
where:
bonds (distance) C4'-P energy: -83.580
bonds (distance) P-C4' energy: -89.950
flat angles C4'-P-C4' energy: -101.371
flat angles P-C4'-P energy: -66.905
tors. eta vs tors. theta energy: -148.764
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1639.859862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.859862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.859862 (E_RNA)
where:
Base-Base interactions energy: -1137.310
where: short stacking energy: -493.074
Base-Backbone interact. energy: 1.105
local terms energy: -503.654516
where:
bonds (distance) C4'-P energy: -85.630
bonds (distance) P-C4' energy: -85.721
flat angles C4'-P-C4' energy: -112.585
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -142.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1607.367280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.367280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.367280 (E_RNA)
where:
Base-Base interactions energy: -1113.568
where: short stacking energy: -465.628
Base-Backbone interact. energy: -3.266
local terms energy: -490.533311
where:
bonds (distance) C4'-P energy: -86.677
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -110.925
flat angles P-C4'-P energy: -68.445
tors. eta vs tors. theta energy: -130.096
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1579.649637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.649637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.649637 (E_RNA)
where:
Base-Base interactions energy: -1131.549
where: short stacking energy: -475.075
Base-Backbone interact. energy: -2.285
local terms energy: -445.815297
where:
bonds (distance) C4'-P energy: -75.827
bonds (distance) P-C4' energy: -83.477
flat angles C4'-P-C4' energy: -99.084
flat angles P-C4'-P energy: -67.294
tors. eta vs tors. theta energy: -120.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1432.690512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.690512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.690512 (E_RNA)
where:
Base-Base interactions energy: -1022.479
where: short stacking energy: -417.714
Base-Backbone interact. energy: -2.384
local terms energy: -407.826886
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -86.095
flat angles C4'-P-C4' energy: -85.520
flat angles P-C4'-P energy: -62.384
tors. eta vs tors. theta energy: -107.021
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: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1056.805277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.805277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.805277 (E_RNA)
where:
Base-Base interactions energy: -675.621
where: short stacking energy: -302.599
Base-Backbone interact. energy: -3.146
local terms energy: -378.038029
where:
bonds (distance) C4'-P energy: -74.551
bonds (distance) P-C4' energy: -97.362
flat angles C4'-P-C4' energy: -77.959
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1026.183990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.183990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.183990 (E_RNA)
where:
Base-Base interactions energy: -672.388
where: short stacking energy: -294.847
Base-Backbone interact. energy: -0.822
local terms energy: -352.973759
where:
bonds (distance) C4'-P energy: -78.801
bonds (distance) P-C4' energy: -83.806
flat angles C4'-P-C4' energy: -69.369
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -70.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -661.867639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.867639 (E_RNA)
where:
Base-Base interactions energy: -390.416
where: short stacking energy: -186.632
Base-Backbone interact. energy: -1.537
local terms energy: -269.914717
where:
bonds (distance) C4'-P energy: -77.428
bonds (distance) P-C4' energy: -86.307
flat angles C4'-P-C4' energy: -50.936
flat angles P-C4'-P energy: -40.006
tors. eta vs tors. theta energy: -15.238
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: 377
Temperature: 0.900000
Total energy: -1829.120316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.120316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.120316 (E_RNA)
where:
Base-Base interactions energy: -1295.092
where: short stacking energy: -512.361
Base-Backbone interact. energy: -1.381
local terms energy: -532.646979
where:
bonds (distance) C4'-P energy: -89.926
bonds (distance) P-C4' energy: -103.065
flat angles C4'-P-C4' energy: -110.946
flat angles P-C4'-P energy: -83.450
tors. eta vs tors. theta energy: -145.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1808.857135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.857135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.857135 (E_RNA)
where:
Base-Base interactions energy: -1279.418
where: short stacking energy: -536.824
Base-Backbone interact. energy: -2.094
local terms energy: -527.344639
where:
bonds (distance) C4'-P energy: -92.692
bonds (distance) P-C4' energy: -89.350
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -158.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1748.839199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.839199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.839199 (E_RNA)
where:
Base-Base interactions energy: -1235.167
where: short stacking energy: -512.092
Base-Backbone interact. energy: -2.553
local terms energy: -511.119558
where:
bonds (distance) C4'-P energy: -91.488
bonds (distance) P-C4' energy: -95.988
flat angles C4'-P-C4' energy: -104.554
flat angles P-C4'-P energy: -71.162
tors. eta vs tors. theta energy: -147.927
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: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1673.743056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.743056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.743056 (E_RNA)
where:
Base-Base interactions energy: -1169.788
where: short stacking energy: -495.333
Base-Backbone interact. energy: -0.716
local terms energy: -503.239399
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -99.471
flat angles C4'-P-C4' energy: -99.139
flat angles P-C4'-P energy: -79.190
tors. eta vs tors. theta energy: -137.695
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: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1597.934023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.934023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.934023 (E_RNA)
where:
Base-Base interactions energy: -1140.348
where: short stacking energy: -460.277
Base-Backbone interact. energy: 0.802
local terms energy: -458.388221
where:
bonds (distance) C4'-P energy: -85.212
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: -135.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1552.282303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.282303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.282303 (E_RNA)
where:
Base-Base interactions energy: -1084.138
where: short stacking energy: -441.295
Base-Backbone interact. energy: -3.651
local terms energy: -464.493975
where:
bonds (distance) C4'-P energy: -80.458
bonds (distance) P-C4' energy: -88.030
flat angles C4'-P-C4' energy: -96.559
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -124.238
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1432.672225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.672225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.672225 (E_RNA)
where:
Base-Base interactions energy: -1015.454
where: short stacking energy: -418.243
Base-Backbone interact. energy: -0.247
local terms energy: -416.971307
where:
bonds (distance) C4'-P energy: -72.557
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -91.953
flat angles P-C4'-P energy: -63.180
tors. eta vs tors. theta energy: -118.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1052.019164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.019164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.019164 (E_RNA)
where:
Base-Base interactions energy: -682.192
where: short stacking energy: -294.628
Base-Backbone interact. energy: -0.596
local terms energy: -369.231031
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -86.998
flat angles C4'-P-C4' energy: -82.717
flat angles P-C4'-P energy: -46.617
tors. eta vs tors. theta energy: -60.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -994.972277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.972277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.972277 (E_RNA)
where:
Base-Base interactions energy: -631.240
where: short stacking energy: -284.433
Base-Backbone interact. energy: -1.279
local terms energy: -362.452449
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -87.250
flat angles C4'-P-C4' energy: -86.809
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -56.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -716.574340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.574340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.574340 (E_RNA)
where:
Base-Base interactions energy: -428.943
where: short stacking energy: -213.730
Base-Backbone interact. energy: -3.418
local terms energy: -284.212749
where:
bonds (distance) C4'-P energy: -65.681
bonds (distance) P-C4' energy: -65.176
flat angles C4'-P-C4' energy: -82.613
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1855.577575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.577575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.577575 (E_RNA)
where:
Base-Base interactions energy: -1294.647
where: short stacking energy: -526.932
Base-Backbone interact. energy: -2.156
local terms energy: -558.774848
where:
bonds (distance) C4'-P energy: -95.765
bonds (distance) P-C4' energy: -104.292
flat angles C4'-P-C4' energy: -111.639
flat angles P-C4'-P energy: -87.792
tors. eta vs tors. theta energy: -159.286
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: 378
Temperature: 0.950000
Total energy: -1811.841134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.841134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.841134 (E_RNA)
where:
Base-Base interactions energy: -1281.288
where: short stacking energy: -537.011
Base-Backbone interact. energy: -2.305
local terms energy: -528.247932
where:
bonds (distance) C4'-P energy: -94.058
bonds (distance) P-C4' energy: -100.488
flat angles C4'-P-C4' energy: -108.931
flat angles P-C4'-P energy: -77.249
tors. eta vs tors. theta energy: -147.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1747.768200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.768200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.768200 (E_RNA)
where:
Base-Base interactions energy: -1248.136
where: short stacking energy: -521.159
Base-Backbone interact. energy: -0.582
local terms energy: -499.050776
where:
bonds (distance) C4'-P energy: -89.550
bonds (distance) P-C4' energy: -88.110
flat angles C4'-P-C4' energy: -109.435
flat angles P-C4'-P energy: -65.960
tors. eta vs tors. theta energy: -145.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1696.359066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.359066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.359066 (E_RNA)
where:
Base-Base interactions energy: -1199.619
where: short stacking energy: -490.236
Base-Backbone interact. energy: 0.171
local terms energy: -496.910435
where:
bonds (distance) C4'-P energy: -77.101
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -73.315
tors. eta vs tors. theta energy: -138.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1598.187495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.187495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.187495 (E_RNA)
where:
Base-Base interactions energy: -1136.203
where: short stacking energy: -485.612
Base-Backbone interact. energy: 0.866
local terms energy: -462.850756
where:
bonds (distance) C4'-P energy: -80.465
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -97.968
flat angles P-C4'-P energy: -70.757
tors. eta vs tors. theta energy: -122.122
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: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1535.761086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.761086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.761086 (E_RNA)
where:
Base-Base interactions energy: -1064.637
where: short stacking energy: -435.702
Base-Backbone interact. energy: 3.339
local terms energy: -474.463933
where:
bonds (distance) C4'-P energy: -91.127
bonds (distance) P-C4' energy: -85.578
flat angles C4'-P-C4' energy: -94.287
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -133.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1401.325773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.325773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.325773 (E_RNA)
where:
Base-Base interactions energy: -969.864
where: short stacking energy: -406.781
Base-Backbone interact. energy: 0.104
local terms energy: -431.565222
where:
bonds (distance) C4'-P energy: -81.919
bonds (distance) P-C4' energy: -77.704
flat angles C4'-P-C4' energy: -101.052
flat angles P-C4'-P energy: -62.588
tors. eta vs tors. theta energy: -108.302
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1076.609606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.609606 (E_RNA)
where:
Base-Base interactions energy: -696.148
where: short stacking energy: -331.223
Base-Backbone interact. energy: -1.216
local terms energy: -379.245832
where:
bonds (distance) C4'-P energy: -83.305
bonds (distance) P-C4' energy: -70.571
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -79.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1048.234183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.234183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.234183 (E_RNA)
where:
Base-Base interactions energy: -663.353
where: short stacking energy: -318.487
Base-Backbone interact. energy: 0.825
local terms energy: -385.706371
where:
bonds (distance) C4'-P energy: -79.054
bonds (distance) P-C4' energy: -90.327
flat angles C4'-P-C4' energy: -83.488
flat angles P-C4'-P energy: -59.866
tors. eta vs tors. theta energy: -72.971
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: 378
Temperature: 1.350000
Total energy: -710.694652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.694652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.694652 (E_RNA)
where:
Base-Base interactions energy: -411.740
where: short stacking energy: -199.497
Base-Backbone interact. energy: 0.368
local terms energy: -299.322100
where:
bonds (distance) C4'-P energy: -78.718
bonds (distance) P-C4' energy: -83.992
flat angles C4'-P-C4' energy: -75.096
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -19.709
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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1844.024425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.024425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.024425 (E_RNA)
where:
Base-Base interactions energy: -1303.056
where: short stacking energy: -541.984
Base-Backbone interact. energy: -1.182
local terms energy: -539.786236
where:
bonds (distance) C4'-P energy: -92.959
bonds (distance) P-C4' energy: -96.317
flat angles C4'-P-C4' energy: -107.582
flat angles P-C4'-P energy: -79.772
tors. eta vs tors. theta energy: -163.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1792.319987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.319987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.319987 (E_RNA)
where:
Base-Base interactions energy: -1277.911
where: short stacking energy: -526.086
Base-Backbone interact. energy: 0.302
local terms energy: -514.710787
where:
bonds (distance) C4'-P energy: -80.505
bonds (distance) P-C4' energy: -89.614
flat angles C4'-P-C4' energy: -114.615
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -155.674
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: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1757.379435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.379435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.379435 (E_RNA)
where:
Base-Base interactions energy: -1237.185
where: short stacking energy: -517.416
Base-Backbone interact. energy: -2.260
local terms energy: -517.934488
where:
bonds (distance) C4'-P energy: -95.242
bonds (distance) P-C4' energy: -96.013
flat angles C4'-P-C4' energy: -101.294
flat angles P-C4'-P energy: -73.266
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: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1692.238189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.238189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.238189 (E_RNA)
where:
Base-Base interactions energy: -1191.784
where: short stacking energy: -486.295
Base-Backbone interact. energy: -2.295
local terms energy: -498.158964
where:
bonds (distance) C4'-P energy: -91.891
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -105.742
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -139.039
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1604.363185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.363185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.363185 (E_RNA)
where:
Base-Base interactions energy: -1134.754
where: short stacking energy: -482.818
Base-Backbone interact. energy: -1.680
local terms energy: -467.930033
where:
bonds (distance) C4'-P energy: -75.838
bonds (distance) P-C4' energy: -90.490
flat angles C4'-P-C4' energy: -103.461
flat angles P-C4'-P energy: -62.484
tors. eta vs tors. theta energy: -135.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1524.793784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.793784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.793784 (E_RNA)
where:
Base-Base interactions energy: -1047.828
where: short stacking energy: -446.484
Base-Backbone interact. energy: -0.945
local terms energy: -476.020972
where:
bonds (distance) C4'-P energy: -80.772
bonds (distance) P-C4' energy: -95.910
flat angles C4'-P-C4' energy: -103.547
flat angles P-C4'-P energy: -63.908
tors. eta vs tors. theta energy: -131.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1431.172644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.172644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.172644 (E_RNA)
where:
Base-Base interactions energy: -975.655
where: short stacking energy: -418.530
Base-Backbone interact. energy: -1.287
local terms energy: -454.230702
where:
bonds (distance) C4'-P energy: -84.026
bonds (distance) P-C4' energy: -86.821
flat angles C4'-P-C4' energy: -104.832
flat angles P-C4'-P energy: -66.124
tors. eta vs tors. theta energy: -112.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1086.372642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.372642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.372642 (E_RNA)
where:
Base-Base interactions energy: -713.777
where: short stacking energy: -347.206
Base-Backbone interact. energy: 0.572
local terms energy: -373.167553
where:
bonds (distance) C4'-P energy: -74.121
bonds (distance) P-C4' energy: -61.434
flat angles C4'-P-C4' energy: -100.352
flat angles P-C4'-P energy: -50.673
tors. eta vs tors. theta energy: -86.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1044.407848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.407848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.407848 (E_RNA)
where:
Base-Base interactions energy: -690.203
where: short stacking energy: -294.764
Base-Backbone interact. energy: -2.781
local terms energy: -351.424076
where:
bonds (distance) C4'-P energy: -78.369
bonds (distance) P-C4' energy: -82.146
flat angles C4'-P-C4' energy: -78.100
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: -70.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -681.351727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.351727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.351727 (E_RNA)
where:
Base-Base interactions energy: -356.160
where: short stacking energy: -170.340
Base-Backbone interact. energy: -2.144
local terms energy: -323.048145
where:
bonds (distance) C4'-P energy: -74.659
bonds (distance) P-C4' energy: -94.205
flat angles C4'-P-C4' energy: -79.251
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1821.250761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.250761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.250761 (E_RNA)
where:
Base-Base interactions energy: -1277.567
where: short stacking energy: -523.550
Base-Backbone interact. energy: -3.089
local terms energy: -540.594874
where:
bonds (distance) C4'-P energy: -102.975
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -71.886
tors. eta vs tors. theta energy: -148.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1802.257234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.257234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.257234 (E_RNA)
where:
Base-Base interactions energy: -1272.840
where: short stacking energy: -546.849
Base-Backbone interact. energy: -1.082
local terms energy: -528.335747
where:
bonds (distance) C4'-P energy: -84.835
bonds (distance) P-C4' energy: -99.128
flat angles C4'-P-C4' energy: -113.719
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -154.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1754.717082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.717082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.717082 (E_RNA)
where:
Base-Base interactions energy: -1249.252
where: short stacking energy: -513.482
Base-Backbone interact. energy: -0.399
local terms energy: -505.065821
where:
bonds (distance) C4'-P energy: -88.350
bonds (distance) P-C4' energy: -99.096
flat angles C4'-P-C4' energy: -105.029
flat angles P-C4'-P energy: -67.729
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: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1685.382996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.382996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.382996 (E_RNA)
where:
Base-Base interactions energy: -1190.978
where: short stacking energy: -489.035
Base-Backbone interact. energy: -2.973
local terms energy: -491.432093
where:
bonds (distance) C4'-P energy: -86.448
bonds (distance) P-C4' energy: -89.525
flat angles C4'-P-C4' energy: -102.648
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -135.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1643.326964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.326964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.326964 (E_RNA)
where:
Base-Base interactions energy: -1164.464
where: short stacking energy: -489.542
Base-Backbone interact. energy: -1.771
local terms energy: -477.091928
where:
bonds (distance) C4'-P energy: -82.475
bonds (distance) P-C4' energy: -93.385
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -143.661
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: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1544.969657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.969657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.969657 (E_RNA)
where:
Base-Base interactions energy: -1089.706
where: short stacking energy: -442.198
Base-Backbone interact. energy: -4.072
local terms energy: -451.191498
where:
bonds (distance) C4'-P energy: -78.862
bonds (distance) P-C4' energy: -79.313
flat angles C4'-P-C4' energy: -104.134
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -124.246
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: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1422.289863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.289863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.289863 (E_RNA)
where:
Base-Base interactions energy: -1013.810
where: short stacking energy: -402.490
Base-Backbone interact. energy: 0.171
local terms energy: -408.651393
where:
bonds (distance) C4'-P energy: -68.770
bonds (distance) P-C4' energy: -85.759
flat angles C4'-P-C4' energy: -100.681
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -103.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1055.971172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.971172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.971172 (E_RNA)
where:
Base-Base interactions energy: -691.379
where: short stacking energy: -314.986
Base-Backbone interact. energy: -1.258
local terms energy: -363.333776
where:
bonds (distance) C4'-P energy: -78.209
bonds (distance) P-C4' energy: -82.512
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -51.337
tors. eta vs tors. theta energy: -68.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1027.972569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.972569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.972569 (E_RNA)
where:
Base-Base interactions energy: -649.378
where: short stacking energy: -309.540
Base-Backbone interact. energy: -2.387
local terms energy: -376.208008
where:
bonds (distance) C4'-P energy: -82.244
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -87.909
flat angles P-C4'-P energy: -55.735
tors. eta vs tors. theta energy: -69.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -658.859145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.859145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.859145 (E_RNA)
where:
Base-Base interactions energy: -389.652
where: short stacking energy: -208.673
Base-Backbone interact. energy: -1.060
local terms energy: -268.148068
where:
bonds (distance) C4'-P energy: -71.612
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -72.403
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -16.068
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: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1808.963668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.963668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.963668 (E_RNA)
where:
Base-Base interactions energy: -1285.663
where: short stacking energy: -538.204
Base-Backbone interact. energy: -2.957
local terms energy: -520.343530
where:
bonds (distance) C4'-P energy: -98.601
bonds (distance) P-C4' energy: -87.098
flat angles C4'-P-C4' energy: -106.259
flat angles P-C4'-P energy: -74.886
tors. eta vs tors. theta energy: -153.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1798.022176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.022176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.022176 (E_RNA)
where:
Base-Base interactions energy: -1247.539
where: short stacking energy: -545.899
Base-Backbone interact. energy: -3.573
local terms energy: -546.910136
where:
bonds (distance) C4'-P energy: -103.227
bonds (distance) P-C4' energy: -108.388
flat angles C4'-P-C4' energy: -104.491
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -154.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1726.261378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.261378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.261378 (E_RNA)
where:
Base-Base interactions energy: -1199.059
where: short stacking energy: -494.472
Base-Backbone interact. energy: -2.913
local terms energy: -524.289597
where:
bonds (distance) C4'-P energy: -95.064
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -103.520
flat angles P-C4'-P energy: -84.348
tors. eta vs tors. theta energy: -141.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1681.560912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.560912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.560912 (E_RNA)
where:
Base-Base interactions energy: -1214.114
where: short stacking energy: -470.863
Base-Backbone interact. energy: 0.764
local terms energy: -468.210232
where:
bonds (distance) C4'-P energy: -84.330
bonds (distance) P-C4' energy: -96.752
flat angles C4'-P-C4' energy: -82.248
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -139.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1636.657688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.657688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.657688 (E_RNA)
where:
Base-Base interactions energy: -1167.480
where: short stacking energy: -476.640
Base-Backbone interact. energy: 1.059
local terms energy: -470.236827
where:
bonds (distance) C4'-P energy: -79.692
bonds (distance) P-C4' energy: -84.690
flat angles C4'-P-C4' energy: -103.879
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -123.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1528.951911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.951911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.951911 (E_RNA)
where:
Base-Base interactions energy: -1093.229
where: short stacking energy: -445.779
Base-Backbone interact. energy: 2.482
local terms energy: -438.205341
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -79.681
flat angles C4'-P-C4' energy: -107.839
flat angles P-C4'-P energy: -70.528
tors. eta vs tors. theta energy: -118.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1374.384767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.384767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.384767 (E_RNA)
where:
Base-Base interactions energy: -954.675
where: short stacking energy: -374.542
Base-Backbone interact. energy: -0.004
local terms energy: -419.705826
where:
bonds (distance) C4'-P energy: -82.720
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -100.959
flat angles P-C4'-P energy: -62.958
tors. eta vs tors. theta energy: -101.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1031.543453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.543453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.543453 (E_RNA)
where:
Base-Base interactions energy: -666.433
where: short stacking energy: -314.940
Base-Backbone interact. energy: -0.298
local terms energy: -364.812285
where:
bonds (distance) C4'-P energy: -82.109
bonds (distance) P-C4' energy: -66.321
flat angles C4'-P-C4' energy: -88.998
flat angles P-C4'-P energy: -60.771
tors. eta vs tors. theta energy: -66.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1041.363029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.363029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.363029 (E_RNA)
where:
Base-Base interactions energy: -686.242
where: short stacking energy: -297.410
Base-Backbone interact. energy: -2.416
local terms energy: -352.704682
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -83.123
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -59.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -676.769150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.769150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.769150 (E_RNA)
where:
Base-Base interactions energy: -361.016
where: short stacking energy: -197.646
Base-Backbone interact. energy: 0.944
local terms energy: -316.697075
where:
bonds (distance) C4'-P energy: -86.029
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -73.500
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1827.437436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.437436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.437436 (E_RNA)
where:
Base-Base interactions energy: -1289.670
where: short stacking energy: -549.996
Base-Backbone interact. energy: -2.156
local terms energy: -535.611689
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -100.753
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -79.162
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: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1787.790315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.790315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.790315 (E_RNA)
where:
Base-Base interactions energy: -1240.929
where: short stacking energy: -518.374
Base-Backbone interact. energy: -3.000
local terms energy: -543.860880
where:
bonds (distance) C4'-P energy: -91.993
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -116.156
flat angles P-C4'-P energy: -81.383
tors. eta vs tors. theta energy: -154.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1760.403476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.403476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.403476 (E_RNA)
where:
Base-Base interactions energy: -1249.339
where: short stacking energy: -515.396
Base-Backbone interact. energy: -1.863
local terms energy: -509.200719
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -90.891
flat angles C4'-P-C4' energy: -110.085
flat angles P-C4'-P energy: -72.648
tors. eta vs tors. theta energy: -148.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1709.336707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.336707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.336707 (E_RNA)
where:
Base-Base interactions energy: -1218.277
where: short stacking energy: -509.267
Base-Backbone interact. energy: -1.406
local terms energy: -489.653316
where:
bonds (distance) C4'-P energy: -79.112
bonds (distance) P-C4' energy: -88.582
flat angles C4'-P-C4' energy: -111.424
flat angles P-C4'-P energy: -69.201
tors. eta vs tors. theta energy: -141.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1647.896012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.896012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.896012 (E_RNA)
where:
Base-Base interactions energy: -1171.061
where: short stacking energy: -485.234
Base-Backbone interact. energy: -2.121
local terms energy: -474.714410
where:
bonds (distance) C4'-P energy: -86.299
bonds (distance) P-C4' energy: -72.772
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -141.237
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: 382
Temperature: 1.150000
Total energy: -1553.868668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.868668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.868668 (E_RNA)
where:
Base-Base interactions energy: -1093.527
where: short stacking energy: -457.374
Base-Backbone interact. energy: -0.970
local terms energy: -459.372068
where:
bonds (distance) C4'-P energy: -79.784
bonds (distance) P-C4' energy: -87.709
flat angles C4'-P-C4' energy: -99.662
flat angles P-C4'-P energy: -64.810
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1446.742382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.742382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.742382 (E_RNA)
where:
Base-Base interactions energy: -1002.237
where: short stacking energy: -419.525
Base-Backbone interact. energy: 2.364
local terms energy: -446.869863
where:
bonds (distance) C4'-P energy: -84.186
bonds (distance) P-C4' energy: -91.813
flat angles C4'-P-C4' energy: -95.400
flat angles P-C4'-P energy: -66.615
tors. eta vs tors. theta energy: -108.857
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: 382
Temperature: 1.250000
Total energy: -1066.801411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.801411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.801411 (E_RNA)
where:
Base-Base interactions energy: -701.414
where: short stacking energy: -313.113
Base-Backbone interact. energy: -1.093
local terms energy: -364.294977
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -75.793
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -64.895
tors. eta vs tors. theta energy: -67.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1022.231530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.231530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.231530 (E_RNA)
where:
Base-Base interactions energy: -653.953
where: short stacking energy: -305.038
Base-Backbone interact. energy: 0.288
local terms energy: -368.566451
where:
bonds (distance) C4'-P energy: -76.435
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -90.101
flat angles P-C4'-P energy: -58.712
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -676.990728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.990728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.990728 (E_RNA)
where:
Base-Base interactions energy: -415.063
where: short stacking energy: -196.530
Base-Backbone interact. energy: -0.660
local terms energy: -261.266868
where:
bonds (distance) C4'-P energy: -58.011
bonds (distance) P-C4' energy: -81.380
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1827.684133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.684133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.684133 (E_RNA)
where:
Base-Base interactions energy: -1279.432
where: short stacking energy: -543.654
Base-Backbone interact. energy: -2.363
local terms energy: -545.889251
where:
bonds (distance) C4'-P energy: -95.231
bonds (distance) P-C4' energy: -105.595
flat angles C4'-P-C4' energy: -113.520
flat angles P-C4'-P energy: -76.781
tors. eta vs tors. theta energy: -154.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1806.086146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.086146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.086146 (E_RNA)
where:
Base-Base interactions energy: -1272.605
where: short stacking energy: -524.889
Base-Backbone interact. energy: 0.147
local terms energy: -533.627906
where:
bonds (distance) C4'-P energy: -94.985
bonds (distance) P-C4' energy: -101.621
flat angles C4'-P-C4' energy: -111.577
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -146.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1742.982737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.982737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.982737 (E_RNA)
where:
Base-Base interactions energy: -1234.834
where: short stacking energy: -486.699
Base-Backbone interact. energy: -0.508
local terms energy: -507.640441
where:
bonds (distance) C4'-P energy: -90.153
bonds (distance) P-C4' energy: -85.347
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -73.918
tors. eta vs tors. theta energy: -146.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1699.265352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.265352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.265352 (E_RNA)
where:
Base-Base interactions energy: -1180.635
where: short stacking energy: -484.320
Base-Backbone interact. energy: 0.627
local terms energy: -519.257652
where:
bonds (distance) C4'-P energy: -88.207
bonds (distance) P-C4' energy: -86.803
flat angles C4'-P-C4' energy: -110.274
flat angles P-C4'-P energy: -92.535
tors. eta vs tors. theta energy: -141.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1641.598934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.598934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.598934 (E_RNA)
where:
Base-Base interactions energy: -1176.129
where: short stacking energy: -498.884
Base-Backbone interact. energy: 0.953
local terms energy: -466.422854
where:
bonds (distance) C4'-P energy: -67.858
bonds (distance) P-C4' energy: -79.749
flat angles C4'-P-C4' energy: -109.973
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -135.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1479.739673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.739673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.739673 (E_RNA)
where:
Base-Base interactions energy: -1019.585
where: short stacking energy: -417.879
Base-Backbone interact. energy: -0.665
local terms energy: -459.489675
where:
bonds (distance) C4'-P energy: -92.681
bonds (distance) P-C4' energy: -82.845
flat angles C4'-P-C4' energy: -102.905
flat angles P-C4'-P energy: -64.268
tors. eta vs tors. theta energy: -116.791
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: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1514.500638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.500638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.500638 (E_RNA)
where:
Base-Base interactions energy: -1062.182
where: short stacking energy: -425.868
Base-Backbone interact. energy: -0.987
local terms energy: -451.332065
where:
bonds (distance) C4'-P energy: -83.220
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -108.360
flat angles P-C4'-P energy: -58.693
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: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1063.309124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.309124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.309124 (E_RNA)
where:
Base-Base interactions energy: -694.662
where: short stacking energy: -318.671
Base-Backbone interact. energy: 0.584
local terms energy: -369.231559
where:
bonds (distance) C4'-P energy: -77.584
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -91.225
flat angles P-C4'-P energy: -59.736
tors. eta vs tors. theta energy: -63.908
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: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -953.404130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.404130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.404130 (E_RNA)
where:
Base-Base interactions energy: -628.027
where: short stacking energy: -286.326
Base-Backbone interact. energy: 2.117
local terms energy: -327.494196
where:
bonds (distance) C4'-P energy: -82.133
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -72.867
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -57.058
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: 383
Temperature: 1.350000
Total energy: -673.829332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.829332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.829332 (E_RNA)
where:
Base-Base interactions energy: -405.020
where: short stacking energy: -208.301
Base-Backbone interact. energy: -2.154
local terms energy: -266.655579
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -75.620
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1842.863268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.863268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.863268 (E_RNA)
where:
Base-Base interactions energy: -1287.839
where: short stacking energy: -549.588
Base-Backbone interact. energy: -2.473
local terms energy: -552.551049
where:
bonds (distance) C4'-P energy: -96.673
bonds (distance) P-C4' energy: -97.974
flat angles C4'-P-C4' energy: -108.372
flat angles P-C4'-P energy: -85.662
tors. eta vs tors. theta energy: -163.870
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1786.005980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.005980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.005980 (E_RNA)
where:
Base-Base interactions energy: -1262.738
where: short stacking energy: -535.909
Base-Backbone interact. energy: -2.154
local terms energy: -521.113755
where:
bonds (distance) C4'-P energy: -84.845
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -107.447
flat angles P-C4'-P energy: -74.666
tors. eta vs tors. theta energy: -156.216
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: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1726.450020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.450020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.450020 (E_RNA)
where:
Base-Base interactions energy: -1220.460
where: short stacking energy: -476.135
Base-Backbone interact. energy: 1.040
local terms energy: -507.030052
where:
bonds (distance) C4'-P energy: -96.637
bonds (distance) P-C4' energy: -104.210
flat angles C4'-P-C4' energy: -96.855
flat angles P-C4'-P energy: -70.759
tors. eta vs tors. theta energy: -138.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1730.991957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.991957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.991957 (E_RNA)
where:
Base-Base interactions energy: -1229.641
where: short stacking energy: -507.839
Base-Backbone interact. energy: -2.526
local terms energy: -498.824953
where:
bonds (distance) C4'-P energy: -95.342
bonds (distance) P-C4' energy: -75.877
flat angles C4'-P-C4' energy: -107.596
flat angles P-C4'-P energy: -79.456
tors. eta vs tors. theta energy: -140.554
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: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1661.753054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.753054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.753054 (E_RNA)
where:
Base-Base interactions energy: -1199.376
where: short stacking energy: -502.577
Base-Backbone interact. energy: 0.154
local terms energy: -462.531773
where:
bonds (distance) C4'-P energy: -71.963
bonds (distance) P-C4' energy: -82.163
flat angles C4'-P-C4' energy: -100.702
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -142.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1459.962461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.962461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.962461 (E_RNA)
where:
Base-Base interactions energy: -1019.378
where: short stacking energy: -426.493
Base-Backbone interact. energy: 0.942
local terms energy: -441.526670
where:
bonds (distance) C4'-P energy: -82.920
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -109.726
flat angles P-C4'-P energy: -62.423
tors. eta vs tors. theta energy: -107.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1487.863597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.863597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.863597 (E_RNA)
where:
Base-Base interactions energy: -1026.574
where: short stacking energy: -420.124
Base-Backbone interact. energy: 0.533
local terms energy: -461.822024
where:
bonds (distance) C4'-P energy: -88.540
bonds (distance) P-C4' energy: -92.282
flat angles C4'-P-C4' energy: -102.537
flat angles P-C4'-P energy: -60.091
tors. eta vs tors. theta energy: -118.372
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1004.966688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.966688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.966688 (E_RNA)
where:
Base-Base interactions energy: -647.331
where: short stacking energy: -295.510
Base-Backbone interact. energy: 4.435
local terms energy: -362.070304
where:
bonds (distance) C4'-P energy: -78.739
bonds (distance) P-C4' energy: -80.787
flat angles C4'-P-C4' energy: -94.151
flat angles P-C4'-P energy: -50.172
tors. eta vs tors. theta energy: -58.222
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: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -937.972787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.972787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.972787 (E_RNA)
where:
Base-Base interactions energy: -597.048
where: short stacking energy: -309.830
Base-Backbone interact. energy: -0.617
local terms energy: -340.307209
where:
bonds (distance) C4'-P energy: -74.615
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -64.607
flat angles P-C4'-P energy: -62.928
tors. eta vs tors. theta energy: -73.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -686.025455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.025455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.025455 (E_RNA)
where:
Base-Base interactions energy: -399.018
where: short stacking energy: -217.513
Base-Backbone interact. energy: 4.994
local terms energy: -292.001551
where:
bonds (distance) C4'-P energy: -72.855
bonds (distance) P-C4' energy: -84.799
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -25.265
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: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1825.302708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.302708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.302708 (E_RNA)
where:
Base-Base interactions energy: -1280.517
where: short stacking energy: -549.936
Base-Backbone interact. energy: -3.761
local terms energy: -541.024041
where:
bonds (distance) C4'-P energy: -94.544
bonds (distance) P-C4' energy: -88.708
flat angles C4'-P-C4' energy: -115.003
flat angles P-C4'-P energy: -81.435
tors. eta vs tors. theta energy: -161.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1788.955874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.955874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.955874 (E_RNA)
where:
Base-Base interactions energy: -1256.653
where: short stacking energy: -511.755
Base-Backbone interact. energy: -2.195
local terms energy: -530.107432
where:
bonds (distance) C4'-P energy: -90.273
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -112.317
flat angles P-C4'-P energy: -82.454
tors. eta vs tors. theta energy: -149.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1753.775455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.775455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.775455 (E_RNA)
where:
Base-Base interactions energy: -1245.185
where: short stacking energy: -516.369
Base-Backbone interact. energy: -3.664
local terms energy: -504.926039
where:
bonds (distance) C4'-P energy: -92.580
bonds (distance) P-C4' energy: -98.533
flat angles C4'-P-C4' energy: -98.431
flat angles P-C4'-P energy: -66.576
tors. eta vs tors. theta energy: -148.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1714.691931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.691931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.691931 (E_RNA)
where:
Base-Base interactions energy: -1218.750
where: short stacking energy: -514.297
Base-Backbone interact. energy: 0.400
local terms energy: -496.341490
where:
bonds (distance) C4'-P energy: -94.163
bonds (distance) P-C4' energy: -84.074
flat angles C4'-P-C4' energy: -105.153
flat angles P-C4'-P energy: -63.023
tors. eta vs tors. theta energy: -149.928
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: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1620.725353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.725353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.725353 (E_RNA)
where:
Base-Base interactions energy: -1138.888
where: short stacking energy: -483.390
Base-Backbone interact. energy: -2.562
local terms energy: -479.275553
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -93.709
flat angles C4'-P-C4' energy: -99.861
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -125.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1544.169832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.169832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.169832 (E_RNA)
where:
Base-Base interactions energy: -1099.475
where: short stacking energy: -455.306
Base-Backbone interact. energy: 0.570
local terms energy: -445.265492
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -100.200
flat angles C4'-P-C4' energy: -97.193
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -122.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1411.168315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.168315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.168315 (E_RNA)
where:
Base-Base interactions energy: -974.877
where: short stacking energy: -406.544
Base-Backbone interact. energy: -1.620
local terms energy: -434.671265
where:
bonds (distance) C4'-P energy: -85.398
bonds (distance) P-C4' energy: -93.480
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -115.654
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: 385
Temperature: 1.250000
Total energy: -1055.809472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.809472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.809472 (E_RNA)
where:
Base-Base interactions energy: -665.940
where: short stacking energy: -304.755
Base-Backbone interact. energy: -2.604
local terms energy: -387.266095
where:
bonds (distance) C4'-P energy: -78.861
bonds (distance) P-C4' energy: -86.560
flat angles C4'-P-C4' energy: -93.399
flat angles P-C4'-P energy: -65.151
tors. eta vs tors. theta energy: -63.295
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: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -969.168852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.168852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.168852 (E_RNA)
where:
Base-Base interactions energy: -628.266
where: short stacking energy: -281.184
Base-Backbone interact. energy: 1.548
local terms energy: -342.450341
where:
bonds (distance) C4'-P energy: -81.388
bonds (distance) P-C4' energy: -77.137
flat angles C4'-P-C4' energy: -81.646
flat angles P-C4'-P energy: -47.268
tors. eta vs tors. theta energy: -55.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -688.357340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.357340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.357340 (E_RNA)
where:
Base-Base interactions energy: -422.380
where: short stacking energy: -186.915
Base-Backbone interact. energy: -4.071
local terms energy: -261.906019
where:
bonds (distance) C4'-P energy: -58.916
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: -7.975
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: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1826.692867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.692867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.692867 (E_RNA)
where:
Base-Base interactions energy: -1283.090
where: short stacking energy: -546.156
Base-Backbone interact. energy: -0.444
local terms energy: -543.159164
where:
bonds (distance) C4'-P energy: -90.303
bonds (distance) P-C4' energy: -100.534
flat angles C4'-P-C4' energy: -117.398
flat angles P-C4'-P energy: -77.075
tors. eta vs tors. theta energy: -157.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1777.293577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.293577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.293577 (E_RNA)
where:
Base-Base interactions energy: -1253.116
where: short stacking energy: -528.134
Base-Backbone interact. energy: -2.596
local terms energy: -521.581509
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -94.385
flat angles C4'-P-C4' energy: -116.834
flat angles P-C4'-P energy: -67.852
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1754.560027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.560027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.560027 (E_RNA)
where:
Base-Base interactions energy: -1237.062
where: short stacking energy: -508.005
Base-Backbone interact. energy: -1.590
local terms energy: -515.907984
where:
bonds (distance) C4'-P energy: -96.966
bonds (distance) P-C4' energy: -86.514
flat angles C4'-P-C4' energy: -109.111
flat angles P-C4'-P energy: -79.758
tors. eta vs tors. theta energy: -143.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1721.172566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.172566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.172566 (E_RNA)
where:
Base-Base interactions energy: -1229.619
where: short stacking energy: -528.385
Base-Backbone interact. energy: -2.395
local terms energy: -489.157671
where:
bonds (distance) C4'-P energy: -72.801
bonds (distance) P-C4' energy: -88.781
flat angles C4'-P-C4' energy: -111.939
flat angles P-C4'-P energy: -66.636
tors. eta vs tors. theta energy: -149.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1598.746214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.746214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.746214 (E_RNA)
where:
Base-Base interactions energy: -1124.346
where: short stacking energy: -462.244
Base-Backbone interact. energy: -3.045
local terms energy: -471.354823
where:
bonds (distance) C4'-P energy: -93.314
bonds (distance) P-C4' energy: -86.539
flat angles C4'-P-C4' energy: -98.775
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -138.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1548.961571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.961571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.961571 (E_RNA)
where:
Base-Base interactions energy: -1093.559
where: short stacking energy: -445.922
Base-Backbone interact. energy: -2.285
local terms energy: -453.118288
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -89.889
flat angles C4'-P-C4' energy: -97.184
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -127.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1361.995561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.995561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.995561 (E_RNA)
where:
Base-Base interactions energy: -950.448
where: short stacking energy: -385.791
Base-Backbone interact. energy: -0.717
local terms energy: -410.830357
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -82.921
flat angles C4'-P-C4' energy: -90.154
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -88.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1068.284399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.284399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.284399 (E_RNA)
where:
Base-Base interactions energy: -682.095
where: short stacking energy: -319.345
Base-Backbone interact. energy: -0.625
local terms energy: -385.564398
where:
bonds (distance) C4'-P energy: -83.952
bonds (distance) P-C4' energy: -89.204
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -77.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -968.729296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.729296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.729296 (E_RNA)
where:
Base-Base interactions energy: -627.951
where: short stacking energy: -259.903
Base-Backbone interact. energy: -1.865
local terms energy: -338.913424
where:
bonds (distance) C4'-P energy: -67.730
bonds (distance) P-C4' energy: -83.385
flat angles C4'-P-C4' energy: -89.948
flat angles P-C4'-P energy: -49.938
tors. eta vs tors. theta energy: -47.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -680.920842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.920842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.920842 (E_RNA)
where:
Base-Base interactions energy: -400.019
where: short stacking energy: -208.220
Base-Backbone interact. energy: -1.795
local terms energy: -279.106811
where:
bonds (distance) C4'-P energy: -71.417
bonds (distance) P-C4' energy: -74.544
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1827.534388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.534388 (E_RNA)
where:
Base-Base interactions energy: -1289.290
where: short stacking energy: -539.730
Base-Backbone interact. energy: 0.742
local terms energy: -538.986299
where:
bonds (distance) C4'-P energy: -94.097
bonds (distance) P-C4' energy: -100.856
flat angles C4'-P-C4' energy: -110.984
flat angles P-C4'-P energy: -79.910
tors. eta vs tors. theta energy: -153.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1806.002153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.002153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.002153 (E_RNA)
where:
Base-Base interactions energy: -1273.810
where: short stacking energy: -542.687
Base-Backbone interact. energy: -0.503
local terms energy: -531.689873
where:
bonds (distance) C4'-P energy: -92.236
bonds (distance) P-C4' energy: -92.296
flat angles C4'-P-C4' energy: -117.357
flat angles P-C4'-P energy: -78.030
tors. eta vs tors. theta energy: -151.770
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1734.872509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.872509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.872509 (E_RNA)
where:
Base-Base interactions energy: -1216.416
where: short stacking energy: -509.748
Base-Backbone interact. energy: -1.631
local terms energy: -516.825820
where:
bonds (distance) C4'-P energy: -99.494
bonds (distance) P-C4' energy: -86.482
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -70.983
tors. eta vs tors. theta energy: -147.801
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: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1734.936724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.936724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.936724 (E_RNA)
where:
Base-Base interactions energy: -1224.453
where: short stacking energy: -514.292
Base-Backbone interact. energy: -0.684
local terms energy: -509.800197
where:
bonds (distance) C4'-P energy: -79.741
bonds (distance) P-C4' energy: -103.266
flat angles C4'-P-C4' energy: -100.924
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: -146.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1634.690137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.690137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.690137 (E_RNA)
where:
Base-Base interactions energy: -1160.910
where: short stacking energy: -476.846
Base-Backbone interact. energy: 1.041
local terms energy: -474.820794
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -81.436
flat angles C4'-P-C4' energy: -96.078
flat angles P-C4'-P energy: -64.787
tors. eta vs tors. theta energy: -146.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1615.552024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.552024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.552024 (E_RNA)
where:
Base-Base interactions energy: -1147.177
where: short stacking energy: -477.400
Base-Backbone interact. energy: -2.132
local terms energy: -466.242587
where:
bonds (distance) C4'-P energy: -74.637
bonds (distance) P-C4' energy: -80.858
flat angles C4'-P-C4' energy: -100.443
flat angles P-C4'-P energy: -63.593
tors. eta vs tors. theta energy: -146.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1437.318644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.318644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.318644 (E_RNA)
where:
Base-Base interactions energy: -999.557
where: short stacking energy: -414.009
Base-Backbone interact. energy: -0.813
local terms energy: -436.949486
where:
bonds (distance) C4'-P energy: -76.699
bonds (distance) P-C4' energy: -74.257
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -64.877
tors. eta vs tors. theta energy: -121.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -961.972083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.972083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.972083 (E_RNA)
where:
Base-Base interactions energy: -612.416
where: short stacking energy: -260.443
Base-Backbone interact. energy: 0.264
local terms energy: -349.820117
where:
bonds (distance) C4'-P energy: -85.309
bonds (distance) P-C4' energy: -74.436
flat angles C4'-P-C4' energy: -74.686
flat angles P-C4'-P energy: -63.853
tors. eta vs tors. theta energy: -51.537
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: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1024.478543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.478543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.478543 (E_RNA)
where:
Base-Base interactions energy: -662.484
where: short stacking energy: -300.129
Base-Backbone interact. energy: 2.819
local terms energy: -364.813381
where:
bonds (distance) C4'-P energy: -88.911
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -52.692
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -710.923626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.923626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.923626 (E_RNA)
where:
Base-Base interactions energy: -410.057
where: short stacking energy: -210.135
Base-Backbone interact. energy: -2.487
local terms energy: -298.380342
where:
bonds (distance) C4'-P energy: -90.793
bonds (distance) P-C4' energy: -79.314
flat angles C4'-P-C4' energy: -78.839
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -11.859
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1846.076985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.076985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.076985 (E_RNA)
where:
Base-Base interactions energy: -1298.566
where: short stacking energy: -545.750
Base-Backbone interact. energy: -2.295
local terms energy: -545.215144
where:
bonds (distance) C4'-P energy: -92.440
bonds (distance) P-C4' energy: -99.078
flat angles C4'-P-C4' energy: -112.359
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -159.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1797.038890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.038890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.038890 (E_RNA)
where:
Base-Base interactions energy: -1248.754
where: short stacking energy: -511.212
Base-Backbone interact. energy: -4.900
local terms energy: -543.385463
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -98.549
flat angles C4'-P-C4' energy: -111.769
flat angles P-C4'-P energy: -88.356
tors. eta vs tors. theta energy: -149.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1723.284330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.284330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.284330 (E_RNA)
where:
Base-Base interactions energy: -1234.829
where: short stacking energy: -508.811
Base-Backbone interact. energy: -1.851
local terms energy: -486.604302
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -91.595
flat angles C4'-P-C4' energy: -95.649
flat angles P-C4'-P energy: -80.140
tors. eta vs tors. theta energy: -146.466
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: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1696.585039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.585039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.585039 (E_RNA)
where:
Base-Base interactions energy: -1190.967
where: short stacking energy: -517.698
Base-Backbone interact. energy: 1.083
local terms energy: -506.700943
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -101.257
flat angles P-C4'-P energy: -64.767
tors. eta vs tors. theta energy: -152.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1650.640428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.640428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.640428 (E_RNA)
where:
Base-Base interactions energy: -1172.174
where: short stacking energy: -475.197
Base-Backbone interact. energy: -1.767
local terms energy: -476.699670
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -95.883
flat angles C4'-P-C4' energy: -95.155
flat angles P-C4'-P energy: -68.125
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: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1573.279896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.279896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.279896 (E_RNA)
where:
Base-Base interactions energy: -1094.115
where: short stacking energy: -455.289
Base-Backbone interact. energy: -0.981
local terms energy: -478.183846
where:
bonds (distance) C4'-P energy: -87.759
bonds (distance) P-C4' energy: -86.718
flat angles C4'-P-C4' energy: -115.703
flat angles P-C4'-P energy: -54.752
tors. eta vs tors. theta energy: -133.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1408.214578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.214578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.214578 (E_RNA)
where:
Base-Base interactions energy: -981.127
where: short stacking energy: -391.612
Base-Backbone interact. energy: -0.817
local terms energy: -426.271283
where:
bonds (distance) C4'-P energy: -74.183
bonds (distance) P-C4' energy: -80.540
flat angles C4'-P-C4' energy: -88.397
flat angles P-C4'-P energy: -72.052
tors. eta vs tors. theta energy: -111.099
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: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1009.836091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.836091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.836091 (E_RNA)
where:
Base-Base interactions energy: -644.237
where: short stacking energy: -273.449
Base-Backbone interact. energy: 0.221
local terms energy: -365.820390
where:
bonds (distance) C4'-P energy: -87.605
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -82.364
flat angles P-C4'-P energy: -56.617
tors. eta vs tors. theta energy: -52.089
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: 388
Temperature: 1.300000
Total energy: -1034.877149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.877149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.877149 (E_RNA)
where:
Base-Base interactions energy: -677.086
where: short stacking energy: -312.686
Base-Backbone interact. energy: 0.308
local terms energy: -358.098987
where:
bonds (distance) C4'-P energy: -71.217
bonds (distance) P-C4' energy: -86.763
flat angles C4'-P-C4' energy: -80.372
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -64.455
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: 388
Temperature: 1.350000
Total energy: -716.021168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.021168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.021168 (E_RNA)
where:
Base-Base interactions energy: -423.914
where: short stacking energy: -226.559
Base-Backbone interact. energy: 0.027
local terms energy: -292.133445
where:
bonds (distance) C4'-P energy: -74.393
bonds (distance) P-C4' energy: -70.442
flat angles C4'-P-C4' energy: -81.963
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1839.538731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.538731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.538731 (E_RNA)
where:
Base-Base interactions energy: -1278.250
where: short stacking energy: -553.729
Base-Backbone interact. energy: -3.193
local terms energy: -558.095942
where:
bonds (distance) C4'-P energy: -97.806
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -121.230
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -164.699
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: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1807.802357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.802357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.802357 (E_RNA)
where:
Base-Base interactions energy: -1261.654
where: short stacking energy: -524.540
Base-Backbone interact. energy: -4.146
local terms energy: -542.002486
where:
bonds (distance) C4'-P energy: -91.932
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -115.608
flat angles P-C4'-P energy: -79.469
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: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1721.078811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.078811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.078811 (E_RNA)
where:
Base-Base interactions energy: -1201.265
where: short stacking energy: -493.726
Base-Backbone interact. energy: -1.434
local terms energy: -518.379751
where:
bonds (distance) C4'-P energy: -97.664
bonds (distance) P-C4' energy: -99.117
flat angles C4'-P-C4' energy: -96.890
flat angles P-C4'-P energy: -70.333
tors. eta vs tors. theta energy: -154.375
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: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1672.899388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.899388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.899388 (E_RNA)
where:
Base-Base interactions energy: -1188.681
where: short stacking energy: -494.118
Base-Backbone interact. energy: -2.975
local terms energy: -481.243327
where:
bonds (distance) C4'-P energy: -72.573
bonds (distance) P-C4' energy: -88.344
flat angles C4'-P-C4' energy: -108.043
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -144.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1678.185479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.185479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.185479 (E_RNA)
where:
Base-Base interactions energy: -1172.587
where: short stacking energy: -492.358
Base-Backbone interact. energy: -1.084
local terms energy: -504.513764
where:
bonds (distance) C4'-P energy: -81.379
bonds (distance) P-C4' energy: -96.909
flat angles C4'-P-C4' energy: -102.872
flat angles P-C4'-P energy: -75.494
tors. eta vs tors. theta energy: -147.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1544.776756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.776756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.776756 (E_RNA)
where:
Base-Base interactions energy: -1087.199
where: short stacking energy: -459.209
Base-Backbone interact. energy: 0.589
local terms energy: -458.167112
where:
bonds (distance) C4'-P energy: -78.198
bonds (distance) P-C4' energy: -71.041
flat angles C4'-P-C4' energy: -102.662
flat angles P-C4'-P energy: -69.131
tors. eta vs tors. theta energy: -137.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1426.373041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.373041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.373041 (E_RNA)
where:
Base-Base interactions energy: -993.153
where: short stacking energy: -417.236
Base-Backbone interact. energy: -2.281
local terms energy: -430.938803
where:
bonds (distance) C4'-P energy: -77.752
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -100.188
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -106.507
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: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -988.823598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.823598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.823598 (E_RNA)
where:
Base-Base interactions energy: -615.826
where: short stacking energy: -289.291
Base-Backbone interact. energy: -0.602
local terms energy: -372.395035
where:
bonds (distance) C4'-P energy: -78.464
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -80.239
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -61.591
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: 389
Temperature: 1.300000
Total energy: -1061.893057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.893057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.893057 (E_RNA)
where:
Base-Base interactions energy: -682.818
where: short stacking energy: -322.266
Base-Backbone interact. energy: -0.723
local terms energy: -378.351994
where:
bonds (distance) C4'-P energy: -83.430
bonds (distance) P-C4' energy: -75.769
flat angles C4'-P-C4' energy: -95.778
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -72.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -768.226035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.226035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.226035 (E_RNA)
where:
Base-Base interactions energy: -483.856
where: short stacking energy: -213.111
Base-Backbone interact. energy: 3.432
local terms energy: -287.802254
where:
bonds (distance) C4'-P energy: -78.026
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -84.450
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -28.210
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: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1849.036750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.036750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.036750 (E_RNA)
where:
Base-Base interactions energy: -1289.467
where: short stacking energy: -549.982
Base-Backbone interact. energy: -3.342
local terms energy: -556.227969
where:
bonds (distance) C4'-P energy: -95.379
bonds (distance) P-C4' energy: -100.528
flat angles C4'-P-C4' energy: -118.809
flat angles P-C4'-P energy: -84.881
tors. eta vs tors. theta energy: -156.631
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: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1748.962971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.962971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.962971 (E_RNA)
where:
Base-Base interactions energy: -1234.225
where: short stacking energy: -508.542
Base-Backbone interact. energy: -2.957
local terms energy: -511.781406
where:
bonds (distance) C4'-P energy: -91.646
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -110.966
flat angles P-C4'-P energy: -69.856
tors. eta vs tors. theta energy: -145.879
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: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1717.869173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.869173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.869173 (E_RNA)
where:
Base-Base interactions energy: -1213.399
where: short stacking energy: -501.558
Base-Backbone interact. energy: 1.042
local terms energy: -505.511881
where:
bonds (distance) C4'-P energy: -86.034
bonds (distance) P-C4' energy: -104.159
flat angles C4'-P-C4' energy: -107.368
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -143.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1693.643892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.643892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.643892 (E_RNA)
where:
Base-Base interactions energy: -1215.643
where: short stacking energy: -507.311
Base-Backbone interact. energy: -4.445
local terms energy: -473.556120
where:
bonds (distance) C4'-P energy: -91.732
bonds (distance) P-C4' energy: -81.905
flat angles C4'-P-C4' energy: -98.971
flat angles P-C4'-P energy: -74.165
tors. eta vs tors. theta energy: -126.782
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1633.842388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.842388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.842388 (E_RNA)
where:
Base-Base interactions energy: -1161.407
where: short stacking energy: -474.459
Base-Backbone interact. energy: -2.233
local terms energy: -470.202118
where:
bonds (distance) C4'-P energy: -94.133
bonds (distance) P-C4' energy: -85.339
flat angles C4'-P-C4' energy: -91.363
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -133.097
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: 390
Temperature: 1.150000
Total energy: -1556.858655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.858655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.858655 (E_RNA)
where:
Base-Base interactions energy: -1088.385
where: short stacking energy: -452.426
Base-Backbone interact. energy: -6.209
local terms energy: -462.265016
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -99.268
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -128.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1455.021463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.021463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.021463 (E_RNA)
where:
Base-Base interactions energy: -1022.607
where: short stacking energy: -422.708
Base-Backbone interact. energy: -1.184
local terms energy: -431.230688
where:
bonds (distance) C4'-P energy: -80.860
bonds (distance) P-C4' energy: -73.977
flat angles C4'-P-C4' energy: -94.702
flat angles P-C4'-P energy: -73.132
tors. eta vs tors. theta energy: -108.560
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: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -995.438054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.438054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.438054 (E_RNA)
where:
Base-Base interactions energy: -644.130
where: short stacking energy: -286.944
Base-Backbone interact. energy: 1.171
local terms energy: -352.479655
where:
bonds (distance) C4'-P energy: -82.481
bonds (distance) P-C4' energy: -90.271
flat angles C4'-P-C4' energy: -76.215
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -48.109
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1023.921135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.921135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.921135 (E_RNA)
where:
Base-Base interactions energy: -670.137
where: short stacking energy: -302.632
Base-Backbone interact. energy: 1.743
local terms energy: -355.527040
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -82.212
flat angles C4'-P-C4' energy: -79.708
flat angles P-C4'-P energy: -48.722
tors. eta vs tors. theta energy: -63.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -755.281272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.281272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.281272 (E_RNA)
where:
Base-Base interactions energy: -441.010
where: short stacking energy: -236.118
Base-Backbone interact. energy: 0.346
local terms energy: -314.616540
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -77.275
flat angles C4'-P-C4' energy: -74.400
flat angles P-C4'-P energy: -55.449
tors. eta vs tors. theta energy: -28.991
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1830.967541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.967541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.967541 (E_RNA)
where:
Base-Base interactions energy: -1297.525
where: short stacking energy: -547.784
Base-Backbone interact. energy: -2.648
local terms energy: -530.794698
where:
bonds (distance) C4'-P energy: -98.926
bonds (distance) P-C4' energy: -98.013
flat angles C4'-P-C4' energy: -110.570
flat angles P-C4'-P energy: -70.977
tors. eta vs tors. theta energy: -152.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1750.570181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.570181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.570181 (E_RNA)
where:
Base-Base interactions energy: -1247.624
where: short stacking energy: -517.334
Base-Backbone interact. energy: -0.665
local terms energy: -502.281245
where:
bonds (distance) C4'-P energy: -86.846
bonds (distance) P-C4' energy: -98.938
flat angles C4'-P-C4' energy: -104.588
flat angles P-C4'-P energy: -70.201
tors. eta vs tors. theta energy: -141.709
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: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1718.298309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.298309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.298309 (E_RNA)
where:
Base-Base interactions energy: -1216.079
where: short stacking energy: -521.586
Base-Backbone interact. energy: -2.825
local terms energy: -499.394077
where:
bonds (distance) C4'-P energy: -92.320
bonds (distance) P-C4' energy: -83.331
flat angles C4'-P-C4' energy: -108.594
flat angles P-C4'-P energy: -71.624
tors. eta vs tors. theta energy: -143.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1701.786809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.786809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.786809 (E_RNA)
where:
Base-Base interactions energy: -1230.091
where: short stacking energy: -495.179
Base-Backbone interact. energy: -2.836
local terms energy: -468.860097
where:
bonds (distance) C4'-P energy: -79.290
bonds (distance) P-C4' energy: -77.202
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -63.402
tors. eta vs tors. theta energy: -141.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1673.625549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.625549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.625549 (E_RNA)
where:
Base-Base interactions energy: -1179.019
where: short stacking energy: -494.725
Base-Backbone interact. energy: -2.471
local terms energy: -492.136161
where:
bonds (distance) C4'-P energy: -99.986
bonds (distance) P-C4' energy: -79.786
flat angles C4'-P-C4' energy: -95.619
flat angles P-C4'-P energy: -74.103
tors. eta vs tors. theta energy: -142.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1579.317502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.317502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.317502 (E_RNA)
where:
Base-Base interactions energy: -1133.889
where: short stacking energy: -444.583
Base-Backbone interact. energy: -1.082
local terms energy: -444.346210
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -87.784
flat angles C4'-P-C4' energy: -94.168
flat angles P-C4'-P energy: -59.751
tors. eta vs tors. theta energy: -125.425
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1407.747251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.747251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.747251 (E_RNA)
where:
Base-Base interactions energy: -1020.048
where: short stacking energy: -404.936
Base-Backbone interact. energy: -0.482
local terms energy: -387.217457
where:
bonds (distance) C4'-P energy: -86.359
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -82.679
flat angles P-C4'-P energy: -52.508
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: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1068.091594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.091594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.091594 (E_RNA)
where:
Base-Base interactions energy: -674.629
where: short stacking energy: -306.679
Base-Backbone interact. energy: -0.378
local terms energy: -393.084651
where:
bonds (distance) C4'-P energy: -80.195
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -94.020
flat angles P-C4'-P energy: -60.990
tors. eta vs tors. theta energy: -67.463
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: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -965.896066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.896066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.896066 (E_RNA)
where:
Base-Base interactions energy: -629.771
where: short stacking energy: -302.792
Base-Backbone interact. energy: -0.968
local terms energy: -335.156630
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -68.529
flat angles C4'-P-C4' energy: -102.720
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -60.585
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: 391
Temperature: 1.350000
Total energy: -726.677523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.677523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.677523 (E_RNA)
where:
Base-Base interactions energy: -412.530
where: short stacking energy: -199.304
Base-Backbone interact. energy: 0.535
local terms energy: -314.682357
where:
bonds (distance) C4'-P energy: -78.498
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -44.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1834.810679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.810679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.810679 (E_RNA)
where:
Base-Base interactions energy: -1304.842
where: short stacking energy: -538.209
Base-Backbone interact. energy: -1.364
local terms energy: -528.604130
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -103.379
flat angles C4'-P-C4' energy: -100.592
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -147.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1767.294521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.294521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.294521 (E_RNA)
where:
Base-Base interactions energy: -1264.201
where: short stacking energy: -518.500
Base-Backbone interact. energy: 0.801
local terms energy: -503.894850
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -90.672
flat angles C4'-P-C4' energy: -107.565
flat angles P-C4'-P energy: -79.566
tors. eta vs tors. theta energy: -138.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1762.264536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.264536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.264536 (E_RNA)
where:
Base-Base interactions energy: -1250.865
where: short stacking energy: -503.039
Base-Backbone interact. energy: -1.728
local terms energy: -509.670845
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -96.032
flat angles C4'-P-C4' energy: -107.308
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -145.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1675.153178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.153178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.153178 (E_RNA)
where:
Base-Base interactions energy: -1186.003
where: short stacking energy: -487.319
Base-Backbone interact. energy: -2.921
local terms energy: -486.228870
where:
bonds (distance) C4'-P energy: -85.852
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -102.698
flat angles P-C4'-P energy: -79.594
tors. eta vs tors. theta energy: -125.596
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: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1631.148568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.148568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.148568 (E_RNA)
where:
Base-Base interactions energy: -1143.217
where: short stacking energy: -462.586
Base-Backbone interact. energy: -0.767
local terms energy: -487.164834
where:
bonds (distance) C4'-P energy: -91.294
bonds (distance) P-C4' energy: -96.358
flat angles C4'-P-C4' energy: -101.106
flat angles P-C4'-P energy: -69.217
tors. eta vs tors. theta energy: -129.190
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: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1660.604919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.604919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.604919 (E_RNA)
where:
Base-Base interactions energy: -1187.563
where: short stacking energy: -493.430
Base-Backbone interact. energy: -1.542
local terms energy: -471.500490
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -86.472
flat angles C4'-P-C4' energy: -105.344
flat angles P-C4'-P energy: -62.525
tors. eta vs tors. theta energy: -137.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1420.124277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.124277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.124277 (E_RNA)
where:
Base-Base interactions energy: -998.279
where: short stacking energy: -419.912
Base-Backbone interact. energy: -2.143
local terms energy: -419.701662
where:
bonds (distance) C4'-P energy: -69.206
bonds (distance) P-C4' energy: -74.321
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -53.528
tors. eta vs tors. theta energy: -118.625
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: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1126.053566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.053566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.053566 (E_RNA)
where:
Base-Base interactions energy: -738.797
where: short stacking energy: -307.392
Base-Backbone interact. energy: 4.855
local terms energy: -392.110758
where:
bonds (distance) C4'-P energy: -90.485
bonds (distance) P-C4' energy: -79.491
flat angles C4'-P-C4' energy: -88.702
flat angles P-C4'-P energy: -58.114
tors. eta vs tors. theta energy: -75.318
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: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -960.400757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.400757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.400757 (E_RNA)
where:
Base-Base interactions energy: -615.700
where: short stacking energy: -285.977
Base-Backbone interact. energy: 0.030
local terms energy: -344.730438
where:
bonds (distance) C4'-P energy: -75.063
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -38.989
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: 392
Temperature: 1.350000
Total energy: -732.796641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.796641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.796641 (E_RNA)
where:
Base-Base interactions energy: -406.693
where: short stacking energy: -211.439
Base-Backbone interact. energy: 1.597
local terms energy: -327.700866
where:
bonds (distance) C4'-P energy: -71.367
bonds (distance) P-C4' energy: -84.643
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -69.244
tors. eta vs tors. theta energy: -37.250
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: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1839.518990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.518990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.518990 (E_RNA)
where:
Base-Base interactions energy: -1296.127
where: short stacking energy: -555.990
Base-Backbone interact. energy: -3.202
local terms energy: -540.189692
where:
bonds (distance) C4'-P energy: -100.594
bonds (distance) P-C4' energy: -88.247
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -164.590
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1746.034475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.034475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.034475 (E_RNA)
where:
Base-Base interactions energy: -1213.049
where: short stacking energy: -511.294
Base-Backbone interact. energy: -1.210
local terms energy: -531.776024
where:
bonds (distance) C4'-P energy: -93.105
bonds (distance) P-C4' energy: -97.823
flat angles C4'-P-C4' energy: -108.387
flat angles P-C4'-P energy: -80.218
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: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1788.548238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.548238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.548238 (E_RNA)
where:
Base-Base interactions energy: -1267.620
where: short stacking energy: -517.805
Base-Backbone interact. energy: -3.138
local terms energy: -517.790262
where:
bonds (distance) C4'-P energy: -99.730
bonds (distance) P-C4' energy: -96.825
flat angles C4'-P-C4' energy: -110.588
flat angles P-C4'-P energy: -72.257
tors. eta vs tors. theta energy: -138.391
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: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1678.106302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.106302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.106302 (E_RNA)
where:
Base-Base interactions energy: -1182.192
where: short stacking energy: -473.581
Base-Backbone interact. energy: -1.697
local terms energy: -494.216398
where:
bonds (distance) C4'-P energy: -103.978
bonds (distance) P-C4' energy: -89.552
flat angles C4'-P-C4' energy: -107.547
flat angles P-C4'-P energy: -66.088
tors. eta vs tors. theta energy: -127.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1604.465136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.465136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.465136 (E_RNA)
where:
Base-Base interactions energy: -1135.528
where: short stacking energy: -469.814
Base-Backbone interact. energy: -2.924
local terms energy: -466.013125
where:
bonds (distance) C4'-P energy: -80.842
bonds (distance) P-C4' energy: -90.955
flat angles C4'-P-C4' energy: -92.494
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: -135.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1598.072395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.072395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.072395 (E_RNA)
where:
Base-Base interactions energy: -1125.029
where: short stacking energy: -488.101
Base-Backbone interact. energy: -0.982
local terms energy: -472.060856
where:
bonds (distance) C4'-P energy: -75.627
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -147.074
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1411.308758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.308758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.308758 (E_RNA)
where:
Base-Base interactions energy: -1003.484
where: short stacking energy: -421.816
Base-Backbone interact. energy: -1.406
local terms energy: -406.418709
where:
bonds (distance) C4'-P energy: -63.877
bonds (distance) P-C4' energy: -80.668
flat angles C4'-P-C4' energy: -100.804
flat angles P-C4'-P energy: -51.501
tors. eta vs tors. theta energy: -109.568
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: 393
Temperature: 1.250000
Total energy: -1072.547703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.547703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.547703 (E_RNA)
where:
Base-Base interactions energy: -705.757
where: short stacking energy: -312.555
Base-Backbone interact. energy: 3.449
local terms energy: -370.239339
where:
bonds (distance) C4'-P energy: -77.548
bonds (distance) P-C4' energy: -75.922
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -58.822
tors. eta vs tors. theta energy: -70.964
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: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -981.281107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.281107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.281107 (E_RNA)
where:
Base-Base interactions energy: -625.532
where: short stacking energy: -313.592
Base-Backbone interact. energy: 0.967
local terms energy: -356.715799
where:
bonds (distance) C4'-P energy: -82.068
bonds (distance) P-C4' energy: -73.907
flat angles C4'-P-C4' energy: -79.270
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -73.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -725.045010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.045010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.045010 (E_RNA)
where:
Base-Base interactions energy: -420.600
where: short stacking energy: -220.465
Base-Backbone interact. energy: -1.360
local terms energy: -303.085633
where:
bonds (distance) C4'-P energy: -79.873
bonds (distance) P-C4' energy: -71.322
flat angles C4'-P-C4' energy: -85.129
flat angles P-C4'-P energy: -46.774
tors. eta vs tors. theta energy: -19.987
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: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1821.167470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.167470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.167470 (E_RNA)
where:
Base-Base interactions energy: -1276.223
where: short stacking energy: -533.401
Base-Backbone interact. energy: -1.164
local terms energy: -543.781112
where:
bonds (distance) C4'-P energy: -91.635
bonds (distance) P-C4' energy: -93.246
flat angles C4'-P-C4' energy: -110.817
flat angles P-C4'-P energy: -81.439
tors. eta vs tors. theta energy: -166.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1794.620181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.620181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.620181 (E_RNA)
where:
Base-Base interactions energy: -1249.568
where: short stacking energy: -535.381
Base-Backbone interact. energy: -3.089
local terms energy: -541.963734
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -112.748
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -152.630
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1757.296275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.296275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.296275 (E_RNA)
where:
Base-Base interactions energy: -1222.066
where: short stacking energy: -498.655
Base-Backbone interact. energy: -1.229
local terms energy: -534.001264
where:
bonds (distance) C4'-P energy: -94.147
bonds (distance) P-C4' energy: -108.078
flat angles C4'-P-C4' energy: -110.851
flat angles P-C4'-P energy: -81.982
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: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1682.205348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.205348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.205348 (E_RNA)
where:
Base-Base interactions energy: -1203.363
where: short stacking energy: -489.554
Base-Backbone interact. energy: -2.324
local terms energy: -476.518835
where:
bonds (distance) C4'-P energy: -94.915
bonds (distance) P-C4' energy: -91.422
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -67.472
tors. eta vs tors. theta energy: -134.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1657.851650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.851650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.851650 (E_RNA)
where:
Base-Base interactions energy: -1180.913
where: short stacking energy: -502.598
Base-Backbone interact. energy: -1.525
local terms energy: -475.413003
where:
bonds (distance) C4'-P energy: -79.301
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -106.856
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -154.870
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1571.096156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.096156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.096156 (E_RNA)
where:
Base-Base interactions energy: -1128.275
where: short stacking energy: -460.516
Base-Backbone interact. energy: -2.084
local terms energy: -440.737704
where:
bonds (distance) C4'-P energy: -68.371
bonds (distance) P-C4' energy: -79.149
flat angles C4'-P-C4' energy: -95.533
flat angles P-C4'-P energy: -69.256
tors. eta vs tors. theta energy: -128.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1390.071222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.071222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.071222 (E_RNA)
where:
Base-Base interactions energy: -977.473
where: short stacking energy: -419.586
Base-Backbone interact. energy: 0.444
local terms energy: -413.042450
where:
bonds (distance) C4'-P energy: -80.241
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -78.614
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -113.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1075.998090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.998090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.998090 (E_RNA)
where:
Base-Base interactions energy: -714.996
where: short stacking energy: -312.164
Base-Backbone interact. energy: 0.542
local terms energy: -361.544648
where:
bonds (distance) C4'-P energy: -74.074
bonds (distance) P-C4' energy: -88.513
flat angles C4'-P-C4' energy: -82.069
flat angles P-C4'-P energy: -45.842
tors. eta vs tors. theta energy: -71.046
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1017.954423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.954423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.954423 (E_RNA)
where:
Base-Base interactions energy: -656.786
where: short stacking energy: -302.686
Base-Backbone interact. energy: 3.313
local terms energy: -364.481874
where:
bonds (distance) C4'-P energy: -81.780
bonds (distance) P-C4' energy: -89.256
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -57.025
tors. eta vs tors. theta energy: -64.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -676.503741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.503741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.503741 (E_RNA)
where:
Base-Base interactions energy: -364.146
where: short stacking energy: -177.561
Base-Backbone interact. energy: -0.823
local terms energy: -311.535111
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -79.943
flat angles C4'-P-C4' energy: -79.824
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1820.730368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.730368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.730368 (E_RNA)
where:
Base-Base interactions energy: -1271.725
where: short stacking energy: -543.271
Base-Backbone interact. energy: -4.421
local terms energy: -544.585050
where:
bonds (distance) C4'-P energy: -99.750
bonds (distance) P-C4' energy: -99.502
flat angles C4'-P-C4' energy: -105.956
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -158.920
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: 395
Temperature: 0.950000
Total energy: -1796.408140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.408140 (E_RNA)
where:
Base-Base interactions energy: -1267.374
where: short stacking energy: -527.393
Base-Backbone interact. energy: -0.714
local terms energy: -528.320596
where:
bonds (distance) C4'-P energy: -100.614
bonds (distance) P-C4' energy: -85.494
flat angles C4'-P-C4' energy: -112.032
flat angles P-C4'-P energy: -77.521
tors. eta vs tors. theta energy: -152.659
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: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1729.834983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.834983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.834983 (E_RNA)
where:
Base-Base interactions energy: -1247.931
where: short stacking energy: -513.323
Base-Backbone interact. energy: -1.896
local terms energy: -480.008699
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -80.914
flat angles C4'-P-C4' energy: -108.875
flat angles P-C4'-P energy: -72.937
tors. eta vs tors. theta energy: -140.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1689.376639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.376639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.376639 (E_RNA)
where:
Base-Base interactions energy: -1192.316
where: short stacking energy: -492.036
Base-Backbone interact. energy: 1.153
local terms energy: -498.213082
where:
bonds (distance) C4'-P energy: -93.537
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -107.082
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -129.097
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1674.281927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.281927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.281927 (E_RNA)
where:
Base-Base interactions energy: -1168.439
where: short stacking energy: -499.797
Base-Backbone interact. energy: -3.084
local terms energy: -502.759101
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -93.553
flat angles C4'-P-C4' energy: -112.236
flat angles P-C4'-P energy: -66.597
tors. eta vs tors. theta energy: -150.419
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: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1541.741698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.741698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.741698 (E_RNA)
where:
Base-Base interactions energy: -1096.028
where: short stacking energy: -449.448
Base-Backbone interact. energy: -0.446
local terms energy: -445.268231
where:
bonds (distance) C4'-P energy: -73.184
bonds (distance) P-C4' energy: -72.187
flat angles C4'-P-C4' energy: -103.391
flat angles P-C4'-P energy: -71.780
tors. eta vs tors. theta energy: -124.726
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: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1494.075419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.075419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.075419 (E_RNA)
where:
Base-Base interactions energy: -1064.233
where: short stacking energy: -419.671
Base-Backbone interact. energy: -2.672
local terms energy: -427.170490
where:
bonds (distance) C4'-P energy: -86.245
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -56.175
tors. eta vs tors. theta energy: -108.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -992.410968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.410968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.410968 (E_RNA)
where:
Base-Base interactions energy: -599.829
where: short stacking energy: -281.826
Base-Backbone interact. energy: -2.935
local terms energy: -389.647580
where:
bonds (distance) C4'-P energy: -90.484
bonds (distance) P-C4' energy: -86.289
flat angles C4'-P-C4' energy: -96.356
flat angles P-C4'-P energy: -50.131
tors. eta vs tors. theta energy: -66.388
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: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1046.351063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.351063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.351063 (E_RNA)
where:
Base-Base interactions energy: -695.926
where: short stacking energy: -325.918
Base-Backbone interact. energy: -1.741
local terms energy: -348.684217
where:
bonds (distance) C4'-P energy: -74.157
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -83.286
flat angles P-C4'-P energy: -61.519
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -667.760294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.760294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.760294 (E_RNA)
where:
Base-Base interactions energy: -393.466
where: short stacking energy: -192.233
Base-Backbone interact. energy: 2.128
local terms energy: -276.422970
where:
bonds (distance) C4'-P energy: -70.998
bonds (distance) P-C4' energy: -94.528
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -14.027
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: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1827.462379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.462379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.462379 (E_RNA)
where:
Base-Base interactions energy: -1274.087
where: short stacking energy: -543.603
Base-Backbone interact. energy: -1.699
local terms energy: -551.676485
where:
bonds (distance) C4'-P energy: -95.018
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -84.387
tors. eta vs tors. theta energy: -167.557
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: 396
Temperature: 0.950000
Total energy: -1813.524114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.524114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.524114 (E_RNA)
where:
Base-Base interactions energy: -1284.013
where: short stacking energy: -520.702
Base-Backbone interact. energy: -1.924
local terms energy: -527.586899
where:
bonds (distance) C4'-P energy: -96.001
bonds (distance) P-C4' energy: -94.575
flat angles C4'-P-C4' energy: -108.311
flat angles P-C4'-P energy: -80.462
tors. eta vs tors. theta energy: -148.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1746.388739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.388739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.388739 (E_RNA)
where:
Base-Base interactions energy: -1248.104
where: short stacking energy: -511.102
Base-Backbone interact. energy: -2.156
local terms energy: -496.128490
where:
bonds (distance) C4'-P energy: -74.352
bonds (distance) P-C4' energy: -86.610
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -77.809
tors. eta vs tors. theta energy: -149.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1688.198822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.198822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.198822 (E_RNA)
where:
Base-Base interactions energy: -1188.138
where: short stacking energy: -503.722
Base-Backbone interact. energy: -1.067
local terms energy: -498.994090
where:
bonds (distance) C4'-P energy: -79.121
bonds (distance) P-C4' energy: -105.557
flat angles C4'-P-C4' energy: -103.824
flat angles P-C4'-P energy: -73.866
tors. eta vs tors. theta energy: -136.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1636.468040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.468040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.468040 (E_RNA)
where:
Base-Base interactions energy: -1146.569
where: short stacking energy: -454.037
Base-Backbone interact. energy: 0.617
local terms energy: -490.515565
where:
bonds (distance) C4'-P energy: -94.349
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -107.564
flat angles P-C4'-P energy: -66.930
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: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1645.884570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.884570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.884570 (E_RNA)
where:
Base-Base interactions energy: -1160.301
where: short stacking energy: -477.293
Base-Backbone interact. energy: -1.050
local terms energy: -484.533268
where:
bonds (distance) C4'-P energy: -85.199
bonds (distance) P-C4' energy: -75.691
flat angles C4'-P-C4' energy: -110.865
flat angles P-C4'-P energy: -68.138
tors. eta vs tors. theta energy: -144.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1467.808870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.808870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.808870 (E_RNA)
where:
Base-Base interactions energy: -1036.452
where: short stacking energy: -413.502
Base-Backbone interact. energy: -3.281
local terms energy: -428.076316
where:
bonds (distance) C4'-P energy: -82.931
bonds (distance) P-C4' energy: -80.974
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -58.400
tors. eta vs tors. theta energy: -103.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -963.752512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.752512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.752512 (E_RNA)
where:
Base-Base interactions energy: -606.964
where: short stacking energy: -288.889
Base-Backbone interact. energy: -0.034
local terms energy: -356.755119
where:
bonds (distance) C4'-P energy: -82.690
bonds (distance) P-C4' energy: -79.297
flat angles C4'-P-C4' energy: -81.683
flat angles P-C4'-P energy: -55.634
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -988.802153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.802153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.802153 (E_RNA)
where:
Base-Base interactions energy: -648.360
where: short stacking energy: -274.073
Base-Backbone interact. energy: 1.181
local terms energy: -341.623008
where:
bonds (distance) C4'-P energy: -79.717
bonds (distance) P-C4' energy: -83.613
flat angles C4'-P-C4' energy: -75.487
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -52.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -664.743481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.743481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.743481 (E_RNA)
where:
Base-Base interactions energy: -389.536
where: short stacking energy: -211.566
Base-Backbone interact. energy: 0.813
local terms energy: -276.019940
where:
bonds (distance) C4'-P energy: -69.190
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -22.498
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: 397
Temperature: 0.900000
Total energy: -1833.870390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.870390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.870390 (E_RNA)
where:
Base-Base interactions energy: -1291.754
where: short stacking energy: -540.547
Base-Backbone interact. energy: -2.796
local terms energy: -539.320494
where:
bonds (distance) C4'-P energy: -93.942
bonds (distance) P-C4' energy: -94.300
flat angles C4'-P-C4' energy: -121.853
flat angles P-C4'-P energy: -72.432
tors. eta vs tors. theta energy: -156.793
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: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1771.859262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.859262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.859262 (E_RNA)
where:
Base-Base interactions energy: -1239.574
where: short stacking energy: -527.504
Base-Backbone interact. energy: -0.974
local terms energy: -531.310503
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -108.843
flat angles P-C4'-P energy: -78.724
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: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1739.709082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.709082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.709082 (E_RNA)
where:
Base-Base interactions energy: -1210.676
where: short stacking energy: -488.203
Base-Backbone interact. energy: -1.964
local terms energy: -527.069212
where:
bonds (distance) C4'-P energy: -103.207
bonds (distance) P-C4' energy: -91.508
flat angles C4'-P-C4' energy: -105.876
flat angles P-C4'-P energy: -91.421
tors. eta vs tors. theta energy: -135.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1705.977114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.977114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.977114 (E_RNA)
where:
Base-Base interactions energy: -1213.638
where: short stacking energy: -476.496
Base-Backbone interact. energy: -0.949
local terms energy: -491.390337
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -94.550
flat angles C4'-P-C4' energy: -100.279
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -136.879
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: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1640.902098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.902098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.902098 (E_RNA)
where:
Base-Base interactions energy: -1145.288
where: short stacking energy: -490.919
Base-Backbone interact. energy: -0.978
local terms energy: -494.636571
where:
bonds (distance) C4'-P energy: -75.595
bonds (distance) P-C4' energy: -96.060
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -66.127
tors. eta vs tors. theta energy: -143.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1629.035942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.035942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.035942 (E_RNA)
where:
Base-Base interactions energy: -1164.886
where: short stacking energy: -472.642
Base-Backbone interact. energy: -1.975
local terms energy: -462.175483
where:
bonds (distance) C4'-P energy: -82.431
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -92.666
flat angles P-C4'-P energy: -58.671
tors. eta vs tors. theta energy: -148.466
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: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1489.682315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.682315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.682315 (E_RNA)
where:
Base-Base interactions energy: -1053.087
where: short stacking energy: -451.518
Base-Backbone interact. energy: 0.418
local terms energy: -437.013322
where:
bonds (distance) C4'-P energy: -87.529
bonds (distance) P-C4' energy: -65.637
flat angles C4'-P-C4' energy: -83.107
flat angles P-C4'-P energy: -69.089
tors. eta vs tors. theta energy: -131.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1027.154997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.154997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.154997 (E_RNA)
where:
Base-Base interactions energy: -684.006
where: short stacking energy: -280.024
Base-Backbone interact. energy: -1.736
local terms energy: -341.413080
where:
bonds (distance) C4'-P energy: -72.473
bonds (distance) P-C4' energy: -86.309
flat angles C4'-P-C4' energy: -84.915
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -49.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -918.440454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.440454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.440454 (E_RNA)
where:
Base-Base interactions energy: -601.795
where: short stacking energy: -286.959
Base-Backbone interact. energy: 0.617
local terms energy: -317.262229
where:
bonds (distance) C4'-P energy: -72.870
bonds (distance) P-C4' energy: -75.586
flat angles C4'-P-C4' energy: -66.095
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -64.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -680.825653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.825653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.825653 (E_RNA)
where:
Base-Base interactions energy: -380.730
where: short stacking energy: -195.092
Base-Backbone interact. energy: 1.139
local terms energy: -301.235059
where:
bonds (distance) C4'-P energy: -68.193
bonds (distance) P-C4' energy: -86.129
flat angles C4'-P-C4' energy: -87.779
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: -16.728
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: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1819.903823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.903823 (E_RNA)
where:
Base-Base interactions energy: -1264.660
where: short stacking energy: -538.870
Base-Backbone interact. energy: -2.015
local terms energy: -553.229013
where:
bonds (distance) C4'-P energy: -106.079
bonds (distance) P-C4' energy: -100.337
flat angles C4'-P-C4' energy: -108.193
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -164.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1780.566659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.566659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.566659 (E_RNA)
where:
Base-Base interactions energy: -1254.498
where: short stacking energy: -512.068
Base-Backbone interact. energy: -1.530
local terms energy: -524.538774
where:
bonds (distance) C4'-P energy: -97.142
bonds (distance) P-C4' energy: -89.202
flat angles C4'-P-C4' energy: -111.732
flat angles P-C4'-P energy: -73.184
tors. eta vs tors. theta energy: -153.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1731.327410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.327410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.327410 (E_RNA)
where:
Base-Base interactions energy: -1234.587
where: short stacking energy: -499.869
Base-Backbone interact. energy: -1.269
local terms energy: -495.471507
where:
bonds (distance) C4'-P energy: -86.155
bonds (distance) P-C4' energy: -87.993
flat angles C4'-P-C4' energy: -111.842
flat angles P-C4'-P energy: -72.511
tors. eta vs tors. theta energy: -136.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1685.873900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.873900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.873900 (E_RNA)
where:
Base-Base interactions energy: -1192.920
where: short stacking energy: -474.398
Base-Backbone interact. energy: -0.223
local terms energy: -492.731176
where:
bonds (distance) C4'-P energy: -92.474
bonds (distance) P-C4' energy: -87.539
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -138.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1657.138402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.138402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.138402 (E_RNA)
where:
Base-Base interactions energy: -1159.875
where: short stacking energy: -489.621
Base-Backbone interact. energy: -3.135
local terms energy: -494.129114
where:
bonds (distance) C4'-P energy: -86.098
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -92.362
flat angles P-C4'-P energy: -75.088
tors. eta vs tors. theta energy: -149.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1620.554274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.554274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.554274 (E_RNA)
where:
Base-Base interactions energy: -1132.216
where: short stacking energy: -468.709
Base-Backbone interact. energy: -2.613
local terms energy: -485.725251
where:
bonds (distance) C4'-P energy: -95.652
bonds (distance) P-C4' energy: -83.251
flat angles C4'-P-C4' energy: -102.006
flat angles P-C4'-P energy: -74.195
tors. eta vs tors. theta energy: -130.622
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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1472.998257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.998257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.998257 (E_RNA)
where:
Base-Base interactions energy: -1053.221
where: short stacking energy: -428.504
Base-Backbone interact. energy: -0.779
local terms energy: -418.998682
where:
bonds (distance) C4'-P energy: -77.866
bonds (distance) P-C4' energy: -79.154
flat angles C4'-P-C4' energy: -86.772
flat angles P-C4'-P energy: -60.952
tors. eta vs tors. theta energy: -114.255
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1066.975307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.975307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.975307 (E_RNA)
where:
Base-Base interactions energy: -717.643
where: short stacking energy: -308.103
Base-Backbone interact. energy: -0.854
local terms energy: -348.477976
where:
bonds (distance) C4'-P energy: -78.095
bonds (distance) P-C4' energy: -79.086
flat angles C4'-P-C4' energy: -84.201
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -50.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -957.833763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.833763 (E_RNA)
where:
Base-Base interactions energy: -598.314
where: short stacking energy: -277.651
Base-Backbone interact. energy: -2.679
local terms energy: -356.840061
where:
bonds (distance) C4'-P energy: -71.990
bonds (distance) P-C4' energy: -87.818
flat angles C4'-P-C4' energy: -91.571
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -662.813336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.813336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.813336 (E_RNA)
where:
Base-Base interactions energy: -343.681
where: short stacking energy: -175.454
Base-Backbone interact. energy: 1.917
local terms energy: -321.049731
where:
bonds (distance) C4'-P energy: -94.806
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1829.123776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.123776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.123776 (E_RNA)
where:
Base-Base interactions energy: -1266.961
where: short stacking energy: -533.592
Base-Backbone interact. energy: -3.187
local terms energy: -558.975851
where:
bonds (distance) C4'-P energy: -91.622
bonds (distance) P-C4' energy: -107.133
flat angles C4'-P-C4' energy: -113.149
flat angles P-C4'-P energy: -79.915
tors. eta vs tors. theta energy: -167.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1791.364453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.364453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.364453 (E_RNA)
where:
Base-Base interactions energy: -1283.563
where: short stacking energy: -514.770
Base-Backbone interact. energy: -1.289
local terms energy: -506.512142
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -91.476
flat angles C4'-P-C4' energy: -108.459
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -144.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1725.413950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.413950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.413950 (E_RNA)
where:
Base-Base interactions energy: -1219.222
where: short stacking energy: -504.373
Base-Backbone interact. energy: -2.519
local terms energy: -503.672637
where:
bonds (distance) C4'-P energy: -90.984
bonds (distance) P-C4' energy: -85.748
flat angles C4'-P-C4' energy: -112.973
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -140.870
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: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1684.748935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.748935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.748935 (E_RNA)
where:
Base-Base interactions energy: -1200.170
where: short stacking energy: -490.147
Base-Backbone interact. energy: -1.878
local terms energy: -482.701353
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -83.250
flat angles C4'-P-C4' energy: -102.964
flat angles P-C4'-P energy: -66.727
tors. eta vs tors. theta energy: -137.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1655.523641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.523641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.523641 (E_RNA)
where:
Base-Base interactions energy: -1162.736
where: short stacking energy: -474.744
Base-Backbone interact. energy: -0.784
local terms energy: -492.002987
where:
bonds (distance) C4'-P energy: -94.599
bonds (distance) P-C4' energy: -85.220
flat angles C4'-P-C4' energy: -100.402
flat angles P-C4'-P energy: -75.482
tors. eta vs tors. theta energy: -136.300
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: 399
Temperature: 1.150000
Total energy: -1569.176208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.176208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.176208 (E_RNA)
where:
Base-Base interactions energy: -1098.014
where: short stacking energy: -456.610
Base-Backbone interact. energy: 0.186
local terms energy: -471.348504
where:
bonds (distance) C4'-P energy: -83.624
bonds (distance) P-C4' energy: -88.635
flat angles C4'-P-C4' energy: -93.687
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -136.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1510.592239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.592239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.592239 (E_RNA)
where:
Base-Base interactions energy: -1066.278
where: short stacking energy: -412.718
Base-Backbone interact. energy: 3.168
local terms energy: -447.481937
where:
bonds (distance) C4'-P energy: -84.894
bonds (distance) P-C4' energy: -93.534
flat angles C4'-P-C4' energy: -85.288
flat angles P-C4'-P energy: -65.321
tors. eta vs tors. theta energy: -118.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1097.716173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.716173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.716173 (E_RNA)
where:
Base-Base interactions energy: -747.076
where: short stacking energy: -330.902
Base-Backbone interact. energy: 4.769
local terms energy: -355.409637
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -79.594
flat angles C4'-P-C4' energy: -82.921
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: -63.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -936.960880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.960880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.960880 (E_RNA)
where:
Base-Base interactions energy: -600.838
where: short stacking energy: -270.995
Base-Backbone interact. energy: 2.338
local terms energy: -338.460910
where:
bonds (distance) C4'-P energy: -82.818
bonds (distance) P-C4' energy: -79.408
flat angles C4'-P-C4' energy: -74.843
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -710.531320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.531320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.531320 (E_RNA)
where:
Base-Base interactions energy: -433.836
where: short stacking energy: -209.431
Base-Backbone interact. energy: 1.418
local terms energy: -278.113006
where:
bonds (distance) C4'-P energy: -70.533
bonds (distance) P-C4' energy: -82.793
flat angles C4'-P-C4' energy: -72.428
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1826.640274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.640274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.640274 (E_RNA)
where:
Base-Base interactions energy: -1296.733
where: short stacking energy: -537.943
Base-Backbone interact. energy: -3.441
local terms energy: -526.465968
where:
bonds (distance) C4'-P energy: -94.472
bonds (distance) P-C4' energy: -86.047
flat angles C4'-P-C4' energy: -114.636
flat angles P-C4'-P energy: -68.745
tors. eta vs tors. theta energy: -162.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1792.916478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.916478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.916478 (E_RNA)
where:
Base-Base interactions energy: -1257.499
where: short stacking energy: -515.454
Base-Backbone interact. energy: -3.298
local terms energy: -532.119564
where:
bonds (distance) C4'-P energy: -95.696
bonds (distance) P-C4' energy: -102.386
flat angles C4'-P-C4' energy: -107.417
flat angles P-C4'-P energy: -80.194
tors. eta vs tors. theta energy: -146.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1742.824994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.824994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.824994 (E_RNA)
where:
Base-Base interactions energy: -1233.529
where: short stacking energy: -517.621
Base-Backbone interact. energy: -0.724
local terms energy: -508.571920
where:
bonds (distance) C4'-P energy: -77.443
bonds (distance) P-C4' energy: -94.585
flat angles C4'-P-C4' energy: -109.339
flat angles P-C4'-P energy: -77.825
tors. eta vs tors. theta energy: -149.381
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: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1703.049591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.049591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.049591 (E_RNA)
where:
Base-Base interactions energy: -1208.467
where: short stacking energy: -498.090
Base-Backbone interact. energy: -0.488
local terms energy: -494.095013
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -77.963
flat angles C4'-P-C4' energy: -114.703
flat angles P-C4'-P energy: -78.685
tors. eta vs tors. theta energy: -135.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1632.253737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.253737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.253737 (E_RNA)
where:
Base-Base interactions energy: -1156.449
where: short stacking energy: -476.387
Base-Backbone interact. energy: 0.039
local terms energy: -475.843376
where:
bonds (distance) C4'-P energy: -94.563
bonds (distance) P-C4' energy: -90.566
flat angles C4'-P-C4' energy: -98.424
flat angles P-C4'-P energy: -69.197
tors. eta vs tors. theta energy: -123.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1571.758224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.758224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.758224 (E_RNA)
where:
Base-Base interactions energy: -1128.546
where: short stacking energy: -452.446
Base-Backbone interact. energy: 0.663
local terms energy: -443.874378
where:
bonds (distance) C4'-P energy: -77.095
bonds (distance) P-C4' energy: -94.970
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -65.458
tors. eta vs tors. theta energy: -126.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1516.047796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.047796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.047796 (E_RNA)
where:
Base-Base interactions energy: -1065.435
where: short stacking energy: -457.302
Base-Backbone interact. energy: -2.371
local terms energy: -448.242696
where:
bonds (distance) C4'-P energy: -84.334
bonds (distance) P-C4' energy: -76.027
flat angles C4'-P-C4' energy: -101.596
flat angles P-C4'-P energy: -60.413
tors. eta vs tors. theta energy: -125.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1068.459880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.459880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.459880 (E_RNA)
where:
Base-Base interactions energy: -670.787
where: short stacking energy: -305.987
Base-Backbone interact. energy: -0.857
local terms energy: -396.816213
where:
bonds (distance) C4'-P energy: -88.919
bonds (distance) P-C4' energy: -82.916
flat angles C4'-P-C4' energy: -92.357
flat angles P-C4'-P energy: -63.037
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -977.301137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.301137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.301137 (E_RNA)
where:
Base-Base interactions energy: -617.803
where: short stacking energy: -278.996
Base-Backbone interact. energy: -1.463
local terms energy: -358.035474
where:
bonds (distance) C4'-P energy: -76.804
bonds (distance) P-C4' energy: -71.137
flat angles C4'-P-C4' energy: -96.386
flat angles P-C4'-P energy: -56.255
tors. eta vs tors. theta energy: -57.453
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: 400
Temperature: 1.350000
Total energy: -684.135377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.135377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.135377 (E_RNA)
where:
Base-Base interactions energy: -426.469
where: short stacking energy: -199.993
Base-Backbone interact. energy: 0.335
local terms energy: -258.000893
where:
bonds (distance) C4'-P energy: -53.890
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -38.932
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1847.736603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.736603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.736603 (E_RNA)
where:
Base-Base interactions energy: -1298.337
where: short stacking energy: -544.656
Base-Backbone interact. energy: -2.839
local terms energy: -546.560640
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -107.815
flat angles C4'-P-C4' energy: -109.810
flat angles P-C4'-P energy: -78.258
tors. eta vs tors. theta energy: -158.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1790.300057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.300057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.300057 (E_RNA)
where:
Base-Base interactions energy: -1254.165
where: short stacking energy: -522.064
Base-Backbone interact. energy: -0.977
local terms energy: -535.158099
where:
bonds (distance) C4'-P energy: -86.283
bonds (distance) P-C4' energy: -104.523
flat angles C4'-P-C4' energy: -103.245
flat angles P-C4'-P energy: -87.561
tors. eta vs tors. theta energy: -153.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1745.972497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.972497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.972497 (E_RNA)
where:
Base-Base interactions energy: -1228.528
where: short stacking energy: -493.654
Base-Backbone interact. energy: -1.282
local terms energy: -516.162588
where:
bonds (distance) C4'-P energy: -92.377
bonds (distance) P-C4' energy: -95.515
flat angles C4'-P-C4' energy: -112.680
flat angles P-C4'-P energy: -72.428
tors. eta vs tors. theta energy: -143.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1706.905002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.905002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.905002 (E_RNA)
where:
Base-Base interactions energy: -1229.731
where: short stacking energy: -491.492
Base-Backbone interact. energy: 0.964
local terms energy: -478.137932
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -89.427
flat angles C4'-P-C4' energy: -99.792
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -136.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1643.746080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.746080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.746080 (E_RNA)
where:
Base-Base interactions energy: -1153.082
where: short stacking energy: -468.794
Base-Backbone interact. energy: -1.301
local terms energy: -489.363985
where:
bonds (distance) C4'-P energy: -95.211
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -96.705
flat angles P-C4'-P energy: -71.460
tors. eta vs tors. theta energy: -134.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1552.079766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.079766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.079766 (E_RNA)
where:
Base-Base interactions energy: -1079.945
where: short stacking energy: -435.809
Base-Backbone interact. energy: 2.372
local terms energy: -474.506592
where:
bonds (distance) C4'-P energy: -79.314
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -100.125
flat angles P-C4'-P energy: -66.028
tors. eta vs tors. theta energy: -134.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1534.769568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.769568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.769568 (E_RNA)
where:
Base-Base interactions energy: -1076.122
where: short stacking energy: -442.198
Base-Backbone interact. energy: -1.194
local terms energy: -457.454018
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -77.731
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -74.884
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: 401
Temperature: 1.250000
Total energy: -1070.659205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.659205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.659205 (E_RNA)
where:
Base-Base interactions energy: -692.799
where: short stacking energy: -296.725
Base-Backbone interact. energy: 2.507
local terms energy: -380.366534
where:
bonds (distance) C4'-P energy: -76.499
bonds (distance) P-C4' energy: -86.291
flat angles C4'-P-C4' energy: -89.680
flat angles P-C4'-P energy: -54.384
tors. eta vs tors. theta energy: -73.512
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: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -926.919999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.919999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.919999 (E_RNA)
where:
Base-Base interactions energy: -609.957
where: short stacking energy: -287.782
Base-Backbone interact. energy: -3.304
local terms energy: -313.658446
where:
bonds (distance) C4'-P energy: -66.449
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -55.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -689.475382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.475382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.475382 (E_RNA)
where:
Base-Base interactions energy: -386.536
where: short stacking energy: -195.726
Base-Backbone interact. energy: -0.828
local terms energy: -302.112026
where:
bonds (distance) C4'-P energy: -75.111
bonds (distance) P-C4' energy: -88.516
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -24.390
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: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1830.029141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.029141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.029141 (E_RNA)
where:
Base-Base interactions energy: -1288.462
where: short stacking energy: -545.065
Base-Backbone interact. energy: -0.160
local terms energy: -541.406834
where:
bonds (distance) C4'-P energy: -99.796
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -104.354
flat angles P-C4'-P energy: -78.946
tors. eta vs tors. theta energy: -159.226
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: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1768.491666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.491666 (E_RNA)
where:
Base-Base interactions energy: -1240.273
where: short stacking energy: -527.496
Base-Backbone interact. energy: -1.362
local terms energy: -526.855989
where:
bonds (distance) C4'-P energy: -89.486
bonds (distance) P-C4' energy: -98.244
flat angles C4'-P-C4' energy: -112.311
flat angles P-C4'-P energy: -76.676
tors. eta vs tors. theta energy: -150.139
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: 402
Temperature: 1.000000
Total energy: -1756.203906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.203906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.203906 (E_RNA)
where:
Base-Base interactions energy: -1236.428
where: short stacking energy: -514.652
Base-Backbone interact. energy: -0.419
local terms energy: -519.357512
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -90.961
flat angles C4'-P-C4' energy: -111.829
flat angles P-C4'-P energy: -70.510
tors. eta vs tors. theta energy: -156.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1710.756588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.756588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.756588 (E_RNA)
where:
Base-Base interactions energy: -1214.922
where: short stacking energy: -487.301
Base-Backbone interact. energy: -0.085
local terms energy: -495.749571
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -106.393
flat angles P-C4'-P energy: -66.502
tors. eta vs tors. theta energy: -146.014
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: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1625.642591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.642591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.642591 (E_RNA)
where:
Base-Base interactions energy: -1160.175
where: short stacking energy: -468.555
Base-Backbone interact. energy: -2.857
local terms energy: -462.610649
where:
bonds (distance) C4'-P energy: -79.836
bonds (distance) P-C4' energy: -81.282
flat angles C4'-P-C4' energy: -96.829
flat angles P-C4'-P energy: -77.964
tors. eta vs tors. theta energy: -126.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1558.198042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.198042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.198042 (E_RNA)
where:
Base-Base interactions energy: -1093.222
where: short stacking energy: -455.780
Base-Backbone interact. energy: 1.504
local terms energy: -466.480263
where:
bonds (distance) C4'-P energy: -73.157
bonds (distance) P-C4' energy: -86.337
flat angles C4'-P-C4' energy: -100.018
flat angles P-C4'-P energy: -68.602
tors. eta vs tors. theta energy: -138.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1528.376770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.376770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.376770 (E_RNA)
where:
Base-Base interactions energy: -1085.299
where: short stacking energy: -431.885
Base-Backbone interact. energy: -2.669
local terms energy: -440.408770
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -78.656
flat angles C4'-P-C4' energy: -94.039
flat angles P-C4'-P energy: -65.435
tors. eta vs tors. theta energy: -126.398
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: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1067.638684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.638684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.638684 (E_RNA)
where:
Base-Base interactions energy: -692.095
where: short stacking energy: -301.139
Base-Backbone interact. energy: 1.233
local terms energy: -376.776991
where:
bonds (distance) C4'-P energy: -90.769
bonds (distance) P-C4' energy: -82.268
flat angles C4'-P-C4' energy: -68.606
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -78.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -954.654176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.654176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.654176 (E_RNA)
where:
Base-Base interactions energy: -633.272
where: short stacking energy: -296.105
Base-Backbone interact. energy: -0.583
local terms energy: -320.798912
where:
bonds (distance) C4'-P energy: -74.729
bonds (distance) P-C4' energy: -77.954
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -57.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -687.929159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.929159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.929159 (E_RNA)
where:
Base-Base interactions energy: -384.375
where: short stacking energy: -193.255
Base-Backbone interact. energy: -3.514
local terms energy: -300.040454
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -79.946
flat angles C4'-P-C4' energy: -76.780
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -19.027
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: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1834.571412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.571412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.571412 (E_RNA)
where:
Base-Base interactions energy: -1305.796
where: short stacking energy: -548.603
Base-Backbone interact. energy: -2.433
local terms energy: -526.342784
where:
bonds (distance) C4'-P energy: -96.549
bonds (distance) P-C4' energy: -92.111
flat angles C4'-P-C4' energy: -109.422
flat angles P-C4'-P energy: -66.883
tors. eta vs tors. theta energy: -161.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1793.435530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.435530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.435530 (E_RNA)
where:
Base-Base interactions energy: -1262.542
where: short stacking energy: -533.575
Base-Backbone interact. energy: -0.441
local terms energy: -530.452865
where:
bonds (distance) C4'-P energy: -99.092
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -107.689
flat angles P-C4'-P energy: -75.438
tors. eta vs tors. theta energy: -159.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1735.881970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.881970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.881970 (E_RNA)
where:
Base-Base interactions energy: -1222.159
where: short stacking energy: -489.874
Base-Backbone interact. energy: -3.701
local terms energy: -510.022217
where:
bonds (distance) C4'-P energy: -80.481
bonds (distance) P-C4' energy: -90.225
flat angles C4'-P-C4' energy: -117.137
flat angles P-C4'-P energy: -73.155
tors. eta vs tors. theta energy: -149.024
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1695.557697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.557697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.557697 (E_RNA)
where:
Base-Base interactions energy: -1209.147
where: short stacking energy: -497.457
Base-Backbone interact. energy: -1.753
local terms energy: -484.657994
where:
bonds (distance) C4'-P energy: -86.183
bonds (distance) P-C4' energy: -93.840
flat angles C4'-P-C4' energy: -104.678
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -142.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1618.552435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.552435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.552435 (E_RNA)
where:
Base-Base interactions energy: -1135.118
where: short stacking energy: -482.355
Base-Backbone interact. energy: -1.708
local terms energy: -481.726575
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -93.359
flat angles C4'-P-C4' energy: -105.246
flat angles P-C4'-P energy: -64.113
tors. eta vs tors. theta energy: -134.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1570.666153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.666153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.666153 (E_RNA)
where:
Base-Base interactions energy: -1114.602
where: short stacking energy: -460.764
Base-Backbone interact. energy: -1.651
local terms energy: -454.413520
where:
bonds (distance) C4'-P energy: -84.984
bonds (distance) P-C4' energy: -72.165
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -65.949
tors. eta vs tors. theta energy: -132.787
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1467.032603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.032603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.032603 (E_RNA)
where:
Base-Base interactions energy: -1057.416
where: short stacking energy: -441.200
Base-Backbone interact. energy: -2.183
local terms energy: -407.434372
where:
bonds (distance) C4'-P energy: -82.720
bonds (distance) P-C4' energy: -73.170
flat angles C4'-P-C4' energy: -69.370
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -123.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1082.155899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.155899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.155899 (E_RNA)
where:
Base-Base interactions energy: -698.091
where: short stacking energy: -314.826
Base-Backbone interact. energy: -0.795
local terms energy: -383.269765
where:
bonds (distance) C4'-P energy: -72.767
bonds (distance) P-C4' energy: -85.868
flat angles C4'-P-C4' energy: -93.555
flat angles P-C4'-P energy: -52.523
tors. eta vs tors. theta energy: -78.557
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: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -949.751025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.751025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.751025 (E_RNA)
where:
Base-Base interactions energy: -606.929
where: short stacking energy: -260.328
Base-Backbone interact. energy: 3.894
local terms energy: -346.716170
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -79.669
flat angles C4'-P-C4' energy: -80.339
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -715.714598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.714598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.714598 (E_RNA)
where:
Base-Base interactions energy: -410.728
where: short stacking energy: -214.802
Base-Backbone interact. energy: 1.873
local terms energy: -306.859784
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -74.634
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1851.897298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.897298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.897298 (E_RNA)
where:
Base-Base interactions energy: -1299.839
where: short stacking energy: -542.323
Base-Backbone interact. energy: -1.599
local terms energy: -550.459422
where:
bonds (distance) C4'-P energy: -95.700
bonds (distance) P-C4' energy: -98.337
flat angles C4'-P-C4' energy: -118.090
flat angles P-C4'-P energy: -75.499
tors. eta vs tors. theta energy: -162.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1783.587162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.587162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.587162 (E_RNA)
where:
Base-Base interactions energy: -1247.338
where: short stacking energy: -510.445
Base-Backbone interact. energy: -3.765
local terms energy: -532.484169
where:
bonds (distance) C4'-P energy: -95.376
bonds (distance) P-C4' energy: -98.809
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -75.871
tors. eta vs tors. theta energy: -158.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1729.473702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.473702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.473702 (E_RNA)
where:
Base-Base interactions energy: -1215.383
where: short stacking energy: -482.230
Base-Backbone interact. energy: -2.018
local terms energy: -512.072486
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -103.293
flat angles C4'-P-C4' energy: -105.287
flat angles P-C4'-P energy: -74.287
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: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1748.360221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.360221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.360221 (E_RNA)
where:
Base-Base interactions energy: -1233.443
where: short stacking energy: -509.396
Base-Backbone interact. energy: -1.120
local terms energy: -513.797345
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -91.941
flat angles C4'-P-C4' energy: -106.665
flat angles P-C4'-P energy: -69.953
tors. eta vs tors. theta energy: -152.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1611.717379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.717379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.717379 (E_RNA)
where:
Base-Base interactions energy: -1132.495
where: short stacking energy: -474.131
Base-Backbone interact. energy: 0.808
local terms energy: -480.029984
where:
bonds (distance) C4'-P energy: -83.090
bonds (distance) P-C4' energy: -95.605
flat angles C4'-P-C4' energy: -106.464
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -136.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1598.893580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.893580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.893580 (E_RNA)
where:
Base-Base interactions energy: -1121.923
where: short stacking energy: -455.640
Base-Backbone interact. energy: 1.199
local terms energy: -478.169395
where:
bonds (distance) C4'-P energy: -88.183
bonds (distance) P-C4' energy: -90.221
flat angles C4'-P-C4' energy: -98.080
flat angles P-C4'-P energy: -66.035
tors. eta vs tors. theta energy: -135.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1544.454009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.454009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.454009 (E_RNA)
where:
Base-Base interactions energy: -1086.339
where: short stacking energy: -434.806
Base-Backbone interact. energy: -2.900
local terms energy: -455.214678
where:
bonds (distance) C4'-P energy: -75.832
bonds (distance) P-C4' energy: -76.386
flat angles C4'-P-C4' energy: -106.178
flat angles P-C4'-P energy: -63.817
tors. eta vs tors. theta energy: -133.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1051.937365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.937365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.937365 (E_RNA)
where:
Base-Base interactions energy: -689.842
where: short stacking energy: -315.685
Base-Backbone interact. energy: 0.068
local terms energy: -362.163261
where:
bonds (distance) C4'-P energy: -66.372
bonds (distance) P-C4' energy: -83.600
flat angles C4'-P-C4' energy: -87.647
flat angles P-C4'-P energy: -53.741
tors. eta vs tors. theta energy: -70.802
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: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -950.040525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.040525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.040525 (E_RNA)
where:
Base-Base interactions energy: -587.868
where: short stacking energy: -283.648
Base-Backbone interact. energy: -1.811
local terms energy: -360.360833
where:
bonds (distance) C4'-P energy: -71.680
bonds (distance) P-C4' energy: -76.936
flat angles C4'-P-C4' energy: -96.117
flat angles P-C4'-P energy: -59.784
tors. eta vs tors. theta energy: -55.844
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: 404
Temperature: 1.350000
Total energy: -719.339587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.339587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.339587 (E_RNA)
where:
Base-Base interactions energy: -424.035
where: short stacking energy: -211.943
Base-Backbone interact. energy: 0.074
local terms energy: -295.378484
where:
bonds (distance) C4'-P energy: -81.999
bonds (distance) P-C4' energy: -75.980
flat angles C4'-P-C4' energy: -65.480
flat angles P-C4'-P energy: -42.659
tors. eta vs tors. theta energy: -29.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1852.891318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.891318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.891318 (E_RNA)
where:
Base-Base interactions energy: -1310.525
where: short stacking energy: -557.316
Base-Backbone interact. energy: -2.083
local terms energy: -540.283508
where:
bonds (distance) C4'-P energy: -91.949
bonds (distance) P-C4' energy: -86.409
flat angles C4'-P-C4' energy: -116.886
flat angles P-C4'-P energy: -79.900
tors. eta vs tors. theta energy: -165.139
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: 405
Temperature: 0.950000
Total energy: -1776.291207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.291207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.291207 (E_RNA)
where:
Base-Base interactions energy: -1271.178
where: short stacking energy: -519.883
Base-Backbone interact. energy: -1.757
local terms energy: -503.356823
where:
bonds (distance) C4'-P energy: -86.261
bonds (distance) P-C4' energy: -88.966
flat angles C4'-P-C4' energy: -103.460
flat angles P-C4'-P energy: -69.017
tors. eta vs tors. theta energy: -155.654
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: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1709.403129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.403129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.403129 (E_RNA)
where:
Base-Base interactions energy: -1197.146
where: short stacking energy: -523.028
Base-Backbone interact. energy: -1.883
local terms energy: -510.373845
where:
bonds (distance) C4'-P energy: -80.006
bonds (distance) P-C4' energy: -99.625
flat angles C4'-P-C4' energy: -110.557
flat angles P-C4'-P energy: -75.109
tors. eta vs tors. theta energy: -145.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1705.787840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.787840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.787840 (E_RNA)
where:
Base-Base interactions energy: -1191.932
where: short stacking energy: -485.764
Base-Backbone interact. energy: -2.072
local terms energy: -511.783151
where:
bonds (distance) C4'-P energy: -82.989
bonds (distance) P-C4' energy: -92.934
flat angles C4'-P-C4' energy: -109.535
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -144.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1628.003692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.003692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.003692 (E_RNA)
where:
Base-Base interactions energy: -1156.061
where: short stacking energy: -467.945
Base-Backbone interact. energy: 0.138
local terms energy: -472.080860
where:
bonds (distance) C4'-P energy: -72.728
bonds (distance) P-C4' energy: -92.238
flat angles C4'-P-C4' energy: -102.411
flat angles P-C4'-P energy: -67.368
tors. eta vs tors. theta energy: -137.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1572.762376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.762376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.762376 (E_RNA)
where:
Base-Base interactions energy: -1088.555
where: short stacking energy: -455.107
Base-Backbone interact. energy: 0.511
local terms energy: -484.718662
where:
bonds (distance) C4'-P energy: -86.640
bonds (distance) P-C4' energy: -90.582
flat angles C4'-P-C4' energy: -99.471
flat angles P-C4'-P energy: -68.381
tors. eta vs tors. theta energy: -139.645
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: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1461.228652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.228652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.228652 (E_RNA)
where:
Base-Base interactions energy: -1060.561
where: short stacking energy: -419.241
Base-Backbone interact. energy: 4.414
local terms energy: -405.081556
where:
bonds (distance) C4'-P energy: -63.009
bonds (distance) P-C4' energy: -77.598
flat angles C4'-P-C4' energy: -92.817
flat angles P-C4'-P energy: -54.484
tors. eta vs tors. theta energy: -117.174
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: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1015.709530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.709530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.709530 (E_RNA)
where:
Base-Base interactions energy: -656.492
where: short stacking energy: -322.076
Base-Backbone interact. energy: 0.830
local terms energy: -360.048110
where:
bonds (distance) C4'-P energy: -76.411
bonds (distance) P-C4' energy: -68.153
flat angles C4'-P-C4' energy: -94.883
flat angles P-C4'-P energy: -49.386
tors. eta vs tors. theta energy: -71.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1082.506471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.506471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.506471 (E_RNA)
where:
Base-Base interactions energy: -724.201
where: short stacking energy: -292.862
Base-Backbone interact. energy: -0.369
local terms energy: -357.936598
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -84.980
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -91.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -689.996938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.996938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.996938 (E_RNA)
where:
Base-Base interactions energy: -396.425
where: short stacking energy: -192.930
Base-Backbone interact. energy: -0.838
local terms energy: -292.734483
where:
bonds (distance) C4'-P energy: -69.100
bonds (distance) P-C4' energy: -87.335
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1836.618910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.618910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.618910 (E_RNA)
where:
Base-Base interactions energy: -1297.288
where: short stacking energy: -548.916
Base-Backbone interact. energy: -2.382
local terms energy: -536.949161
where:
bonds (distance) C4'-P energy: -97.098
bonds (distance) P-C4' energy: -94.959
flat angles C4'-P-C4' energy: -114.794
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -154.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1777.321261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.321261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.321261 (E_RNA)
where:
Base-Base interactions energy: -1257.768
where: short stacking energy: -525.810
Base-Backbone interact. energy: -0.021
local terms energy: -519.532625
where:
bonds (distance) C4'-P energy: -98.024
bonds (distance) P-C4' energy: -89.160
flat angles C4'-P-C4' energy: -107.425
flat angles P-C4'-P energy: -76.368
tors. eta vs tors. theta energy: -148.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1714.882755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.882755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.882755 (E_RNA)
where:
Base-Base interactions energy: -1192.165
where: short stacking energy: -508.579
Base-Backbone interact. energy: -2.231
local terms energy: -520.487160
where:
bonds (distance) C4'-P energy: -92.573
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -115.454
flat angles P-C4'-P energy: -70.756
tors. eta vs tors. theta energy: -145.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1749.065712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.065712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.065712 (E_RNA)
where:
Base-Base interactions energy: -1240.562
where: short stacking energy: -492.412
Base-Backbone interact. energy: -0.572
local terms energy: -507.931559
where:
bonds (distance) C4'-P energy: -98.721
bonds (distance) P-C4' energy: -81.614
flat angles C4'-P-C4' energy: -109.640
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -150.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1644.797104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.797104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.797104 (E_RNA)
where:
Base-Base interactions energy: -1136.516
where: short stacking energy: -458.972
Base-Backbone interact. energy: -3.783
local terms energy: -504.497810
where:
bonds (distance) C4'-P energy: -90.725
bonds (distance) P-C4' energy: -92.417
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -77.474
tors. eta vs tors. theta energy: -138.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1585.767441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.767441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.767441 (E_RNA)
where:
Base-Base interactions energy: -1140.374
where: short stacking energy: -471.192
Base-Backbone interact. energy: -1.107
local terms energy: -444.286462
where:
bonds (distance) C4'-P energy: -67.617
bonds (distance) P-C4' energy: -77.718
flat angles C4'-P-C4' energy: -99.487
flat angles P-C4'-P energy: -58.056
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: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1488.095201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.095201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.095201 (E_RNA)
where:
Base-Base interactions energy: -1053.663
where: short stacking energy: -413.865
Base-Backbone interact. energy: -0.506
local terms energy: -433.926251
where:
bonds (distance) C4'-P energy: -86.331
bonds (distance) P-C4' energy: -86.438
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -51.476
tors. eta vs tors. theta energy: -123.658
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: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -987.668688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.668688 (E_RNA)
where:
Base-Base interactions energy: -625.691
where: short stacking energy: -306.741
Base-Backbone interact. energy: -1.267
local terms energy: -360.710644
where:
bonds (distance) C4'-P energy: -70.664
bonds (distance) P-C4' energy: -78.637
flat angles C4'-P-C4' energy: -89.144
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: -70.854
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: 406
Temperature: 1.300000
Total energy: -999.774263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.774263 (E_RNA)
where:
Base-Base interactions energy: -665.550
where: short stacking energy: -306.777
Base-Backbone interact. energy: 0.138
local terms energy: -334.361543
where:
bonds (distance) C4'-P energy: -71.455
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -54.638
tors. eta vs tors. theta energy: -64.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -676.435479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.435479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.435479 (E_RNA)
where:
Base-Base interactions energy: -405.402
where: short stacking energy: -221.297
Base-Backbone interact. energy: -1.266
local terms energy: -269.767634
where:
bonds (distance) C4'-P energy: -72.790
bonds (distance) P-C4' energy: -64.146
flat angles C4'-P-C4' energy: -88.392
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -7.874
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: 407
Temperature: 0.900000
Total energy: -1840.991198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.991198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.991198 (E_RNA)
where:
Base-Base interactions energy: -1292.931
where: short stacking energy: -556.855
Base-Backbone interact. energy: -0.888
local terms energy: -547.172482
where:
bonds (distance) C4'-P energy: -100.030
bonds (distance) P-C4' energy: -89.705
flat angles C4'-P-C4' energy: -109.177
flat angles P-C4'-P energy: -80.967
tors. eta vs tors. theta energy: -167.293
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: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1757.983627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.983627 (E_RNA)
where:
Base-Base interactions energy: -1251.342
where: short stacking energy: -508.286
Base-Backbone interact. energy: -1.683
local terms energy: -504.958984
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -92.920
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -75.237
tors. eta vs tors. theta energy: -137.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1739.350004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.350004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.350004 (E_RNA)
where:
Base-Base interactions energy: -1230.969
where: short stacking energy: -475.368
Base-Backbone interact. energy: 0.300
local terms energy: -508.680836
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -96.882
flat angles C4'-P-C4' energy: -105.552
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -145.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1692.034014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.034014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.034014 (E_RNA)
where:
Base-Base interactions energy: -1196.279
where: short stacking energy: -492.990
Base-Backbone interact. energy: 0.812
local terms energy: -496.566959
where:
bonds (distance) C4'-P energy: -88.180
bonds (distance) P-C4' energy: -87.468
flat angles C4'-P-C4' energy: -102.742
flat angles P-C4'-P energy: -69.856
tors. eta vs tors. theta energy: -148.321
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: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1685.636670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.636670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.636670 (E_RNA)
where:
Base-Base interactions energy: -1212.747
where: short stacking energy: -513.645
Base-Backbone interact. energy: -1.651
local terms energy: -471.238565
where:
bonds (distance) C4'-P energy: -78.827
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -104.915
flat angles P-C4'-P energy: -70.650
tors. eta vs tors. theta energy: -149.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1587.450832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.450832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.450832 (E_RNA)
where:
Base-Base interactions energy: -1117.675
where: short stacking energy: -459.409
Base-Backbone interact. energy: 0.646
local terms energy: -470.421632
where:
bonds (distance) C4'-P energy: -76.491
bonds (distance) P-C4' energy: -86.921
flat angles C4'-P-C4' energy: -98.346
flat angles P-C4'-P energy: -74.058
tors. eta vs tors. theta energy: -134.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1530.243149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.243149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.243149 (E_RNA)
where:
Base-Base interactions energy: -1071.234
where: short stacking energy: -443.799
Base-Backbone interact. energy: -1.002
local terms energy: -458.007197
where:
bonds (distance) C4'-P energy: -84.743
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -104.954
flat angles P-C4'-P energy: -63.134
tors. eta vs tors. theta energy: -119.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1031.668258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.668258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.668258 (E_RNA)
where:
Base-Base interactions energy: -653.633
where: short stacking energy: -326.091
Base-Backbone interact. energy: 0.372
local terms energy: -378.407107
where:
bonds (distance) C4'-P energy: -71.458
bonds (distance) P-C4' energy: -83.577
flat angles C4'-P-C4' energy: -92.877
flat angles P-C4'-P energy: -60.339
tors. eta vs tors. theta energy: -70.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -951.856258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.856258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.856258 (E_RNA)
where:
Base-Base interactions energy: -592.409
where: short stacking energy: -261.988
Base-Backbone interact. energy: 2.628
local terms energy: -362.075726
where:
bonds (distance) C4'-P energy: -92.208
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -84.926
flat angles P-C4'-P energy: -32.514
tors. eta vs tors. theta energy: -55.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -679.344481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.344481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.344481 (E_RNA)
where:
Base-Base interactions energy: -343.972
where: short stacking energy: -182.005
Base-Backbone interact. energy: 0.013
local terms energy: -335.385302
where:
bonds (distance) C4'-P energy: -87.720
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -83.951
flat angles P-C4'-P energy: -56.957
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1857.161982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.161982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.161982 (E_RNA)
where:
Base-Base interactions energy: -1286.566
where: short stacking energy: -546.782
Base-Backbone interact. energy: -4.459
local terms energy: -566.137085
where:
bonds (distance) C4'-P energy: -98.553
bonds (distance) P-C4' energy: -101.263
flat angles C4'-P-C4' energy: -115.557
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -165.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1783.714448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.714448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.714448 (E_RNA)
where:
Base-Base interactions energy: -1237.580
where: short stacking energy: -532.805
Base-Backbone interact. energy: -2.194
local terms energy: -543.940752
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -107.218
flat angles C4'-P-C4' energy: -111.670
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -152.389
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1727.635840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.635840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.635840 (E_RNA)
where:
Base-Base interactions energy: -1222.509
where: short stacking energy: -497.665
Base-Backbone interact. energy: -1.030
local terms energy: -504.096850
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -98.099
flat angles C4'-P-C4' energy: -106.690
flat angles P-C4'-P energy: -72.030
tors. eta vs tors. theta energy: -143.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1670.287465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.287465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.287465 (E_RNA)
where:
Base-Base interactions energy: -1193.659
where: short stacking energy: -497.668
Base-Backbone interact. energy: 0.268
local terms energy: -476.895927
where:
bonds (distance) C4'-P energy: -90.673
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -97.402
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -141.133
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: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1664.589326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.589326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.589326 (E_RNA)
where:
Base-Base interactions energy: -1185.725
where: short stacking energy: -485.583
Base-Backbone interact. energy: 0.969
local terms energy: -479.833835
where:
bonds (distance) C4'-P energy: -76.219
bonds (distance) P-C4' energy: -83.600
flat angles C4'-P-C4' energy: -103.959
flat angles P-C4'-P energy: -71.472
tors. eta vs tors. theta energy: -144.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1572.655339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.655339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.655339 (E_RNA)
where:
Base-Base interactions energy: -1105.551
where: short stacking energy: -434.440
Base-Backbone interact. energy: -0.300
local terms energy: -466.804583
where:
bonds (distance) C4'-P energy: -77.412
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -99.334
flat angles P-C4'-P energy: -72.913
tors. eta vs tors. theta energy: -130.563
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: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1516.907640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.907640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.907640 (E_RNA)
where:
Base-Base interactions energy: -1063.664
where: short stacking energy: -431.444
Base-Backbone interact. energy: 0.957
local terms energy: -454.200433
where:
bonds (distance) C4'-P energy: -87.319
bonds (distance) P-C4' energy: -74.175
flat angles C4'-P-C4' energy: -97.608
flat angles P-C4'-P energy: -74.168
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: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1044.212157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.212157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.212157 (E_RNA)
where:
Base-Base interactions energy: -666.341
where: short stacking energy: -290.640
Base-Backbone interact. energy: 0.896
local terms energy: -378.767183
where:
bonds (distance) C4'-P energy: -90.490
bonds (distance) P-C4' energy: -84.778
flat angles C4'-P-C4' energy: -83.703
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -71.325
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: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -971.536897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.536897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.536897 (E_RNA)
where:
Base-Base interactions energy: -640.369
where: short stacking energy: -281.388
Base-Backbone interact. energy: -0.872
local terms energy: -330.295936
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -88.732
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -49.235
tors. eta vs tors. theta energy: -61.590
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: 408
Temperature: 1.350000
Total energy: -752.076761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.076761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.076761 (E_RNA)
where:
Base-Base interactions energy: -423.672
where: short stacking energy: -234.418
Base-Backbone interact. energy: 3.956
local terms energy: -332.360904
where:
bonds (distance) C4'-P energy: -76.635
bonds (distance) P-C4' energy: -90.438
flat angles C4'-P-C4' energy: -85.710
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1833.782008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.782008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.782008 (E_RNA)
where:
Base-Base interactions energy: -1304.459
where: short stacking energy: -543.145
Base-Backbone interact. energy: -1.326
local terms energy: -527.997001
where:
bonds (distance) C4'-P energy: -82.491
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -108.920
flat angles P-C4'-P energy: -75.386
tors. eta vs tors. theta energy: -167.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1775.594598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.594598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.594598 (E_RNA)
where:
Base-Base interactions energy: -1256.815
where: short stacking energy: -507.895
Base-Backbone interact. energy: 2.427
local terms energy: -521.207035
where:
bonds (distance) C4'-P energy: -92.769
bonds (distance) P-C4' energy: -92.729
flat angles C4'-P-C4' energy: -108.524
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -155.075
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: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1745.253711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.253711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.253711 (E_RNA)
where:
Base-Base interactions energy: -1242.322
where: short stacking energy: -501.112
Base-Backbone interact. energy: -2.425
local terms energy: -500.506946
where:
bonds (distance) C4'-P energy: -86.436
bonds (distance) P-C4' energy: -98.832
flat angles C4'-P-C4' energy: -104.532
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -142.874
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: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1697.467617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.467617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.467617 (E_RNA)
where:
Base-Base interactions energy: -1208.469
where: short stacking energy: -518.403
Base-Backbone interact. energy: 1.023
local terms energy: -490.022466
where:
bonds (distance) C4'-P energy: -91.198
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -107.663
flat angles P-C4'-P energy: -77.184
tors. eta vs tors. theta energy: -146.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1600.221708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.221708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.221708 (E_RNA)
where:
Base-Base interactions energy: -1123.981
where: short stacking energy: -452.298
Base-Backbone interact. energy: -3.572
local terms energy: -472.668508
where:
bonds (distance) C4'-P energy: -76.461
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -97.401
flat angles P-C4'-P energy: -68.919
tors. eta vs tors. theta energy: -141.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1571.003051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.003051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.003051 (E_RNA)
where:
Base-Base interactions energy: -1109.750
where: short stacking energy: -437.238
Base-Backbone interact. energy: -0.054
local terms energy: -461.199150
where:
bonds (distance) C4'-P energy: -92.855
bonds (distance) P-C4' energy: -92.064
flat angles C4'-P-C4' energy: -89.588
flat angles P-C4'-P energy: -67.200
tors. eta vs tors. theta energy: -119.491
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: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1488.204939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.204939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.204939 (E_RNA)
where:
Base-Base interactions energy: -1038.933
where: short stacking energy: -422.974
Base-Backbone interact. energy: -2.226
local terms energy: -447.045928
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -72.149
flat angles C4'-P-C4' energy: -98.659
flat angles P-C4'-P energy: -69.780
tors. eta vs tors. theta energy: -114.844
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1015.465386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.465386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.465386 (E_RNA)
where:
Base-Base interactions energy: -639.313
where: short stacking energy: -290.870
Base-Backbone interact. energy: -0.347
local terms energy: -375.805124
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -88.852
flat angles C4'-P-C4' energy: -89.604
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -65.940
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: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1010.408710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.408710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.408710 (E_RNA)
where:
Base-Base interactions energy: -622.189
where: short stacking energy: -303.080
Base-Backbone interact. energy: 0.565
local terms energy: -388.784510
where:
bonds (distance) C4'-P energy: -79.750
bonds (distance) P-C4' energy: -89.674
flat angles C4'-P-C4' energy: -91.237
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -69.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -678.663210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.663210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.663210 (E_RNA)
where:
Base-Base interactions energy: -363.721
where: short stacking energy: -164.743
Base-Backbone interact. energy: -2.796
local terms energy: -312.146539
where:
bonds (distance) C4'-P energy: -96.643
bonds (distance) P-C4' energy: -75.890
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1831.242801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.242801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.242801 (E_RNA)
where:
Base-Base interactions energy: -1297.984
where: short stacking energy: -534.759
Base-Backbone interact. energy: -1.767
local terms energy: -531.491015
where:
bonds (distance) C4'-P energy: -88.084
bonds (distance) P-C4' energy: -106.070
flat angles C4'-P-C4' energy: -112.893
flat angles P-C4'-P energy: -68.659
tors. eta vs tors. theta energy: -155.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1810.783151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.783151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.783151 (E_RNA)
where:
Base-Base interactions energy: -1249.896
where: short stacking energy: -530.476
Base-Backbone interact. energy: -3.541
local terms energy: -557.346043
where:
bonds (distance) C4'-P energy: -109.639
bonds (distance) P-C4' energy: -102.067
flat angles C4'-P-C4' energy: -108.483
flat angles P-C4'-P energy: -86.031
tors. eta vs tors. theta energy: -151.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1682.315069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.315069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.315069 (E_RNA)
where:
Base-Base interactions energy: -1191.815
where: short stacking energy: -488.994
Base-Backbone interact. energy: -2.089
local terms energy: -488.411827
where:
bonds (distance) C4'-P energy: -81.776
bonds (distance) P-C4' energy: -101.571
flat angles C4'-P-C4' energy: -103.538
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -131.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1694.383278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.383278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.383278 (E_RNA)
where:
Base-Base interactions energy: -1201.694
where: short stacking energy: -485.130
Base-Backbone interact. energy: 0.699
local terms energy: -493.388099
where:
bonds (distance) C4'-P energy: -96.109
bonds (distance) P-C4' energy: -83.791
flat angles C4'-P-C4' energy: -99.008
flat angles P-C4'-P energy: -71.982
tors. eta vs tors. theta energy: -142.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1625.547340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.547340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.547340 (E_RNA)
where:
Base-Base interactions energy: -1161.813
where: short stacking energy: -472.264
Base-Backbone interact. energy: -2.303
local terms energy: -461.431090
where:
bonds (distance) C4'-P energy: -83.182
bonds (distance) P-C4' energy: -75.890
flat angles C4'-P-C4' energy: -103.298
flat angles P-C4'-P energy: -64.960
tors. eta vs tors. theta energy: -134.100
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: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1596.910877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.910877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.910877 (E_RNA)
where:
Base-Base interactions energy: -1124.342
where: short stacking energy: -469.792
Base-Backbone interact. energy: -1.645
local terms energy: -470.924810
where:
bonds (distance) C4'-P energy: -79.844
bonds (distance) P-C4' energy: -93.395
flat angles C4'-P-C4' energy: -99.913
flat angles P-C4'-P energy: -72.926
tors. eta vs tors. theta energy: -124.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1518.955134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.955134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.955134 (E_RNA)
where:
Base-Base interactions energy: -1073.943
where: short stacking energy: -425.013
Base-Backbone interact. energy: -1.068
local terms energy: -443.944061
where:
bonds (distance) C4'-P energy: -85.247
bonds (distance) P-C4' energy: -92.065
flat angles C4'-P-C4' energy: -93.432
flat angles P-C4'-P energy: -56.878
tors. eta vs tors. theta energy: -116.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -994.958296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.958296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.958296 (E_RNA)
where:
Base-Base interactions energy: -614.037
where: short stacking energy: -264.355
Base-Backbone interact. energy: -2.007
local terms energy: -378.914276
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -94.229
flat angles P-C4'-P energy: -49.483
tors. eta vs tors. theta energy: -54.159
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: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -961.563556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.563556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.563556 (E_RNA)
where:
Base-Base interactions energy: -615.804
where: short stacking energy: -280.977
Base-Backbone interact. energy: 0.121
local terms energy: -345.880750
where:
bonds (distance) C4'-P energy: -82.925
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -87.110
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -50.701
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: 410
Temperature: 1.350000
Total energy: -658.930799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.930799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.930799 (E_RNA)
where:
Base-Base interactions energy: -370.478
where: short stacking energy: -189.299
Base-Backbone interact. energy: -2.987
local terms energy: -285.465854
where:
bonds (distance) C4'-P energy: -70.432
bonds (distance) P-C4' energy: -86.040
flat angles C4'-P-C4' energy: -65.491
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1848.773212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.773212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.773212 (E_RNA)
where:
Base-Base interactions energy: -1311.017
where: short stacking energy: -549.530
Base-Backbone interact. energy: -3.246
local terms energy: -534.510685
where:
bonds (distance) C4'-P energy: -89.383
bonds (distance) P-C4' energy: -101.252
flat angles C4'-P-C4' energy: -109.424
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -160.763
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1789.903786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.903786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.903786 (E_RNA)
where:
Base-Base interactions energy: -1247.038
where: short stacking energy: -513.552
Base-Backbone interact. energy: -2.859
local terms energy: -540.006726
where:
bonds (distance) C4'-P energy: -90.334
bonds (distance) P-C4' energy: -101.334
flat angles C4'-P-C4' energy: -112.717
flat angles P-C4'-P energy: -79.106
tors. eta vs tors. theta energy: -156.515
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: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1786.287578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.287578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.287578 (E_RNA)
where:
Base-Base interactions energy: -1253.939
where: short stacking energy: -514.073
Base-Backbone interact. energy: -1.872
local terms energy: -530.477063
where:
bonds (distance) C4'-P energy: -102.930
bonds (distance) P-C4' energy: -94.237
flat angles C4'-P-C4' energy: -109.040
flat angles P-C4'-P energy: -75.952
tors. eta vs tors. theta energy: -148.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1703.509882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.509882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.509882 (E_RNA)
where:
Base-Base interactions energy: -1226.640
where: short stacking energy: -498.368
Base-Backbone interact. energy: -1.215
local terms energy: -475.655363
where:
bonds (distance) C4'-P energy: -89.079
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -97.821
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -143.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1635.429683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.429683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.429683 (E_RNA)
where:
Base-Base interactions energy: -1156.484
where: short stacking energy: -481.012
Base-Backbone interact. energy: -3.771
local terms energy: -475.174513
where:
bonds (distance) C4'-P energy: -83.189
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -107.001
flat angles P-C4'-P energy: -57.391
tors. eta vs tors. theta energy: -137.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1554.689910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.689910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.689910 (E_RNA)
where:
Base-Base interactions energy: -1097.513
where: short stacking energy: -448.693
Base-Backbone interact. energy: 0.612
local terms energy: -457.789060
where:
bonds (distance) C4'-P energy: -94.802
bonds (distance) P-C4' energy: -84.025
flat angles C4'-P-C4' energy: -94.837
flat angles P-C4'-P energy: -68.773
tors. eta vs tors. theta energy: -115.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1521.793806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.793806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.793806 (E_RNA)
where:
Base-Base interactions energy: -1099.700
where: short stacking energy: -448.609
Base-Backbone interact. energy: 0.747
local terms energy: -422.840622
where:
bonds (distance) C4'-P energy: -70.051
bonds (distance) P-C4' energy: -78.615
flat angles C4'-P-C4' energy: -90.818
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -130.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -954.954625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.954625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.954625 (E_RNA)
where:
Base-Base interactions energy: -592.990
where: short stacking energy: -266.213
Base-Backbone interact. energy: -2.791
local terms energy: -359.173995
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -92.055
flat angles C4'-P-C4' energy: -90.327
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -46.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -906.763155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.763155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.763155 (E_RNA)
where:
Base-Base interactions energy: -597.486
where: short stacking energy: -279.297
Base-Backbone interact. energy: 0.634
local terms energy: -309.911314
where:
bonds (distance) C4'-P energy: -72.109
bonds (distance) P-C4' energy: -78.535
flat angles C4'-P-C4' energy: -60.836
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -52.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -686.387847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.387847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.387847 (E_RNA)
where:
Base-Base interactions energy: -363.940
where: short stacking energy: -196.094
Base-Backbone interact. energy: 3.073
local terms energy: -325.521426
where:
bonds (distance) C4'-P energy: -86.395
bonds (distance) P-C4' energy: -83.206
flat angles C4'-P-C4' energy: -75.111
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -27.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1817.244053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.244053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.244053 (E_RNA)
where:
Base-Base interactions energy: -1270.046
where: short stacking energy: -544.256
Base-Backbone interact. energy: -3.477
local terms energy: -543.720770
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -101.080
flat angles C4'-P-C4' energy: -110.906
flat angles P-C4'-P energy: -75.029
tors. eta vs tors. theta energy: -157.508
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: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1804.547110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.547110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.547110 (E_RNA)
where:
Base-Base interactions energy: -1274.016
where: short stacking energy: -543.205
Base-Backbone interact. energy: -1.261
local terms energy: -529.270663
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -98.621
flat angles C4'-P-C4' energy: -117.401
flat angles P-C4'-P energy: -70.815
tors. eta vs tors. theta energy: -155.796
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: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1724.092788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.092788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.092788 (E_RNA)
where:
Base-Base interactions energy: -1201.627
where: short stacking energy: -495.384
Base-Backbone interact. energy: -1.123
local terms energy: -521.342754
where:
bonds (distance) C4'-P energy: -95.615
bonds (distance) P-C4' energy: -101.414
flat angles C4'-P-C4' energy: -111.055
flat angles P-C4'-P energy: -68.914
tors. eta vs tors. theta energy: -144.346
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: 412
Temperature: 1.050000
Total energy: -1721.233934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.233934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.233934 (E_RNA)
where:
Base-Base interactions energy: -1201.648
where: short stacking energy: -514.725
Base-Backbone interact. energy: -1.474
local terms energy: -518.111506
where:
bonds (distance) C4'-P energy: -95.961
bonds (distance) P-C4' energy: -95.622
flat angles C4'-P-C4' energy: -110.587
flat angles P-C4'-P energy: -62.364
tors. eta vs tors. theta energy: -153.577
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: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1609.829714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.829714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.829714 (E_RNA)
where:
Base-Base interactions energy: -1139.250
where: short stacking energy: -465.574
Base-Backbone interact. energy: -1.229
local terms energy: -469.350224
where:
bonds (distance) C4'-P energy: -89.627
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -52.391
tors. eta vs tors. theta energy: -128.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1543.235324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.235324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.235324 (E_RNA)
where:
Base-Base interactions energy: -1085.250
where: short stacking energy: -435.059
Base-Backbone interact. energy: -0.116
local terms energy: -457.869270
where:
bonds (distance) C4'-P energy: -81.885
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -99.857
flat angles P-C4'-P energy: -60.384
tors. eta vs tors. theta energy: -125.043
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1517.885806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.885806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.885806 (E_RNA)
where:
Base-Base interactions energy: -1078.739
where: short stacking energy: -450.674
Base-Backbone interact. energy: -0.709
local terms energy: -438.437597
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -94.951
flat angles P-C4'-P energy: -63.480
tors. eta vs tors. theta energy: -126.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -981.884298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.884298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.884298 (E_RNA)
where:
Base-Base interactions energy: -630.917
where: short stacking energy: -276.633
Base-Backbone interact. energy: -3.799
local terms energy: -347.167976
where:
bonds (distance) C4'-P energy: -69.079
bonds (distance) P-C4' energy: -75.818
flat angles C4'-P-C4' energy: -95.384
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -930.675966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.675966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.675966 (E_RNA)
where:
Base-Base interactions energy: -589.984
where: short stacking energy: -261.742
Base-Backbone interact. energy: 4.907
local terms energy: -345.598948
where:
bonds (distance) C4'-P energy: -86.118
bonds (distance) P-C4' energy: -74.292
flat angles C4'-P-C4' energy: -83.370
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -61.630
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: 412
Temperature: 1.350000
Total energy: -655.888917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.888917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.888917 (E_RNA)
where:
Base-Base interactions energy: -351.042
where: short stacking energy: -179.048
Base-Backbone interact. energy: -2.606
local terms energy: -302.240562
where:
bonds (distance) C4'-P energy: -75.195
bonds (distance) P-C4' energy: -87.573
flat angles C4'-P-C4' energy: -80.863
flat angles P-C4'-P energy: -46.809
tors. eta vs tors. theta energy: -11.801
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: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1838.778360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.778360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.778360 (E_RNA)
where:
Base-Base interactions energy: -1274.092
where: short stacking energy: -531.222
Base-Backbone interact. energy: -2.568
local terms energy: -562.118223
where:
bonds (distance) C4'-P energy: -93.679
bonds (distance) P-C4' energy: -105.448
flat angles C4'-P-C4' energy: -118.367
flat angles P-C4'-P energy: -85.800
tors. eta vs tors. theta energy: -158.824
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: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1829.672021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.672021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.672021 (E_RNA)
where:
Base-Base interactions energy: -1288.616
where: short stacking energy: -536.524
Base-Backbone interact. energy: -1.607
local terms energy: -539.449084
where:
bonds (distance) C4'-P energy: -87.862
bonds (distance) P-C4' energy: -86.877
flat angles C4'-P-C4' energy: -116.625
flat angles P-C4'-P energy: -86.897
tors. eta vs tors. theta energy: -161.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1745.929247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.929247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.929247 (E_RNA)
where:
Base-Base interactions energy: -1229.162
where: short stacking energy: -497.481
Base-Backbone interact. energy: 0.188
local terms energy: -516.954985
where:
bonds (distance) C4'-P energy: -78.142
bonds (distance) P-C4' energy: -102.783
flat angles C4'-P-C4' energy: -115.316
flat angles P-C4'-P energy: -80.424
tors. eta vs tors. theta energy: -140.290
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: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1729.226532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.226532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.226532 (E_RNA)
where:
Base-Base interactions energy: -1222.486
where: short stacking energy: -503.219
Base-Backbone interact. energy: -1.014
local terms energy: -505.726022
where:
bonds (distance) C4'-P energy: -91.501
bonds (distance) P-C4' energy: -92.882
flat angles C4'-P-C4' energy: -110.615
flat angles P-C4'-P energy: -70.178
tors. eta vs tors. theta energy: -140.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1615.826877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.826877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.826877 (E_RNA)
where:
Base-Base interactions energy: -1134.465
where: short stacking energy: -449.684
Base-Backbone interact. energy: -1.998
local terms energy: -479.364389
where:
bonds (distance) C4'-P energy: -89.615
bonds (distance) P-C4' energy: -93.413
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -65.934
tors. eta vs tors. theta energy: -129.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1529.286721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.286721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.286721 (E_RNA)
where:
Base-Base interactions energy: -1074.026
where: short stacking energy: -416.443
Base-Backbone interact. energy: -3.629
local terms energy: -451.631945
where:
bonds (distance) C4'-P energy: -78.129
bonds (distance) P-C4' energy: -88.320
flat angles C4'-P-C4' energy: -99.502
flat angles P-C4'-P energy: -65.662
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1526.392641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.392641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.392641 (E_RNA)
where:
Base-Base interactions energy: -1091.401
where: short stacking energy: -450.472
Base-Backbone interact. energy: -2.336
local terms energy: -432.655887
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -79.394
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -70.816
tors. eta vs tors. theta energy: -113.258
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: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1016.536393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.536393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.536393 (E_RNA)
where:
Base-Base interactions energy: -651.594
where: short stacking energy: -272.717
Base-Backbone interact. energy: -2.297
local terms energy: -362.645780
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -93.417
flat angles C4'-P-C4' energy: -80.845
flat angles P-C4'-P energy: -54.300
tors. eta vs tors. theta energy: -59.679
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: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -921.515712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.515712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.515712 (E_RNA)
where:
Base-Base interactions energy: -605.148
where: short stacking energy: -265.918
Base-Backbone interact. energy: -0.963
local terms energy: -315.405570
where:
bonds (distance) C4'-P energy: -76.821
bonds (distance) P-C4' energy: -78.186
flat angles C4'-P-C4' energy: -79.664
flat angles P-C4'-P energy: -39.415
tors. eta vs tors. theta energy: -41.320
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: 413
Temperature: 1.350000
Total energy: -703.858759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.858759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.858759 (E_RNA)
where:
Base-Base interactions energy: -442.735
where: short stacking energy: -229.078
Base-Backbone interact. energy: 0.303
local terms energy: -261.426759
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -70.276
flat angles C4'-P-C4' energy: -61.494
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -25.199
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: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1851.465285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.465285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.465285 (E_RNA)
where:
Base-Base interactions energy: -1301.347
where: short stacking energy: -538.224
Base-Backbone interact. energy: -2.053
local terms energy: -548.065262
where:
bonds (distance) C4'-P energy: -94.861
bonds (distance) P-C4' energy: -97.894
flat angles C4'-P-C4' energy: -111.225
flat angles P-C4'-P energy: -80.049
tors. eta vs tors. theta energy: -164.037
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: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1792.094233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.094233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.094233 (E_RNA)
where:
Base-Base interactions energy: -1261.608
where: short stacking energy: -532.377
Base-Backbone interact. energy: 0.328
local terms energy: -530.814214
where:
bonds (distance) C4'-P energy: -89.097
bonds (distance) P-C4' energy: -97.092
flat angles C4'-P-C4' energy: -113.113
flat angles P-C4'-P energy: -73.488
tors. eta vs tors. theta energy: -158.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1739.023726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.023726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.023726 (E_RNA)
where:
Base-Base interactions energy: -1242.135
where: short stacking energy: -495.895
Base-Backbone interact. energy: -1.026
local terms energy: -495.862264
where:
bonds (distance) C4'-P energy: -86.057
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -110.135
flat angles P-C4'-P energy: -68.060
tors. eta vs tors. theta energy: -137.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1682.557991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.557991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.557991 (E_RNA)
where:
Base-Base interactions energy: -1190.257
where: short stacking energy: -491.061
Base-Backbone interact. energy: 5.376
local terms energy: -497.677435
where:
bonds (distance) C4'-P energy: -81.861
bonds (distance) P-C4' energy: -94.162
flat angles C4'-P-C4' energy: -108.562
flat angles P-C4'-P energy: -73.573
tors. eta vs tors. theta energy: -139.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1614.587757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.587757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.587757 (E_RNA)
where:
Base-Base interactions energy: -1124.652
where: short stacking energy: -461.059
Base-Backbone interact. energy: -2.261
local terms energy: -487.674887
where:
bonds (distance) C4'-P energy: -84.643
bonds (distance) P-C4' energy: -90.685
flat angles C4'-P-C4' energy: -106.369
flat angles P-C4'-P energy: -73.180
tors. eta vs tors. theta energy: -132.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1520.502616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.502616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.502616 (E_RNA)
where:
Base-Base interactions energy: -1051.911
where: short stacking energy: -424.437
Base-Backbone interact. energy: -0.734
local terms energy: -467.856957
where:
bonds (distance) C4'-P energy: -77.876
bonds (distance) P-C4' energy: -89.148
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -67.058
tors. eta vs tors. theta energy: -131.386
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1502.882033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.882033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.882033 (E_RNA)
where:
Base-Base interactions energy: -1092.923
where: short stacking energy: -451.550
Base-Backbone interact. energy: -0.213
local terms energy: -409.745551
where:
bonds (distance) C4'-P energy: -61.167
bonds (distance) P-C4' energy: -70.638
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -63.432
tors. eta vs tors. theta energy: -120.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1059.763135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.763135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.763135 (E_RNA)
where:
Base-Base interactions energy: -685.783
where: short stacking energy: -300.639
Base-Backbone interact. energy: -1.343
local terms energy: -372.637902
where:
bonds (distance) C4'-P energy: -84.786
bonds (distance) P-C4' energy: -91.896
flat angles C4'-P-C4' energy: -84.079
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -75.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -874.800106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.800106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.800106 (E_RNA)
where:
Base-Base interactions energy: -550.151
where: short stacking energy: -259.454
Base-Backbone interact. energy: 0.321
local terms energy: -324.970096
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -85.348
flat angles C4'-P-C4' energy: -79.710
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -49.030
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: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -688.961395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.961395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.961395 (E_RNA)
where:
Base-Base interactions energy: -378.803
where: short stacking energy: -180.244
Base-Backbone interact. energy: 0.337
local terms energy: -310.495462
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -71.760
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1834.165628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.165628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.165628 (E_RNA)
where:
Base-Base interactions energy: -1274.602
where: short stacking energy: -538.030
Base-Backbone interact. energy: -1.886
local terms energy: -557.677865
where:
bonds (distance) C4'-P energy: -93.617
bonds (distance) P-C4' energy: -110.729
flat angles C4'-P-C4' energy: -120.486
flat angles P-C4'-P energy: -77.795
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: 415
Temperature: 0.950000
Total energy: -1803.169422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.169422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.169422 (E_RNA)
where:
Base-Base interactions energy: -1274.302
where: short stacking energy: -523.467
Base-Backbone interact. energy: -3.050
local terms energy: -525.816717
where:
bonds (distance) C4'-P energy: -91.522
bonds (distance) P-C4' energy: -83.514
flat angles C4'-P-C4' energy: -108.764
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -151.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1753.582578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.582578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.582578 (E_RNA)
where:
Base-Base interactions energy: -1245.144
where: short stacking energy: -511.960
Base-Backbone interact. energy: -2.620
local terms energy: -505.818507
where:
bonds (distance) C4'-P energy: -87.968
bonds (distance) P-C4' energy: -94.096
flat angles C4'-P-C4' energy: -105.260
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -147.799
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: 415
Temperature: 1.050000
Total energy: -1698.735381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.735381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.735381 (E_RNA)
where:
Base-Base interactions energy: -1191.386
where: short stacking energy: -482.691
Base-Backbone interact. energy: -3.470
local terms energy: -503.880150
where:
bonds (distance) C4'-P energy: -84.196
bonds (distance) P-C4' energy: -91.995
flat angles C4'-P-C4' energy: -109.652
flat angles P-C4'-P energy: -71.625
tors. eta vs tors. theta energy: -146.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1597.308370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.308370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.308370 (E_RNA)
where:
Base-Base interactions energy: -1129.076
where: short stacking energy: -467.067
Base-Backbone interact. energy: -2.140
local terms energy: -466.092093
where:
bonds (distance) C4'-P energy: -86.896
bonds (distance) P-C4' energy: -83.665
flat angles C4'-P-C4' energy: -97.597
flat angles P-C4'-P energy: -58.603
tors. eta vs tors. theta energy: -139.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1519.909045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.909045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.909045 (E_RNA)
where:
Base-Base interactions energy: -1069.105
where: short stacking energy: -455.988
Base-Backbone interact. energy: 0.868
local terms energy: -451.672002
where:
bonds (distance) C4'-P energy: -86.005
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -98.346
flat angles P-C4'-P energy: -52.224
tors. eta vs tors. theta energy: -132.247
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1521.878245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.878245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.878245 (E_RNA)
where:
Base-Base interactions energy: -1037.991
where: short stacking energy: -446.974
Base-Backbone interact. energy: -1.101
local terms energy: -482.785749
where:
bonds (distance) C4'-P energy: -85.824
bonds (distance) P-C4' energy: -100.387
flat angles C4'-P-C4' energy: -101.937
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -132.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1026.909085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.909085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.909085 (E_RNA)
where:
Base-Base interactions energy: -656.875
where: short stacking energy: -314.366
Base-Backbone interact. energy: -0.362
local terms energy: -369.671769
where:
bonds (distance) C4'-P energy: -89.307
bonds (distance) P-C4' energy: -75.315
flat angles C4'-P-C4' energy: -87.201
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -62.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -893.309706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.309706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.309706 (E_RNA)
where:
Base-Base interactions energy: -549.396
where: short stacking energy: -244.490
Base-Backbone interact. energy: -0.042
local terms energy: -343.871330
where:
bonds (distance) C4'-P energy: -78.876
bonds (distance) P-C4' energy: -97.696
flat angles C4'-P-C4' energy: -81.848
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -33.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -672.975756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.975756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.975756 (E_RNA)
where:
Base-Base interactions energy: -399.713
where: short stacking energy: -190.518
Base-Backbone interact. energy: -2.178
local terms energy: -271.085211
where:
bonds (distance) C4'-P energy: -76.868
bonds (distance) P-C4' energy: -61.499
flat angles C4'-P-C4' energy: -83.664
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1832.708527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.708527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.708527 (E_RNA)
where:
Base-Base interactions energy: -1287.778
where: short stacking energy: -545.895
Base-Backbone interact. energy: -0.160
local terms energy: -544.770251
where:
bonds (distance) C4'-P energy: -98.263
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -75.826
tors. eta vs tors. theta energy: -160.818
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: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1803.998041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.998041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.998041 (E_RNA)
where:
Base-Base interactions energy: -1278.070
where: short stacking energy: -541.688
Base-Backbone interact. energy: 1.615
local terms energy: -527.543481
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -92.105
flat angles C4'-P-C4' energy: -110.095
flat angles P-C4'-P energy: -78.359
tors. eta vs tors. theta energy: -150.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1749.540168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.540168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.540168 (E_RNA)
where:
Base-Base interactions energy: -1238.261
where: short stacking energy: -523.070
Base-Backbone interact. energy: -2.140
local terms energy: -509.138542
where:
bonds (distance) C4'-P energy: -88.597
bonds (distance) P-C4' energy: -91.069
flat angles C4'-P-C4' energy: -108.510
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -145.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1702.196185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.196185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.196185 (E_RNA)
where:
Base-Base interactions energy: -1214.416
where: short stacking energy: -499.951
Base-Backbone interact. energy: 0.362
local terms energy: -488.141843
where:
bonds (distance) C4'-P energy: -88.447
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -100.563
flat angles P-C4'-P energy: -64.290
tors. eta vs tors. theta energy: -144.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1599.176394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.176394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.176394 (E_RNA)
where:
Base-Base interactions energy: -1099.241
where: short stacking energy: -457.126
Base-Backbone interact. energy: 0.149
local terms energy: -500.084254
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -97.272
flat angles C4'-P-C4' energy: -99.859
flat angles P-C4'-P energy: -64.801
tors. eta vs tors. theta energy: -133.835
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: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1522.060302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.060302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.060302 (E_RNA)
where:
Base-Base interactions energy: -1058.288
where: short stacking energy: -441.987
Base-Backbone interact. energy: -1.695
local terms energy: -462.077449
where:
bonds (distance) C4'-P energy: -82.452
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -89.189
flat angles P-C4'-P energy: -73.265
tors. eta vs tors. theta energy: -120.461
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: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1523.749114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.749114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.749114 (E_RNA)
where:
Base-Base interactions energy: -1082.634
where: short stacking energy: -441.239
Base-Backbone interact. energy: -2.782
local terms energy: -438.332967
where:
bonds (distance) C4'-P energy: -74.845
bonds (distance) P-C4' energy: -78.924
flat angles C4'-P-C4' energy: -94.570
flat angles P-C4'-P energy: -64.209
tors. eta vs tors. theta energy: -125.785
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: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1007.997681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.997681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.997681 (E_RNA)
where:
Base-Base interactions energy: -669.295
where: short stacking energy: -297.616
Base-Backbone interact. energy: 2.134
local terms energy: -340.836662
where:
bonds (distance) C4'-P energy: -79.710
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -72.795
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -867.432712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.432712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.432712 (E_RNA)
where:
Base-Base interactions energy: -561.948
where: short stacking energy: -260.526
Base-Backbone interact. energy: 0.907
local terms energy: -306.391254
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -82.812
flat angles C4'-P-C4' energy: -69.782
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -40.076
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: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -666.033688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.033688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.033688 (E_RNA)
where:
Base-Base interactions energy: -388.920
where: short stacking energy: -185.475
Base-Backbone interact. energy: -2.967
local terms energy: -274.146445
where:
bonds (distance) C4'-P energy: -80.139
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -68.751
flat angles P-C4'-P energy: -45.602
tors. eta vs tors. theta energy: -12.642
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: 417
Temperature: 0.900000
Total energy: -1822.627822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.627822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.627822 (E_RNA)
where:
Base-Base interactions energy: -1283.056
where: short stacking energy: -526.440
Base-Backbone interact. energy: -0.406
local terms energy: -539.166183
where:
bonds (distance) C4'-P energy: -95.265
bonds (distance) P-C4' energy: -102.269
flat angles C4'-P-C4' energy: -114.956
flat angles P-C4'-P energy: -69.607
tors. eta vs tors. theta energy: -157.069
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1817.400670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.400670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.400670 (E_RNA)
where:
Base-Base interactions energy: -1303.475
where: short stacking energy: -526.288
Base-Backbone interact. energy: -0.369
local terms energy: -513.557174
where:
bonds (distance) C4'-P energy: -94.365
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -98.664
flat angles P-C4'-P energy: -76.084
tors. eta vs tors. theta energy: -154.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1728.017441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.017441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.017441 (E_RNA)
where:
Base-Base interactions energy: -1216.130
where: short stacking energy: -504.549
Base-Backbone interact. energy: -1.774
local terms energy: -510.113648
where:
bonds (distance) C4'-P energy: -83.114
bonds (distance) P-C4' energy: -91.005
flat angles C4'-P-C4' energy: -120.565
flat angles P-C4'-P energy: -76.170
tors. eta vs tors. theta energy: -139.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1719.485507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.485507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.485507 (E_RNA)
where:
Base-Base interactions energy: -1224.084
where: short stacking energy: -496.556
Base-Backbone interact. energy: -3.643
local terms energy: -491.759450
where:
bonds (distance) C4'-P energy: -83.503
bonds (distance) P-C4' energy: -83.256
flat angles C4'-P-C4' energy: -106.763
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -151.182
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: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1635.751319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.751319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.751319 (E_RNA)
where:
Base-Base interactions energy: -1141.040
where: short stacking energy: -465.306
Base-Backbone interact. energy: -0.018
local terms energy: -494.693608
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -91.836
flat angles P-C4'-P energy: -73.307
tors. eta vs tors. theta energy: -137.222
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1632.390563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.390563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.390563 (E_RNA)
where:
Base-Base interactions energy: -1162.810
where: short stacking energy: -473.862
Base-Backbone interact. energy: 2.890
local terms energy: -472.470812
where:
bonds (distance) C4'-P energy: -77.106
bonds (distance) P-C4' energy: -79.809
flat angles C4'-P-C4' energy: -105.927
flat angles P-C4'-P energy: -72.147
tors. eta vs tors. theta energy: -137.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1440.459037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.459037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.459037 (E_RNA)
where:
Base-Base interactions energy: -1010.587
where: short stacking energy: -413.778
Base-Backbone interact. energy: 2.273
local terms energy: -432.144857
where:
bonds (distance) C4'-P energy: -75.776
bonds (distance) P-C4' energy: -91.686
flat angles C4'-P-C4' energy: -83.409
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -112.872
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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1111.640827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.640827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.640827 (E_RNA)
where:
Base-Base interactions energy: -749.423
where: short stacking energy: -323.670
Base-Backbone interact. energy: -0.503
local terms energy: -361.714809
where:
bonds (distance) C4'-P energy: -82.527
bonds (distance) P-C4' energy: -83.285
flat angles C4'-P-C4' energy: -87.027
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -65.788
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: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -854.949913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.949913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.949913 (E_RNA)
where:
Base-Base interactions energy: -529.448
where: short stacking energy: -239.693
Base-Backbone interact. energy: -1.468
local terms energy: -324.033966
where:
bonds (distance) C4'-P energy: -72.671
bonds (distance) P-C4' energy: -85.504
flat angles C4'-P-C4' energy: -70.117
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -41.285
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: 417
Temperature: 1.350000
Total energy: -654.471864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.471864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.471864 (E_RNA)
where:
Base-Base interactions energy: -398.040
where: short stacking energy: -214.591
Base-Backbone interact. energy: 1.060
local terms energy: -257.491740
where:
bonds (distance) C4'-P energy: -69.364
bonds (distance) P-C4' energy: -72.422
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -20.519
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: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1826.853973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.853973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.853973 (E_RNA)
where:
Base-Base interactions energy: -1280.298
where: short stacking energy: -541.549
Base-Backbone interact. energy: 2.020
local terms energy: -548.575512
where:
bonds (distance) C4'-P energy: -90.791
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -116.522
flat angles P-C4'-P energy: -89.477
tors. eta vs tors. theta energy: -160.315
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: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1799.723325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.723325 (E_RNA)
where:
Base-Base interactions energy: -1277.677
where: short stacking energy: -530.410
Base-Backbone interact. energy: -3.031
local terms energy: -519.015670
where:
bonds (distance) C4'-P energy: -83.850
bonds (distance) P-C4' energy: -90.732
flat angles C4'-P-C4' energy: -110.603
flat angles P-C4'-P energy: -83.841
tors. eta vs tors. theta energy: -149.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1746.943700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.943700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.943700 (E_RNA)
where:
Base-Base interactions energy: -1211.507
where: short stacking energy: -498.119
Base-Backbone interact. energy: -1.325
local terms energy: -534.111906
where:
bonds (distance) C4'-P energy: -98.458
bonds (distance) P-C4' energy: -93.670
flat angles C4'-P-C4' energy: -115.206
flat angles P-C4'-P energy: -83.926
tors. eta vs tors. theta energy: -142.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1675.266689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.266689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.266689 (E_RNA)
where:
Base-Base interactions energy: -1186.028
where: short stacking energy: -488.323
Base-Backbone interact. energy: -0.674
local terms energy: -488.565297
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -78.001
flat angles C4'-P-C4' energy: -109.299
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -141.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1617.053470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.053470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.053470 (E_RNA)
where:
Base-Base interactions energy: -1151.651
where: short stacking energy: -465.461
Base-Backbone interact. energy: 1.773
local terms energy: -467.175014
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -86.574
flat angles P-C4'-P energy: -82.547
tors. eta vs tors. theta energy: -133.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1610.752520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.752520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.752520 (E_RNA)
where:
Base-Base interactions energy: -1150.730
where: short stacking energy: -461.932
Base-Backbone interact. energy: -4.987
local terms energy: -455.035001
where:
bonds (distance) C4'-P energy: -71.089
bonds (distance) P-C4' energy: -79.085
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -133.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1477.303516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.303516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.303516 (E_RNA)
where:
Base-Base interactions energy: -1026.890
where: short stacking energy: -420.245
Base-Backbone interact. energy: 1.028
local terms energy: -451.442182
where:
bonds (distance) C4'-P energy: -94.293
bonds (distance) P-C4' energy: -84.613
flat angles C4'-P-C4' energy: -95.016
flat angles P-C4'-P energy: -73.565
tors. eta vs tors. theta energy: -103.956
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: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1072.186638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.186638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.186638 (E_RNA)
where:
Base-Base interactions energy: -711.404
where: short stacking energy: -332.545
Base-Backbone interact. energy: -1.711
local terms energy: -359.071292
where:
bonds (distance) C4'-P energy: -59.800
bonds (distance) P-C4' energy: -77.905
flat angles C4'-P-C4' energy: -89.348
flat angles P-C4'-P energy: -65.486
tors. eta vs tors. theta energy: -66.532
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: 418
Temperature: 1.300000
Total energy: -962.645877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.645877 (E_RNA)
where:
Base-Base interactions energy: -614.975
where: short stacking energy: -270.807
Base-Backbone interact. energy: -1.185
local terms energy: -346.486352
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -80.321
flat angles C4'-P-C4' energy: -82.225
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -43.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -733.221936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.221936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.221936 (E_RNA)
where:
Base-Base interactions energy: -416.665
where: short stacking energy: -205.777
Base-Backbone interact. energy: 0.220
local terms energy: -316.776278
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -75.514
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -31.554
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1853.841960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.841960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.841960 (E_RNA)
where:
Base-Base interactions energy: -1306.313
where: short stacking energy: -546.070
Base-Backbone interact. energy: -0.455
local terms energy: -547.073737
where:
bonds (distance) C4'-P energy: -100.539
bonds (distance) P-C4' energy: -101.028
flat angles C4'-P-C4' energy: -112.876
flat angles P-C4'-P energy: -80.577
tors. eta vs tors. theta energy: -152.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1799.375464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.375464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.375464 (E_RNA)
where:
Base-Base interactions energy: -1270.508
where: short stacking energy: -537.900
Base-Backbone interact. energy: -3.718
local terms energy: -525.149177
where:
bonds (distance) C4'-P energy: -88.731
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -108.705
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: -153.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1746.638318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.638318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.638318 (E_RNA)
where:
Base-Base interactions energy: -1215.819
where: short stacking energy: -532.633
Base-Backbone interact. energy: -1.799
local terms energy: -529.020096
where:
bonds (distance) C4'-P energy: -87.325
bonds (distance) P-C4' energy: -95.764
flat angles C4'-P-C4' energy: -120.674
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -150.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1689.277047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.277047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.277047 (E_RNA)
where:
Base-Base interactions energy: -1211.451
where: short stacking energy: -509.064
Base-Backbone interact. energy: -3.168
local terms energy: -474.657385
where:
bonds (distance) C4'-P energy: -74.000
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -109.024
flat angles P-C4'-P energy: -64.936
tors. eta vs tors. theta energy: -137.278
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: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1589.932944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.932944 (E_RNA)
where:
Base-Base interactions energy: -1123.736
where: short stacking energy: -485.386
Base-Backbone interact. energy: 2.352
local terms energy: -468.548746
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -77.786
flat angles C4'-P-C4' energy: -92.085
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -138.122
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1576.856972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.856972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.856972 (E_RNA)
where:
Base-Base interactions energy: -1091.295
where: short stacking energy: -461.998
Base-Backbone interact. energy: 1.785
local terms energy: -487.346766
where:
bonds (distance) C4'-P energy: -87.863
bonds (distance) P-C4' energy: -93.426
flat angles C4'-P-C4' energy: -100.037
flat angles P-C4'-P energy: -82.564
tors. eta vs tors. theta energy: -123.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1424.421679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.421679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.421679 (E_RNA)
where:
Base-Base interactions energy: -1022.788
where: short stacking energy: -407.607
Base-Backbone interact. energy: -2.670
local terms energy: -398.963888
where:
bonds (distance) C4'-P energy: -81.201
bonds (distance) P-C4' energy: -70.471
flat angles C4'-P-C4' energy: -79.185
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -106.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -986.787314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.787314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.787314 (E_RNA)
where:
Base-Base interactions energy: -608.531
where: short stacking energy: -282.889
Base-Backbone interact. energy: -1.245
local terms energy: -377.011064
where:
bonds (distance) C4'-P energy: -92.132
bonds (distance) P-C4' energy: -87.203
flat angles C4'-P-C4' energy: -80.934
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -59.133
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: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1034.498122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.498122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.498122 (E_RNA)
where:
Base-Base interactions energy: -674.526
where: short stacking energy: -329.726
Base-Backbone interact. energy: -1.944
local terms energy: -358.028363
where:
bonds (distance) C4'-P energy: -70.262
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -85.590
flat angles P-C4'-P energy: -59.231
tors. eta vs tors. theta energy: -71.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -720.202715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.202715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.202715 (E_RNA)
where:
Base-Base interactions energy: -446.227
where: short stacking energy: -233.305
Base-Backbone interact. energy: 1.707
local terms energy: -275.682053
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -84.299
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: -26.325
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1835.326956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.326956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.326956 (E_RNA)
where:
Base-Base interactions energy: -1282.919
where: short stacking energy: -548.908
Base-Backbone interact. energy: -0.553
local terms energy: -551.855199
where:
bonds (distance) C4'-P energy: -94.285
bonds (distance) P-C4' energy: -91.532
flat angles C4'-P-C4' energy: -115.411
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -166.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1798.088999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.088999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.088999 (E_RNA)
where:
Base-Base interactions energy: -1258.699
where: short stacking energy: -515.394
Base-Backbone interact. energy: -2.677
local terms energy: -536.712598
where:
bonds (distance) C4'-P energy: -104.976
bonds (distance) P-C4' energy: -100.181
flat angles C4'-P-C4' energy: -118.813
flat angles P-C4'-P energy: -68.809
tors. eta vs tors. theta energy: -143.933
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1737.019735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.019735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.019735 (E_RNA)
where:
Base-Base interactions energy: -1231.542
where: short stacking energy: -506.818
Base-Backbone interact. energy: -1.869
local terms energy: -503.608770
where:
bonds (distance) C4'-P energy: -94.077
bonds (distance) P-C4' energy: -98.468
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -71.795
tors. eta vs tors. theta energy: -138.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1699.106389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.106389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.106389 (E_RNA)
where:
Base-Base interactions energy: -1198.648
where: short stacking energy: -491.713
Base-Backbone interact. energy: 0.268
local terms energy: -500.726539
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -79.088
flat angles C4'-P-C4' energy: -116.230
flat angles P-C4'-P energy: -70.165
tors. eta vs tors. theta energy: -146.314
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: 420
Temperature: 1.100000
Total energy: -1609.522649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.522649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.522649 (E_RNA)
where:
Base-Base interactions energy: -1122.874
where: short stacking energy: -485.217
Base-Backbone interact. energy: -2.713
local terms energy: -483.935770
where:
bonds (distance) C4'-P energy: -90.530
bonds (distance) P-C4' energy: -100.310
flat angles C4'-P-C4' energy: -95.392
flat angles P-C4'-P energy: -59.515
tors. eta vs tors. theta energy: -138.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1562.896380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.896380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.896380 (E_RNA)
where:
Base-Base interactions energy: -1109.036
where: short stacking energy: -471.171
Base-Backbone interact. energy: 2.759
local terms energy: -456.618859
where:
bonds (distance) C4'-P energy: -80.274
bonds (distance) P-C4' energy: -87.735
flat angles C4'-P-C4' energy: -98.331
flat angles P-C4'-P energy: -57.790
tors. eta vs tors. theta energy: -132.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1413.108152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.108152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.108152 (E_RNA)
where:
Base-Base interactions energy: -978.541
where: short stacking energy: -400.199
Base-Backbone interact. energy: -1.855
local terms energy: -432.712463
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -96.407
flat angles C4'-P-C4' energy: -92.523
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -103.734
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: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1053.793560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.793560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.793560 (E_RNA)
where:
Base-Base interactions energy: -710.909
where: short stacking energy: -302.091
Base-Backbone interact. energy: -1.907
local terms energy: -340.977322
where:
bonds (distance) C4'-P energy: -71.874
bonds (distance) P-C4' energy: -85.142
flat angles C4'-P-C4' energy: -84.112
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -61.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1031.076562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.076562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.076562 (E_RNA)
where:
Base-Base interactions energy: -684.726
where: short stacking energy: -284.760
Base-Backbone interact. energy: -0.660
local terms energy: -345.690996
where:
bonds (distance) C4'-P energy: -87.662
bonds (distance) P-C4' energy: -82.069
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -62.079
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: 420
Temperature: 1.350000
Total energy: -690.433621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.433621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.433621 (E_RNA)
where:
Base-Base interactions energy: -398.796
where: short stacking energy: -200.389
Base-Backbone interact. energy: -2.197
local terms energy: -289.441215
where:
bonds (distance) C4'-P energy: -88.122
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -53.585
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1864.395314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.395314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.395314 (E_RNA)
where:
Base-Base interactions energy: -1303.925
where: short stacking energy: -534.788
Base-Backbone interact. energy: -2.767
local terms energy: -557.703255
where:
bonds (distance) C4'-P energy: -100.219
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -115.901
flat angles P-C4'-P energy: -93.848
tors. eta vs tors. theta energy: -159.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1809.364366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.364366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.364366 (E_RNA)
where:
Base-Base interactions energy: -1314.053
where: short stacking energy: -530.704
Base-Backbone interact. energy: -2.277
local terms energy: -493.033939
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -106.462
flat angles P-C4'-P energy: -69.499
tors. eta vs tors. theta energy: -150.234
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1726.797671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.797671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.797671 (E_RNA)
where:
Base-Base interactions energy: -1222.088
where: short stacking energy: -511.976
Base-Backbone interact. energy: 0.816
local terms energy: -505.525617
where:
bonds (distance) C4'-P energy: -84.663
bonds (distance) P-C4' energy: -100.753
flat angles C4'-P-C4' energy: -105.761
flat angles P-C4'-P energy: -70.158
tors. eta vs tors. theta energy: -144.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1703.449355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.449355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.449355 (E_RNA)
where:
Base-Base interactions energy: -1194.915
where: short stacking energy: -505.068
Base-Backbone interact. energy: -3.130
local terms energy: -505.404656
where:
bonds (distance) C4'-P energy: -89.498
bonds (distance) P-C4' energy: -99.637
flat angles C4'-P-C4' energy: -94.694
flat angles P-C4'-P energy: -80.913
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: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1617.162837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.162837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.162837 (E_RNA)
where:
Base-Base interactions energy: -1139.515
where: short stacking energy: -478.646
Base-Backbone interact. energy: 1.076
local terms energy: -478.724206
where:
bonds (distance) C4'-P energy: -80.351
bonds (distance) P-C4' energy: -88.046
flat angles C4'-P-C4' energy: -105.948
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -136.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1544.328474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.328474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.328474 (E_RNA)
where:
Base-Base interactions energy: -1063.450
where: short stacking energy: -448.263
Base-Backbone interact. energy: 1.824
local terms energy: -482.703034
where:
bonds (distance) C4'-P energy: -84.393
bonds (distance) P-C4' energy: -92.287
flat angles C4'-P-C4' energy: -97.362
flat angles P-C4'-P energy: -67.496
tors. eta vs tors. theta energy: -141.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1430.905573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.905573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.905573 (E_RNA)
where:
Base-Base interactions energy: -1002.653
where: short stacking energy: -422.251
Base-Backbone interact. energy: 0.436
local terms energy: -428.689116
where:
bonds (distance) C4'-P energy: -67.576
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -97.968
flat angles P-C4'-P energy: -68.652
tors. eta vs tors. theta energy: -104.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1086.962597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.962597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.962597 (E_RNA)
where:
Base-Base interactions energy: -719.303
where: short stacking energy: -324.116
Base-Backbone interact. energy: -1.227
local terms energy: -366.432441
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -72.123
flat angles C4'-P-C4' energy: -84.996
flat angles P-C4'-P energy: -50.268
tors. eta vs tors. theta energy: -80.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1055.024498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.024498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.024498 (E_RNA)
where:
Base-Base interactions energy: -721.055
where: short stacking energy: -287.021
Base-Backbone interact. energy: -2.855
local terms energy: -331.114222
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -65.846
flat angles C4'-P-C4' energy: -93.112
flat angles P-C4'-P energy: -47.972
tors. eta vs tors. theta energy: -61.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -735.339530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.339530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.339530 (E_RNA)
where:
Base-Base interactions energy: -435.167
where: short stacking energy: -215.071
Base-Backbone interact. energy: -1.798
local terms energy: -298.373834
where:
bonds (distance) C4'-P energy: -83.427
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -45.509
tors. eta vs tors. theta energy: -19.205
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: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1860.762562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.762562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.762562 (E_RNA)
where:
Base-Base interactions energy: -1312.085
where: short stacking energy: -551.480
Base-Backbone interact. energy: -2.440
local terms energy: -546.236802
where:
bonds (distance) C4'-P energy: -101.425
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -114.246
flat angles P-C4'-P energy: -79.555
tors. eta vs tors. theta energy: -152.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1802.645558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.645558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.645558 (E_RNA)
where:
Base-Base interactions energy: -1271.986
where: short stacking energy: -538.472
Base-Backbone interact. energy: -0.704
local terms energy: -529.955572
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -102.141
flat angles C4'-P-C4' energy: -116.443
flat angles P-C4'-P energy: -64.884
tors. eta vs tors. theta energy: -160.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1724.732708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.732708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.732708 (E_RNA)
where:
Base-Base interactions energy: -1199.813
where: short stacking energy: -491.036
Base-Backbone interact. energy: -4.785
local terms energy: -520.134778
where:
bonds (distance) C4'-P energy: -98.313
bonds (distance) P-C4' energy: -99.565
flat angles C4'-P-C4' energy: -105.359
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -145.851
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: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1696.898860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.898860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.898860 (E_RNA)
where:
Base-Base interactions energy: -1186.234
where: short stacking energy: -486.139
Base-Backbone interact. energy: -1.322
local terms energy: -509.342164
where:
bonds (distance) C4'-P energy: -100.878
bonds (distance) P-C4' energy: -95.261
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -132.641
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: 422
Temperature: 1.100000
Total energy: -1622.574426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.574426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.574426 (E_RNA)
where:
Base-Base interactions energy: -1134.881
where: short stacking energy: -456.485
Base-Backbone interact. energy: 1.355
local terms energy: -489.048088
where:
bonds (distance) C4'-P energy: -93.206
bonds (distance) P-C4' energy: -76.990
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -78.265
tors. eta vs tors. theta energy: -133.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1538.919596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.919596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.919596 (E_RNA)
where:
Base-Base interactions energy: -1078.567
where: short stacking energy: -423.405
Base-Backbone interact. energy: 2.158
local terms energy: -462.510661
where:
bonds (distance) C4'-P energy: -92.582
bonds (distance) P-C4' energy: -88.835
flat angles C4'-P-C4' energy: -96.814
flat angles P-C4'-P energy: -64.449
tors. eta vs tors. theta energy: -119.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1439.263449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.263449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.263449 (E_RNA)
where:
Base-Base interactions energy: -993.101
where: short stacking energy: -408.806
Base-Backbone interact. energy: -2.886
local terms energy: -443.277134
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -76.758
flat angles C4'-P-C4' energy: -102.611
flat angles P-C4'-P energy: -73.777
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: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1116.591868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.591868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.591868 (E_RNA)
where:
Base-Base interactions energy: -727.989
where: short stacking energy: -326.001
Base-Backbone interact. energy: -1.179
local terms energy: -387.423196
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -53.549
tors. eta vs tors. theta energy: -72.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -940.666822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.666822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.666822 (E_RNA)
where:
Base-Base interactions energy: -609.775
where: short stacking energy: -270.813
Base-Backbone interact. energy: 3.522
local terms energy: -334.413335
where:
bonds (distance) C4'-P energy: -63.883
bonds (distance) P-C4' energy: -80.358
flat angles C4'-P-C4' energy: -85.765
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -41.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -681.008257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.008257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.008257 (E_RNA)
where:
Base-Base interactions energy: -387.959
where: short stacking energy: -193.615
Base-Backbone interact. energy: -0.448
local terms energy: -292.601197
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -90.663
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1872.377170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.377170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.377170 (E_RNA)
where:
Base-Base interactions energy: -1322.398
where: short stacking energy: -536.137
Base-Backbone interact. energy: -2.689
local terms energy: -547.290774
where:
bonds (distance) C4'-P energy: -106.781
bonds (distance) P-C4' energy: -105.531
flat angles C4'-P-C4' energy: -111.397
flat angles P-C4'-P energy: -74.704
tors. eta vs tors. theta energy: -148.877
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: 423
Temperature: 0.950000
Total energy: -1766.726629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.726629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.726629 (E_RNA)
where:
Base-Base interactions energy: -1236.500
where: short stacking energy: -530.884
Base-Backbone interact. energy: -2.325
local terms energy: -527.902150
where:
bonds (distance) C4'-P energy: -97.000
bonds (distance) P-C4' energy: -94.389
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -74.922
tors. eta vs tors. theta energy: -149.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1747.560307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.560307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.560307 (E_RNA)
where:
Base-Base interactions energy: -1242.443
where: short stacking energy: -508.641
Base-Backbone interact. energy: -1.719
local terms energy: -503.398204
where:
bonds (distance) C4'-P energy: -80.473
bonds (distance) P-C4' energy: -90.550
flat angles C4'-P-C4' energy: -111.381
flat angles P-C4'-P energy: -71.086
tors. eta vs tors. theta energy: -149.909
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: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1708.113537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.113537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.113537 (E_RNA)
where:
Base-Base interactions energy: -1179.411
where: short stacking energy: -512.764
Base-Backbone interact. energy: -1.041
local terms energy: -527.661489
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -89.586
flat angles C4'-P-C4' energy: -116.671
flat angles P-C4'-P energy: -82.528
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1623.918465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.918465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.918465 (E_RNA)
where:
Base-Base interactions energy: -1150.546
where: short stacking energy: -471.867
Base-Backbone interact. energy: 0.147
local terms energy: -473.519208
where:
bonds (distance) C4'-P energy: -82.522
bonds (distance) P-C4' energy: -79.424
flat angles C4'-P-C4' energy: -111.652
flat angles P-C4'-P energy: -61.971
tors. eta vs tors. theta energy: -137.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1594.903974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.903974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.903974 (E_RNA)
where:
Base-Base interactions energy: -1146.471
where: short stacking energy: -478.682
Base-Backbone interact. energy: -0.378
local terms energy: -448.055092
where:
bonds (distance) C4'-P energy: -63.889
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -58.561
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1455.419902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.419902 (E_RNA)
where:
Base-Base interactions energy: -1050.952
where: short stacking energy: -421.214
Base-Backbone interact. energy: 0.769
local terms energy: -405.237181
where:
bonds (distance) C4'-P energy: -88.102
bonds (distance) P-C4' energy: -83.167
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -103.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1088.212468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.212468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.212468 (E_RNA)
where:
Base-Base interactions energy: -732.208
where: short stacking energy: -322.908
Base-Backbone interact. energy: -1.284
local terms energy: -354.720836
where:
bonds (distance) C4'-P energy: -81.990
bonds (distance) P-C4' energy: -72.570
flat angles C4'-P-C4' energy: -81.272
flat angles P-C4'-P energy: -43.989
tors. eta vs tors. theta energy: -74.900
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: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -993.169458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.169458 (E_RNA)
where:
Base-Base interactions energy: -619.364
where: short stacking energy: -280.067
Base-Backbone interact. energy: -1.045
local terms energy: -372.760250
where:
bonds (distance) C4'-P energy: -82.230
bonds (distance) P-C4' energy: -95.276
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -49.177
tors. eta vs tors. theta energy: -63.087
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: 423
Temperature: 1.350000
Total energy: -677.460034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.460034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.460034 (E_RNA)
where:
Base-Base interactions energy: -398.452
where: short stacking energy: -187.827
Base-Backbone interact. energy: -0.658
local terms energy: -278.350282
where:
bonds (distance) C4'-P energy: -73.253
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -3.501
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: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1855.501580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.501580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.501580 (E_RNA)
where:
Base-Base interactions energy: -1293.086
where: short stacking energy: -548.794
Base-Backbone interact. energy: -2.243
local terms energy: -560.172698
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -98.180
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -83.910
tors. eta vs tors. theta energy: -159.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1788.615996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.615996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.615996 (E_RNA)
where:
Base-Base interactions energy: -1248.118
where: short stacking energy: -538.771
Base-Backbone interact. energy: -1.365
local terms energy: -539.132623
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -103.344
flat angles C4'-P-C4' energy: -112.662
flat angles P-C4'-P energy: -81.044
tors. eta vs tors. theta energy: -152.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1723.854595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.854595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.854595 (E_RNA)
where:
Base-Base interactions energy: -1216.536
where: short stacking energy: -504.424
Base-Backbone interact. energy: 2.065
local terms energy: -509.384337
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -88.321
flat angles C4'-P-C4' energy: -112.836
flat angles P-C4'-P energy: -80.679
tors. eta vs tors. theta energy: -138.421
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: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1698.106508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.106508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.106508 (E_RNA)
where:
Base-Base interactions energy: -1192.181
where: short stacking energy: -488.543
Base-Backbone interact. energy: 1.424
local terms energy: -507.349564
where:
bonds (distance) C4'-P energy: -100.312
bonds (distance) P-C4' energy: -89.767
flat angles C4'-P-C4' energy: -97.218
flat angles P-C4'-P energy: -74.182
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1667.449385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.449385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.449385 (E_RNA)
where:
Base-Base interactions energy: -1160.432
where: short stacking energy: -490.324
Base-Backbone interact. energy: -2.914
local terms energy: -504.104096
where:
bonds (distance) C4'-P energy: -83.332
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -144.876
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1571.901010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.901010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.901010 (E_RNA)
where:
Base-Base interactions energy: -1105.811
where: short stacking energy: -457.055
Base-Backbone interact. energy: 0.028
local terms energy: -466.118118
where:
bonds (distance) C4'-P energy: -79.649
bonds (distance) P-C4' energy: -93.198
flat angles C4'-P-C4' energy: -95.839
flat angles P-C4'-P energy: -55.547
tors. eta vs tors. theta energy: -141.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1445.148363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.148363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.148363 (E_RNA)
where:
Base-Base interactions energy: -1002.692
where: short stacking energy: -412.831
Base-Backbone interact. energy: -0.799
local terms energy: -441.657822
where:
bonds (distance) C4'-P energy: -88.080
bonds (distance) P-C4' energy: -89.340
flat angles C4'-P-C4' energy: -100.436
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: -114.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1133.589021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.589021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.589021 (E_RNA)
where:
Base-Base interactions energy: -774.168
where: short stacking energy: -351.278
Base-Backbone interact. energy: 4.267
local terms energy: -363.688130
where:
bonds (distance) C4'-P energy: -75.010
bonds (distance) P-C4' energy: -74.401
flat angles C4'-P-C4' energy: -81.706
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -85.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1000.154260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.154260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.154260 (E_RNA)
where:
Base-Base interactions energy: -650.969
where: short stacking energy: -289.748
Base-Backbone interact. energy: -0.952
local terms energy: -348.233002
where:
bonds (distance) C4'-P energy: -88.394
bonds (distance) P-C4' energy: -84.784
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -69.782
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: 424
Temperature: 1.350000
Total energy: -723.171547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.171547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.171547 (E_RNA)
where:
Base-Base interactions energy: -426.774
where: short stacking energy: -201.597
Base-Backbone interact. energy: -0.165
local terms energy: -296.232677
where:
bonds (distance) C4'-P energy: -69.952
bonds (distance) P-C4' energy: -79.193
flat angles C4'-P-C4' energy: -75.857
flat angles P-C4'-P energy: -52.505
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1829.289873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.289873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.289873 (E_RNA)
where:
Base-Base interactions energy: -1277.801
where: short stacking energy: -519.870
Base-Backbone interact. energy: 0.089
local terms energy: -551.577540
where:
bonds (distance) C4'-P energy: -91.968
bonds (distance) P-C4' energy: -110.276
flat angles C4'-P-C4' energy: -113.869
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -152.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1786.257538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.257538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.257538 (E_RNA)
where:
Base-Base interactions energy: -1255.055
where: short stacking energy: -514.142
Base-Backbone interact. energy: -1.923
local terms energy: -529.278653
where:
bonds (distance) C4'-P energy: -84.568
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -115.129
flat angles P-C4'-P energy: -76.862
tors. eta vs tors. theta energy: -155.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1744.836656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.836656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.836656 (E_RNA)
where:
Base-Base interactions energy: -1216.966
where: short stacking energy: -509.389
Base-Backbone interact. energy: -3.684
local terms energy: -524.186495
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -94.840
flat angles C4'-P-C4' energy: -107.054
flat angles P-C4'-P energy: -78.863
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: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1714.401625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.401625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.401625 (E_RNA)
where:
Base-Base interactions energy: -1214.907
where: short stacking energy: -507.667
Base-Backbone interact. energy: 3.962
local terms energy: -503.456298
where:
bonds (distance) C4'-P energy: -79.381
bonds (distance) P-C4' energy: -89.960
flat angles C4'-P-C4' energy: -105.587
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -144.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1645.709225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.709225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.709225 (E_RNA)
where:
Base-Base interactions energy: -1160.298
where: short stacking energy: -491.990
Base-Backbone interact. energy: -1.209
local terms energy: -484.201400
where:
bonds (distance) C4'-P energy: -87.674
bonds (distance) P-C4' energy: -91.055
flat angles C4'-P-C4' energy: -102.995
flat angles P-C4'-P energy: -67.303
tors. eta vs tors. theta energy: -135.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1581.821619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.821619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.821619 (E_RNA)
where:
Base-Base interactions energy: -1104.089
where: short stacking energy: -449.632
Base-Backbone interact. energy: -1.318
local terms energy: -476.414869
where:
bonds (distance) C4'-P energy: -79.851
bonds (distance) P-C4' energy: -87.813
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -79.885
tors. eta vs tors. theta energy: -129.088
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: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1469.242733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.242733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.242733 (E_RNA)
where:
Base-Base interactions energy: -1025.814
where: short stacking energy: -432.629
Base-Backbone interact. energy: -2.394
local terms energy: -441.035365
where:
bonds (distance) C4'-P energy: -77.182
bonds (distance) P-C4' energy: -82.417
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -71.973
tors. eta vs tors. theta energy: -109.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1125.281802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.281802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.281802 (E_RNA)
where:
Base-Base interactions energy: -731.350
where: short stacking energy: -318.069
Base-Backbone interact. energy: 0.281
local terms energy: -394.212401
where:
bonds (distance) C4'-P energy: -75.895
bonds (distance) P-C4' energy: -71.012
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -67.325
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: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -977.979496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.979496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.979496 (E_RNA)
where:
Base-Base interactions energy: -638.194
where: short stacking energy: -284.458
Base-Backbone interact. energy: 1.135
local terms energy: -340.921044
where:
bonds (distance) C4'-P energy: -68.543
bonds (distance) P-C4' energy: -76.582
flat angles C4'-P-C4' energy: -78.646
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -63.839
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: 425
Temperature: 1.350000
Total energy: -713.061667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.061667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.061667 (E_RNA)
where:
Base-Base interactions energy: -420.629
where: short stacking energy: -208.411
Base-Backbone interact. energy: 6.460
local terms energy: -298.893304
where:
bonds (distance) C4'-P energy: -77.300
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -87.206
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1857.930547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.930547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.930547 (E_RNA)
where:
Base-Base interactions energy: -1289.238
where: short stacking energy: -529.665
Base-Backbone interact. energy: -3.865
local terms energy: -564.827072
where:
bonds (distance) C4'-P energy: -99.887
bonds (distance) P-C4' energy: -109.825
flat angles C4'-P-C4' energy: -116.483
flat angles P-C4'-P energy: -89.831
tors. eta vs tors. theta energy: -148.801
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: 426
Temperature: 0.950000
Total energy: -1790.022684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.022684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.022684 (E_RNA)
where:
Base-Base interactions energy: -1245.275
where: short stacking energy: -515.172
Base-Backbone interact. energy: -1.079
local terms energy: -543.668616
where:
bonds (distance) C4'-P energy: -94.126
bonds (distance) P-C4' energy: -90.925
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -81.246
tors. eta vs tors. theta energy: -159.633
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: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1721.959723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.959723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.959723 (E_RNA)
where:
Base-Base interactions energy: -1214.902
where: short stacking energy: -517.244
Base-Backbone interact. energy: -4.656
local terms energy: -502.401066
where:
bonds (distance) C4'-P energy: -85.411
bonds (distance) P-C4' energy: -98.811
flat angles C4'-P-C4' energy: -105.540
flat angles P-C4'-P energy: -74.989
tors. eta vs tors. theta energy: -137.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1693.550159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.550159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.550159 (E_RNA)
where:
Base-Base interactions energy: -1200.575
where: short stacking energy: -505.812
Base-Backbone interact. energy: 0.025
local terms energy: -492.999506
where:
bonds (distance) C4'-P energy: -75.944
bonds (distance) P-C4' energy: -85.099
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -150.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1649.373152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.373152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.373152 (E_RNA)
where:
Base-Base interactions energy: -1143.303
where: short stacking energy: -483.750
Base-Backbone interact. energy: -1.738
local terms energy: -504.331665
where:
bonds (distance) C4'-P energy: -75.261
bonds (distance) P-C4' energy: -97.335
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -80.988
tors. eta vs tors. theta energy: -142.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1585.396274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.396274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.396274 (E_RNA)
where:
Base-Base interactions energy: -1130.797
where: short stacking energy: -475.707
Base-Backbone interact. energy: -0.785
local terms energy: -453.814199
where:
bonds (distance) C4'-P energy: -80.287
bonds (distance) P-C4' energy: -77.690
flat angles C4'-P-C4' energy: -100.897
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -126.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1503.837866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.837866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.837866 (E_RNA)
where:
Base-Base interactions energy: -1055.899
where: short stacking energy: -429.717
Base-Backbone interact. energy: -1.666
local terms energy: -446.272894
where:
bonds (distance) C4'-P energy: -73.643
bonds (distance) P-C4' energy: -84.104
flat angles C4'-P-C4' energy: -105.030
flat angles P-C4'-P energy: -68.224
tors. eta vs tors. theta energy: -115.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1122.374906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.374906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.374906 (E_RNA)
where:
Base-Base interactions energy: -740.277
where: short stacking energy: -318.203
Base-Backbone interact. energy: -1.926
local terms energy: -380.171461
where:
bonds (distance) C4'-P energy: -78.851
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -92.106
flat angles P-C4'-P energy: -55.262
tors. eta vs tors. theta energy: -78.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1014.717045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.717045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.717045 (E_RNA)
where:
Base-Base interactions energy: -680.664
where: short stacking energy: -290.470
Base-Backbone interact. energy: 3.086
local terms energy: -337.138730
where:
bonds (distance) C4'-P energy: -77.641
bonds (distance) P-C4' energy: -77.162
flat angles C4'-P-C4' energy: -83.557
flat angles P-C4'-P energy: -52.889
tors. eta vs tors. theta energy: -45.889
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: 426
Temperature: 1.350000
Total energy: -733.416253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.416253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.416253 (E_RNA)
where:
Base-Base interactions energy: -438.183
where: short stacking energy: -188.329
Base-Backbone interact. energy: -0.036
local terms energy: -295.197216
where:
bonds (distance) C4'-P energy: -82.961
bonds (distance) P-C4' energy: -64.281
flat angles C4'-P-C4' energy: -79.004
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1834.699359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.699359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.699359 (E_RNA)
where:
Base-Base interactions energy: -1285.834
where: short stacking energy: -529.071
Base-Backbone interact. energy: -3.662
local terms energy: -545.202767
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -94.703
flat angles C4'-P-C4' energy: -110.007
flat angles P-C4'-P energy: -80.061
tors. eta vs tors. theta energy: -155.137
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: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1773.833490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.833490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.833490 (E_RNA)
where:
Base-Base interactions energy: -1260.495
where: short stacking energy: -529.628
Base-Backbone interact. energy: -1.436
local terms energy: -511.902841
where:
bonds (distance) C4'-P energy: -92.814
bonds (distance) P-C4' energy: -85.731
flat angles C4'-P-C4' energy: -112.726
flat angles P-C4'-P energy: -73.114
tors. eta vs tors. theta energy: -147.518
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: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1752.574412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.574412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.574412 (E_RNA)
where:
Base-Base interactions energy: -1224.363
where: short stacking energy: -509.117
Base-Backbone interact. energy: 1.522
local terms energy: -529.732692
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -104.495
flat angles C4'-P-C4' energy: -105.155
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -153.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1718.939560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.939560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.939560 (E_RNA)
where:
Base-Base interactions energy: -1207.311
where: short stacking energy: -488.787
Base-Backbone interact. energy: 0.315
local terms energy: -511.943665
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -118.166
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -144.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1611.294294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.294294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.294294 (E_RNA)
where:
Base-Base interactions energy: -1118.478
where: short stacking energy: -482.248
Base-Backbone interact. energy: -2.070
local terms energy: -490.747019
where:
bonds (distance) C4'-P energy: -92.802
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -103.558
flat angles P-C4'-P energy: -64.728
tors. eta vs tors. theta energy: -137.224
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1531.175974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.175974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.175974 (E_RNA)
where:
Base-Base interactions energy: -1084.233
where: short stacking energy: -432.924
Base-Backbone interact. energy: 5.228
local terms energy: -452.171670
where:
bonds (distance) C4'-P energy: -80.734
bonds (distance) P-C4' energy: -82.863
flat angles C4'-P-C4' energy: -93.667
flat angles P-C4'-P energy: -63.405
tors. eta vs tors. theta energy: -131.502
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: 427
Temperature: 1.200000
Total energy: -1506.317527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.317527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.317527 (E_RNA)
where:
Base-Base interactions energy: -1050.887
where: short stacking energy: -428.725
Base-Backbone interact. energy: -1.530
local terms energy: -453.900653
where:
bonds (distance) C4'-P energy: -75.914
bonds (distance) P-C4' energy: -94.840
flat angles C4'-P-C4' energy: -98.554
flat angles P-C4'-P energy: -66.175
tors. eta vs tors. theta energy: -118.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1170.900194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.900194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.900194 (E_RNA)
where:
Base-Base interactions energy: -754.142
where: short stacking energy: -339.803
Base-Backbone interact. energy: 4.433
local terms energy: -421.191150
where:
bonds (distance) C4'-P energy: -92.360
bonds (distance) P-C4' energy: -75.798
flat angles C4'-P-C4' energy: -97.652
flat angles P-C4'-P energy: -57.414
tors. eta vs tors. theta energy: -97.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -957.038311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.038311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.038311 (E_RNA)
where:
Base-Base interactions energy: -607.401
where: short stacking energy: -272.036
Base-Backbone interact. energy: -1.562
local terms energy: -348.075833
where:
bonds (distance) C4'-P energy: -84.415
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -77.518
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -60.271
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: 427
Temperature: 1.350000
Total energy: -725.646012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.646012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.646012 (E_RNA)
where:
Base-Base interactions energy: -423.670
where: short stacking energy: -213.524
Base-Backbone interact. energy: 2.599
local terms energy: -304.575300
where:
bonds (distance) C4'-P energy: -80.328
bonds (distance) P-C4' energy: -79.591
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -49.292
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1820.050201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.050201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.050201 (E_RNA)
where:
Base-Base interactions energy: -1295.905
where: short stacking energy: -535.780
Base-Backbone interact. energy: -0.416
local terms energy: -523.729197
where:
bonds (distance) C4'-P energy: -101.232
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -108.856
flat angles P-C4'-P energy: -79.870
tors. eta vs tors. theta energy: -146.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1794.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.882829 (E_RNA)
where:
Base-Base interactions energy: -1251.297
where: short stacking energy: -524.881
Base-Backbone interact. energy: -2.086
local terms energy: -541.499406
where:
bonds (distance) C4'-P energy: -83.287
bonds (distance) P-C4' energy: -106.071
flat angles C4'-P-C4' energy: -116.588
flat angles P-C4'-P energy: -85.171
tors. eta vs tors. theta energy: -150.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1738.581169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.581169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.581169 (E_RNA)
where:
Base-Base interactions energy: -1241.431
where: short stacking energy: -500.985
Base-Backbone interact. energy: -0.868
local terms energy: -496.282300
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -97.478
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -66.286
tors. eta vs tors. theta energy: -127.984
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: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1727.779723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.779723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.779723 (E_RNA)
where:
Base-Base interactions energy: -1241.464
where: short stacking energy: -505.915
Base-Backbone interact. energy: -1.838
local terms energy: -484.477227
where:
bonds (distance) C4'-P energy: -70.420
bonds (distance) P-C4' energy: -101.473
flat angles C4'-P-C4' energy: -99.537
flat angles P-C4'-P energy: -68.308
tors. eta vs tors. theta energy: -144.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1632.507470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.507470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.507470 (E_RNA)
where:
Base-Base interactions energy: -1158.624
where: short stacking energy: -479.841
Base-Backbone interact. energy: 1.549
local terms energy: -475.432593
where:
bonds (distance) C4'-P energy: -94.747
bonds (distance) P-C4' energy: -88.912
flat angles C4'-P-C4' energy: -92.166
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -141.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1519.904520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.904520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.904520 (E_RNA)
where:
Base-Base interactions energy: -1060.254
where: short stacking energy: -462.543
Base-Backbone interact. energy: -3.676
local terms energy: -455.974854
where:
bonds (distance) C4'-P energy: -84.649
bonds (distance) P-C4' energy: -84.488
flat angles C4'-P-C4' energy: -88.537
flat angles P-C4'-P energy: -66.470
tors. eta vs tors. theta energy: -131.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1496.076127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.076127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.076127 (E_RNA)
where:
Base-Base interactions energy: -1053.821
where: short stacking energy: -429.301
Base-Backbone interact. energy: 0.115
local terms energy: -442.370103
where:
bonds (distance) C4'-P energy: -91.741
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -89.848
flat angles P-C4'-P energy: -76.103
tors. eta vs tors. theta energy: -119.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1192.727906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.727906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.727906 (E_RNA)
where:
Base-Base interactions energy: -781.142
where: short stacking energy: -350.681
Base-Backbone interact. energy: -0.570
local terms energy: -411.016063
where:
bonds (distance) C4'-P energy: -77.644
bonds (distance) P-C4' energy: -89.585
flat angles C4'-P-C4' energy: -97.159
flat angles P-C4'-P energy: -46.897
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: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -977.373591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.373591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.373591 (E_RNA)
where:
Base-Base interactions energy: -633.520
where: short stacking energy: -283.012
Base-Backbone interact. energy: 3.613
local terms energy: -347.466690
where:
bonds (distance) C4'-P energy: -73.183
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -97.745
flat angles P-C4'-P energy: -48.407
tors. eta vs tors. theta energy: -52.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -696.123309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.123309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.123309 (E_RNA)
where:
Base-Base interactions energy: -396.300
where: short stacking energy: -197.105
Base-Backbone interact. energy: -2.608
local terms energy: -297.215101
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -74.761
flat angles C4'-P-C4' energy: -76.968
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -13.893
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: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1816.850453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.850453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.850453 (E_RNA)
where:
Base-Base interactions energy: -1305.394
where: short stacking energy: -527.526
Base-Backbone interact. energy: -1.853
local terms energy: -509.603849
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -91.546
flat angles C4'-P-C4' energy: -102.664
flat angles P-C4'-P energy: -79.299
tors. eta vs tors. theta energy: -141.231
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1775.117333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.117333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.117333 (E_RNA)
where:
Base-Base interactions energy: -1250.025
where: short stacking energy: -528.720
Base-Backbone interact. energy: -2.722
local terms energy: -522.370354
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -91.280
flat angles C4'-P-C4' energy: -109.643
flat angles P-C4'-P energy: -79.394
tors. eta vs tors. theta energy: -144.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1718.945211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.945211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.945211 (E_RNA)
where:
Base-Base interactions energy: -1196.389
where: short stacking energy: -498.713
Base-Backbone interact. energy: -1.659
local terms energy: -520.897348
where:
bonds (distance) C4'-P energy: -84.877
bonds (distance) P-C4' energy: -92.607
flat angles C4'-P-C4' energy: -117.580
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -147.015
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: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1695.885605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.885605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.885605 (E_RNA)
where:
Base-Base interactions energy: -1197.043
where: short stacking energy: -483.532
Base-Backbone interact. energy: -0.026
local terms energy: -498.816159
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -87.941
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -78.144
tors. eta vs tors. theta energy: -132.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1679.885559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.885559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.885559 (E_RNA)
where:
Base-Base interactions energy: -1178.242
where: short stacking energy: -480.396
Base-Backbone interact. energy: -2.639
local terms energy: -499.004733
where:
bonds (distance) C4'-P energy: -85.269
bonds (distance) P-C4' energy: -91.820
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -75.035
tors. eta vs tors. theta energy: -147.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1549.315891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.315891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.315891 (E_RNA)
where:
Base-Base interactions energy: -1093.946
where: short stacking energy: -448.845
Base-Backbone interact. energy: -0.053
local terms energy: -455.317531
where:
bonds (distance) C4'-P energy: -72.988
bonds (distance) P-C4' energy: -90.417
flat angles C4'-P-C4' energy: -98.446
flat angles P-C4'-P energy: -74.220
tors. eta vs tors. theta energy: -119.247
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: 429
Temperature: 1.200000
Total energy: -1489.555723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.555723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.555723 (E_RNA)
where:
Base-Base interactions energy: -1063.050
where: short stacking energy: -427.681
Base-Backbone interact. energy: -2.144
local terms energy: -424.361379
where:
bonds (distance) C4'-P energy: -84.722
bonds (distance) P-C4' energy: -77.703
flat angles C4'-P-C4' energy: -90.709
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -112.483
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1125.010032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.010032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.010032 (E_RNA)
where:
Base-Base interactions energy: -772.400
where: short stacking energy: -329.700
Base-Backbone interact. energy: -0.084
local terms energy: -352.526087
where:
bonds (distance) C4'-P energy: -62.487
bonds (distance) P-C4' energy: -77.595
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -75.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1009.751493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.751493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.751493 (E_RNA)
where:
Base-Base interactions energy: -684.173
where: short stacking energy: -304.379
Base-Backbone interact. energy: 0.568
local terms energy: -326.146911
where:
bonds (distance) C4'-P energy: -74.029
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -59.167
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: 429
Temperature: 1.350000
Total energy: -768.449175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.449175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.449175 (E_RNA)
where:
Base-Base interactions energy: -480.540
where: short stacking energy: -233.169
Base-Backbone interact. energy: 2.005
local terms energy: -289.913812
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -75.940
flat angles C4'-P-C4' energy: -65.724
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: -35.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1816.180512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.180512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.180512 (E_RNA)
where:
Base-Base interactions energy: -1300.764
where: short stacking energy: -538.353
Base-Backbone interact. energy: -1.858
local terms energy: -513.558042
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -96.673
flat angles C4'-P-C4' energy: -102.196
flat angles P-C4'-P energy: -77.135
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: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1784.877867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.877867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.877867 (E_RNA)
where:
Base-Base interactions energy: -1277.389
where: short stacking energy: -518.083
Base-Backbone interact. energy: 2.260
local terms energy: -509.748339
where:
bonds (distance) C4'-P energy: -75.698
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -121.275
flat angles P-C4'-P energy: -73.652
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1729.918054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.918054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.918054 (E_RNA)
where:
Base-Base interactions energy: -1222.877
where: short stacking energy: -516.794
Base-Backbone interact. energy: 4.036
local terms energy: -511.077203
where:
bonds (distance) C4'-P energy: -91.749
bonds (distance) P-C4' energy: -90.267
flat angles C4'-P-C4' energy: -113.077
flat angles P-C4'-P energy: -79.476
tors. eta vs tors. theta energy: -136.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1717.960753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.960753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.960753 (E_RNA)
where:
Base-Base interactions energy: -1232.089
where: short stacking energy: -506.322
Base-Backbone interact. energy: -2.600
local terms energy: -483.271122
where:
bonds (distance) C4'-P energy: -84.081
bonds (distance) P-C4' energy: -87.549
flat angles C4'-P-C4' energy: -100.705
flat angles P-C4'-P energy: -66.809
tors. eta vs tors. theta energy: -144.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1684.807785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.807785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.807785 (E_RNA)
where:
Base-Base interactions energy: -1196.682
where: short stacking energy: -496.426
Base-Backbone interact. energy: -1.338
local terms energy: -486.787596
where:
bonds (distance) C4'-P energy: -89.677
bonds (distance) P-C4' energy: -82.876
flat angles C4'-P-C4' energy: -109.109
flat angles P-C4'-P energy: -64.677
tors. eta vs tors. theta energy: -140.449
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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1549.734791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.734791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.734791 (E_RNA)
where:
Base-Base interactions energy: -1102.449
where: short stacking energy: -451.090
Base-Backbone interact. energy: -1.707
local terms energy: -445.578841
where:
bonds (distance) C4'-P energy: -86.671
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -91.934
flat angles P-C4'-P energy: -68.345
tors. eta vs tors. theta energy: -130.424
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1478.293802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.293802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.293802 (E_RNA)
where:
Base-Base interactions energy: -1042.729
where: short stacking energy: -427.973
Base-Backbone interact. energy: -0.129
local terms energy: -435.436075
where:
bonds (distance) C4'-P energy: -89.112
bonds (distance) P-C4' energy: -73.625
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -59.717
tors. eta vs tors. theta energy: -114.647
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: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1126.373553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.373553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.373553 (E_RNA)
where:
Base-Base interactions energy: -728.668
where: short stacking energy: -306.633
Base-Backbone interact. energy: -2.335
local terms energy: -395.370536
where:
bonds (distance) C4'-P energy: -84.703
bonds (distance) P-C4' energy: -86.165
flat angles C4'-P-C4' energy: -81.624
flat angles P-C4'-P energy: -66.231
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -979.065385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.065385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.065385 (E_RNA)
where:
Base-Base interactions energy: -619.673
where: short stacking energy: -284.170
Base-Backbone interact. energy: -1.399
local terms energy: -357.992954
where:
bonds (distance) C4'-P energy: -96.988
bonds (distance) P-C4' energy: -83.700
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -55.840
tors. eta vs tors. theta energy: -50.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -728.652415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.652415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.652415 (E_RNA)
where:
Base-Base interactions energy: -422.336
where: short stacking energy: -223.894
Base-Backbone interact. energy: 2.470
local terms energy: -308.786237
where:
bonds (distance) C4'-P energy: -79.955
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -49.250
tors. eta vs tors. theta energy: -30.167
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: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1822.303859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.303859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.303859 (E_RNA)
where:
Base-Base interactions energy: -1265.744
where: short stacking energy: -499.881
Base-Backbone interact. energy: -1.451
local terms energy: -555.109405
where:
bonds (distance) C4'-P energy: -101.222
bonds (distance) P-C4' energy: -106.404
flat angles C4'-P-C4' energy: -112.208
flat angles P-C4'-P energy: -87.275
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: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1789.664316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.664316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.664316 (E_RNA)
where:
Base-Base interactions energy: -1262.031
where: short stacking energy: -513.601
Base-Backbone interact. energy: -1.487
local terms energy: -526.146107
where:
bonds (distance) C4'-P energy: -95.634
bonds (distance) P-C4' energy: -95.524
flat angles C4'-P-C4' energy: -106.973
flat angles P-C4'-P energy: -78.526
tors. eta vs tors. theta energy: -149.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1738.651235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.651235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.651235 (E_RNA)
where:
Base-Base interactions energy: -1207.496
where: short stacking energy: -515.318
Base-Backbone interact. energy: -1.497
local terms energy: -529.658749
where:
bonds (distance) C4'-P energy: -95.618
bonds (distance) P-C4' energy: -102.150
flat angles C4'-P-C4' energy: -100.977
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -150.332
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1696.088394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.088394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.088394 (E_RNA)
where:
Base-Base interactions energy: -1189.431
where: short stacking energy: -502.197
Base-Backbone interact. energy: -2.114
local terms energy: -504.543366
where:
bonds (distance) C4'-P energy: -80.584
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -105.428
flat angles P-C4'-P energy: -74.050
tors. eta vs tors. theta energy: -145.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1648.505729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.505729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.505729 (E_RNA)
where:
Base-Base interactions energy: -1154.674
where: short stacking energy: -499.213
Base-Backbone interact. energy: -2.053
local terms energy: -491.777918
where:
bonds (distance) C4'-P energy: -81.570
bonds (distance) P-C4' energy: -92.915
flat angles C4'-P-C4' energy: -102.993
flat angles P-C4'-P energy: -69.189
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: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1529.112126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.112126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.112126 (E_RNA)
where:
Base-Base interactions energy: -1099.434
where: short stacking energy: -449.858
Base-Backbone interact. energy: -1.888
local terms energy: -427.790338
where:
bonds (distance) C4'-P energy: -77.785
bonds (distance) P-C4' energy: -89.337
flat angles C4'-P-C4' energy: -86.344
flat angles P-C4'-P energy: -59.195
tors. eta vs tors. theta energy: -115.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1501.228101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.228101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.228101 (E_RNA)
where:
Base-Base interactions energy: -1060.540
where: short stacking energy: -440.322
Base-Backbone interact. energy: -1.669
local terms energy: -439.019902
where:
bonds (distance) C4'-P energy: -68.129
bonds (distance) P-C4' energy: -84.840
flat angles C4'-P-C4' energy: -97.792
flat angles P-C4'-P energy: -66.497
tors. eta vs tors. theta energy: -121.762
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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1213.718825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.718825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.718825 (E_RNA)
where:
Base-Base interactions energy: -814.861
where: short stacking energy: -334.292
Base-Backbone interact. energy: -1.104
local terms energy: -397.754239
where:
bonds (distance) C4'-P energy: -78.401
bonds (distance) P-C4' energy: -96.061
flat angles C4'-P-C4' energy: -82.860
flat angles P-C4'-P energy: -53.456
tors. eta vs tors. theta energy: -86.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -968.952962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.952962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.952962 (E_RNA)
where:
Base-Base interactions energy: -620.673
where: short stacking energy: -276.877
Base-Backbone interact. energy: -1.987
local terms energy: -346.293237
where:
bonds (distance) C4'-P energy: -68.458
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -61.601
flat angles P-C4'-P energy: -70.550
tors. eta vs tors. theta energy: -54.989
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: 431
Temperature: 1.350000
Total energy: -715.448801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.448801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.448801 (E_RNA)
where:
Base-Base interactions energy: -410.444
where: short stacking energy: -187.054
Base-Backbone interact. energy: -0.900
local terms energy: -304.104571
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -78.501
flat angles C4'-P-C4' energy: -79.119
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -18.494
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: 432
Temperature: 0.900000
Total energy: -1838.602055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.602055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.602055 (E_RNA)
where:
Base-Base interactions energy: -1312.646
where: short stacking energy: -542.009
Base-Backbone interact. energy: -2.854
local terms energy: -523.101822
where:
bonds (distance) C4'-P energy: -85.622
bonds (distance) P-C4' energy: -93.586
flat angles C4'-P-C4' energy: -116.849
flat angles P-C4'-P energy: -83.936
tors. eta vs tors. theta energy: -143.109
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1782.434614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.434614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.434614 (E_RNA)
where:
Base-Base interactions energy: -1252.729
where: short stacking energy: -514.818
Base-Backbone interact. energy: -4.325
local terms energy: -525.380321
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -105.732
flat angles C4'-P-C4' energy: -106.300
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -142.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1723.411173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.411173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.411173 (E_RNA)
where:
Base-Base interactions energy: -1210.085
where: short stacking energy: -489.993
Base-Backbone interact. energy: -2.907
local terms energy: -510.418553
where:
bonds (distance) C4'-P energy: -87.669
bonds (distance) P-C4' energy: -98.716
flat angles C4'-P-C4' energy: -100.975
flat angles P-C4'-P energy: -70.973
tors. eta vs tors. theta energy: -152.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1699.302854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.302854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.302854 (E_RNA)
where:
Base-Base interactions energy: -1184.719
where: short stacking energy: -480.924
Base-Backbone interact. energy: -2.148
local terms energy: -512.436648
where:
bonds (distance) C4'-P energy: -89.896
bonds (distance) P-C4' energy: -96.402
flat angles C4'-P-C4' energy: -111.974
flat angles P-C4'-P energy: -75.564
tors. eta vs tors. theta energy: -138.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1627.225938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.225938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.225938 (E_RNA)
where:
Base-Base interactions energy: -1136.921
where: short stacking energy: -463.620
Base-Backbone interact. energy: -1.065
local terms energy: -489.239362
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -92.814
flat angles C4'-P-C4' energy: -97.099
flat angles P-C4'-P energy: -77.514
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1603.812571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.812571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.812571 (E_RNA)
where:
Base-Base interactions energy: -1105.118
where: short stacking energy: -452.851
Base-Backbone interact. energy: -0.577
local terms energy: -498.116882
where:
bonds (distance) C4'-P energy: -99.457
bonds (distance) P-C4' energy: -93.454
flat angles C4'-P-C4' energy: -98.675
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -129.116
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: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1504.085519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.085519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.085519 (E_RNA)
where:
Base-Base interactions energy: -1060.532
where: short stacking energy: -441.384
Base-Backbone interact. energy: -0.653
local terms energy: -442.901159
where:
bonds (distance) C4'-P energy: -66.946
bonds (distance) P-C4' energy: -76.518
flat angles C4'-P-C4' energy: -98.032
flat angles P-C4'-P energy: -73.328
tors. eta vs tors. theta energy: -128.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1220.002684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.002684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.002684 (E_RNA)
where:
Base-Base interactions energy: -796.236
where: short stacking energy: -372.804
Base-Backbone interact. energy: 0.810
local terms energy: -424.576785
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -85.942
flat angles C4'-P-C4' energy: -98.327
flat angles P-C4'-P energy: -56.525
tors. eta vs tors. theta energy: -101.322
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: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -941.418126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.418126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.418126 (E_RNA)
where:
Base-Base interactions energy: -606.400
where: short stacking energy: -254.626
Base-Backbone interact. energy: -0.825
local terms energy: -334.192972
where:
bonds (distance) C4'-P energy: -72.342
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -72.791
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -663.150436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.150436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.150436 (E_RNA)
where:
Base-Base interactions energy: -398.913
where: short stacking energy: -186.226
Base-Backbone interact. energy: 2.584
local terms energy: -266.821563
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -87.232
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1836.125895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.125895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.125895 (E_RNA)
where:
Base-Base interactions energy: -1284.472
where: short stacking energy: -533.947
Base-Backbone interact. energy: -2.284
local terms energy: -549.370375
where:
bonds (distance) C4'-P energy: -95.308
bonds (distance) P-C4' energy: -98.113
flat angles C4'-P-C4' energy: -115.773
flat angles P-C4'-P energy: -81.924
tors. eta vs tors. theta energy: -158.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1795.849169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.849169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.849169 (E_RNA)
where:
Base-Base interactions energy: -1276.242
where: short stacking energy: -522.019
Base-Backbone interact. energy: -3.027
local terms energy: -516.580338
where:
bonds (distance) C4'-P energy: -90.787
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -110.179
flat angles P-C4'-P energy: -77.918
tors. eta vs tors. theta energy: -138.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1773.849806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.849806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.849806 (E_RNA)
where:
Base-Base interactions energy: -1275.456
where: short stacking energy: -544.535
Base-Backbone interact. energy: -0.891
local terms energy: -497.503080
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -85.660
flat angles C4'-P-C4' energy: -104.635
flat angles P-C4'-P energy: -70.330
tors. eta vs tors. theta energy: -151.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1676.030479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.030479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.030479 (E_RNA)
where:
Base-Base interactions energy: -1166.396
where: short stacking energy: -495.873
Base-Backbone interact. energy: -2.292
local terms energy: -507.341764
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -98.336
flat angles C4'-P-C4' energy: -103.512
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -142.789
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1634.953985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.953985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.953985 (E_RNA)
where:
Base-Base interactions energy: -1144.563
where: short stacking energy: -471.624
Base-Backbone interact. energy: -1.061
local terms energy: -489.330624
where:
bonds (distance) C4'-P energy: -83.617
bonds (distance) P-C4' energy: -88.358
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -72.157
tors. eta vs tors. theta energy: -139.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1571.451768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.451768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.451768 (E_RNA)
where:
Base-Base interactions energy: -1100.650
where: short stacking energy: -455.829
Base-Backbone interact. energy: -1.008
local terms energy: -469.793465
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -81.599
flat angles C4'-P-C4' energy: -97.727
flat angles P-C4'-P energy: -66.490
tors. eta vs tors. theta energy: -126.786
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1580.923692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.923692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.923692 (E_RNA)
where:
Base-Base interactions energy: -1105.337
where: short stacking energy: -456.948
Base-Backbone interact. energy: -1.594
local terms energy: -473.993035
where:
bonds (distance) C4'-P energy: -82.444
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -98.948
flat angles P-C4'-P energy: -67.887
tors. eta vs tors. theta energy: -132.966
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: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1241.567696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.567696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.567696 (E_RNA)
where:
Base-Base interactions energy: -848.688
where: short stacking energy: -363.146
Base-Backbone interact. energy: 5.860
local terms energy: -398.740411
where:
bonds (distance) C4'-P energy: -94.250
bonds (distance) P-C4' energy: -76.633
flat angles C4'-P-C4' energy: -85.398
flat angles P-C4'-P energy: -57.494
tors. eta vs tors. theta energy: -84.965
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: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -908.279511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.279511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.279511 (E_RNA)
where:
Base-Base interactions energy: -587.279
where: short stacking energy: -266.401
Base-Backbone interact. energy: 9.497
local terms energy: -330.497503
where:
bonds (distance) C4'-P energy: -82.340
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -91.379
flat angles P-C4'-P energy: -49.107
tors. eta vs tors. theta energy: -52.970
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -703.429777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.429777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.429777 (E_RNA)
where:
Base-Base interactions energy: -436.198
where: short stacking energy: -200.909
Base-Backbone interact. energy: -0.737
local terms energy: -266.494204
where:
bonds (distance) C4'-P energy: -61.492
bonds (distance) P-C4' energy: -62.965
flat angles C4'-P-C4' energy: -77.680
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -22.650
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: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1810.123693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.123693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.123693 (E_RNA)
where:
Base-Base interactions energy: -1272.726
where: short stacking energy: -536.620
Base-Backbone interact. energy: -0.590
local terms energy: -536.807365
where:
bonds (distance) C4'-P energy: -96.498
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -113.176
flat angles P-C4'-P energy: -81.719
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: 434
Temperature: 0.950000
Total energy: -1811.737949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.737949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.737949 (E_RNA)
where:
Base-Base interactions energy: -1290.691
where: short stacking energy: -531.247
Base-Backbone interact. energy: -2.042
local terms energy: -519.005445
where:
bonds (distance) C4'-P energy: -94.615
bonds (distance) P-C4' energy: -94.493
flat angles C4'-P-C4' energy: -102.788
flat angles P-C4'-P energy: -78.888
tors. eta vs tors. theta energy: -148.222
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: 434
Temperature: 1.000000
Total energy: -1756.034803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.034803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.034803 (E_RNA)
where:
Base-Base interactions energy: -1228.866
where: short stacking energy: -513.315
Base-Backbone interact. energy: -0.518
local terms energy: -526.651472
where:
bonds (distance) C4'-P energy: -91.562
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -156.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1684.528892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.528892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.528892 (E_RNA)
where:
Base-Base interactions energy: -1182.237
where: short stacking energy: -491.922
Base-Backbone interact. energy: -1.564
local terms energy: -500.728080
where:
bonds (distance) C4'-P energy: -86.627
bonds (distance) P-C4' energy: -94.675
flat angles C4'-P-C4' energy: -97.781
flat angles P-C4'-P energy: -71.509
tors. eta vs tors. theta energy: -150.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1631.409161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.409161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.409161 (E_RNA)
where:
Base-Base interactions energy: -1165.039
where: short stacking energy: -476.454
Base-Backbone interact. energy: -1.682
local terms energy: -464.687681
where:
bonds (distance) C4'-P energy: -77.896
bonds (distance) P-C4' energy: -76.535
flat angles C4'-P-C4' energy: -103.266
flat angles P-C4'-P energy: -71.278
tors. eta vs tors. theta energy: -135.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1591.504077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.504077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.504077 (E_RNA)
where:
Base-Base interactions energy: -1118.251
where: short stacking energy: -453.823
Base-Backbone interact. energy: -0.760
local terms energy: -472.492298
where:
bonds (distance) C4'-P energy: -82.419
bonds (distance) P-C4' energy: -86.891
flat angles C4'-P-C4' energy: -101.075
flat angles P-C4'-P energy: -71.056
tors. eta vs tors. theta energy: -131.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1502.602043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.602043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.602043 (E_RNA)
where:
Base-Base interactions energy: -1054.076
where: short stacking energy: -436.456
Base-Backbone interact. energy: -2.737
local terms energy: -445.789500
where:
bonds (distance) C4'-P energy: -73.431
bonds (distance) P-C4' energy: -80.144
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: -120.950
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: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1217.541442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.541442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.541442 (E_RNA)
where:
Base-Base interactions energy: -832.136
where: short stacking energy: -348.466
Base-Backbone interact. energy: 1.352
local terms energy: -386.756713
where:
bonds (distance) C4'-P energy: -89.854
bonds (distance) P-C4' energy: -74.404
flat angles C4'-P-C4' energy: -88.434
flat angles P-C4'-P energy: -46.486
tors. eta vs tors. theta energy: -87.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -886.261396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.261396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.261396 (E_RNA)
where:
Base-Base interactions energy: -568.391
where: short stacking energy: -268.745
Base-Backbone interact. energy: -1.835
local terms energy: -316.035551
where:
bonds (distance) C4'-P energy: -57.526
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -92.994
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -39.824
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: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -700.059464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.059464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.059464 (E_RNA)
where:
Base-Base interactions energy: -401.877
where: short stacking energy: -206.917
Base-Backbone interact. energy: 0.074
local terms energy: -298.256659
where:
bonds (distance) C4'-P energy: -81.517
bonds (distance) P-C4' energy: -81.331
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -27.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1827.987442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.987442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.987442 (E_RNA)
where:
Base-Base interactions energy: -1292.967
where: short stacking energy: -546.751
Base-Backbone interact. energy: -2.122
local terms energy: -532.898666
where:
bonds (distance) C4'-P energy: -103.133
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -117.427
flat angles P-C4'-P energy: -72.820
tors. eta vs tors. theta energy: -147.839
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: 435
Temperature: 0.950000
Total energy: -1804.554110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.554110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.554110 (E_RNA)
where:
Base-Base interactions energy: -1267.670
where: short stacking energy: -528.902
Base-Backbone interact. energy: -1.589
local terms energy: -535.295501
where:
bonds (distance) C4'-P energy: -88.695
bonds (distance) P-C4' energy: -99.910
flat angles C4'-P-C4' energy: -112.903
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: -147.271
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1739.017610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.017610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.017610 (E_RNA)
where:
Base-Base interactions energy: -1235.011
where: short stacking energy: -504.955
Base-Backbone interact. energy: 2.690
local terms energy: -506.695784
where:
bonds (distance) C4'-P energy: -95.903
bonds (distance) P-C4' energy: -90.330
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -73.895
tors. eta vs tors. theta energy: -141.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1702.526782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.526782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.526782 (E_RNA)
where:
Base-Base interactions energy: -1180.806
where: short stacking energy: -501.191
Base-Backbone interact. energy: -2.763
local terms energy: -518.957725
where:
bonds (distance) C4'-P energy: -92.734
bonds (distance) P-C4' energy: -97.250
flat angles C4'-P-C4' energy: -111.473
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -149.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1613.319589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.319589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.319589 (E_RNA)
where:
Base-Base interactions energy: -1144.347
where: short stacking energy: -476.541
Base-Backbone interact. energy: -2.014
local terms energy: -466.958890
where:
bonds (distance) C4'-P energy: -86.496
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -98.295
flat angles P-C4'-P energy: -57.518
tors. eta vs tors. theta energy: -136.326
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: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1546.413314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.413314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.413314 (E_RNA)
where:
Base-Base interactions energy: -1086.441
where: short stacking energy: -424.171
Base-Backbone interact. energy: -1.640
local terms energy: -458.332349
where:
bonds (distance) C4'-P energy: -80.110
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -65.424
tors. eta vs tors. theta energy: -122.190
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: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1492.794713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.794713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.794713 (E_RNA)
where:
Base-Base interactions energy: -1048.686
where: short stacking energy: -439.329
Base-Backbone interact. energy: 1.249
local terms energy: -445.357911
where:
bonds (distance) C4'-P energy: -81.047
bonds (distance) P-C4' energy: -84.967
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -60.284
tors. eta vs tors. theta energy: -122.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1196.786029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.786029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.786029 (E_RNA)
where:
Base-Base interactions energy: -790.237
where: short stacking energy: -346.302
Base-Backbone interact. energy: -1.202
local terms energy: -405.347099
where:
bonds (distance) C4'-P energy: -82.082
bonds (distance) P-C4' energy: -85.225
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -54.837
tors. eta vs tors. theta energy: -89.588
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: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -859.664642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.664642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.664642 (E_RNA)
where:
Base-Base interactions energy: -532.386
where: short stacking energy: -249.254
Base-Backbone interact. energy: 0.351
local terms energy: -327.630293
where:
bonds (distance) C4'-P energy: -63.256
bonds (distance) P-C4' energy: -88.402
flat angles C4'-P-C4' energy: -71.513
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -666.614671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.614671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.614671 (E_RNA)
where:
Base-Base interactions energy: -370.062
where: short stacking energy: -199.624
Base-Backbone interact. energy: 2.692
local terms energy: -299.244437
where:
bonds (distance) C4'-P energy: -70.209
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -68.802
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -25.709
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: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1808.920936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.920936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.920936 (E_RNA)
where:
Base-Base interactions energy: -1258.762
where: short stacking energy: -544.374
Base-Backbone interact. energy: 1.248
local terms energy: -551.407496
where:
bonds (distance) C4'-P energy: -98.806
bonds (distance) P-C4' energy: -100.055
flat angles C4'-P-C4' energy: -115.509
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -158.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1800.481798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.481798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.481798 (E_RNA)
where:
Base-Base interactions energy: -1285.988
where: short stacking energy: -538.593
Base-Backbone interact. energy: 1.471
local terms energy: -515.964813
where:
bonds (distance) C4'-P energy: -95.604
bonds (distance) P-C4' energy: -93.211
flat angles C4'-P-C4' energy: -106.036
flat angles P-C4'-P energy: -73.782
tors. eta vs tors. theta energy: -147.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1730.627338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.627338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.627338 (E_RNA)
where:
Base-Base interactions energy: -1208.975
where: short stacking energy: -494.555
Base-Backbone interact. energy: 0.182
local terms energy: -521.834658
where:
bonds (distance) C4'-P energy: -94.796
bonds (distance) P-C4' energy: -102.237
flat angles C4'-P-C4' energy: -106.603
flat angles P-C4'-P energy: -73.229
tors. eta vs tors. theta energy: -144.969
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: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1711.872864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.872864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.872864 (E_RNA)
where:
Base-Base interactions energy: -1214.856
where: short stacking energy: -504.627
Base-Backbone interact. energy: -1.206
local terms energy: -495.810018
where:
bonds (distance) C4'-P energy: -84.283
bonds (distance) P-C4' energy: -92.106
flat angles C4'-P-C4' energy: -102.097
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -148.229
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: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1626.964253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.964253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.964253 (E_RNA)
where:
Base-Base interactions energy: -1136.299
where: short stacking energy: -461.834
Base-Backbone interact. energy: -1.234
local terms energy: -489.431117
where:
bonds (distance) C4'-P energy: -87.791
bonds (distance) P-C4' energy: -92.157
flat angles C4'-P-C4' energy: -87.976
flat angles P-C4'-P energy: -83.873
tors. eta vs tors. theta energy: -137.634
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1560.656697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.656697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.656697 (E_RNA)
where:
Base-Base interactions energy: -1090.975
where: short stacking energy: -444.032
Base-Backbone interact. energy: -1.519
local terms energy: -468.162155
where:
bonds (distance) C4'-P energy: -86.245
bonds (distance) P-C4' energy: -102.956
flat angles C4'-P-C4' energy: -92.477
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -121.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1474.250025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.250025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.250025 (E_RNA)
where:
Base-Base interactions energy: -1039.524
where: short stacking energy: -423.683
Base-Backbone interact. energy: -2.784
local terms energy: -431.941850
where:
bonds (distance) C4'-P energy: -89.135
bonds (distance) P-C4' energy: -84.122
flat angles C4'-P-C4' energy: -94.734
flat angles P-C4'-P energy: -57.669
tors. eta vs tors. theta energy: -106.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1154.675250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.675250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.675250 (E_RNA)
where:
Base-Base interactions energy: -762.759
where: short stacking energy: -324.228
Base-Backbone interact. energy: -2.372
local terms energy: -389.544482
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -84.942
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -75.455
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -847.471302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.471302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.471302 (E_RNA)
where:
Base-Base interactions energy: -529.778
where: short stacking energy: -238.251
Base-Backbone interact. energy: 2.662
local terms energy: -320.355618
where:
bonds (distance) C4'-P energy: -76.041
bonds (distance) P-C4' energy: -91.031
flat angles C4'-P-C4' energy: -71.956
flat angles P-C4'-P energy: -52.840
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -591.005425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.005425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.005425 (E_RNA)
where:
Base-Base interactions energy: -341.273
where: short stacking energy: -174.403
Base-Backbone interact. energy: -1.936
local terms energy: -247.796544
where:
bonds (distance) C4'-P energy: -65.175
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -55.399
tors. eta vs tors. theta energy: 7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1816.923245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.923245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.923245 (E_RNA)
where:
Base-Base interactions energy: -1279.488
where: short stacking energy: -543.776
Base-Backbone interact. energy: -0.662
local terms energy: -536.772725
where:
bonds (distance) C4'-P energy: -95.385
bonds (distance) P-C4' energy: -85.112
flat angles C4'-P-C4' energy: -115.524
flat angles P-C4'-P energy: -82.668
tors. eta vs tors. theta energy: -158.084
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: 437
Temperature: 0.950000
Total energy: -1800.775451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.775451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.775451 (E_RNA)
where:
Base-Base interactions energy: -1284.035
where: short stacking energy: -524.148
Base-Backbone interact. energy: -0.564
local terms energy: -516.176163
where:
bonds (distance) C4'-P energy: -83.390
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -105.795
flat angles P-C4'-P energy: -75.869
tors. eta vs tors. theta energy: -149.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1732.704576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.704576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.704576 (E_RNA)
where:
Base-Base interactions energy: -1231.360
where: short stacking energy: -481.681
Base-Backbone interact. energy: -0.899
local terms energy: -500.445964
where:
bonds (distance) C4'-P energy: -82.976
bonds (distance) P-C4' energy: -96.079
flat angles C4'-P-C4' energy: -107.578
flat angles P-C4'-P energy: -75.364
tors. eta vs tors. theta energy: -138.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1710.655982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.655982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.655982 (E_RNA)
where:
Base-Base interactions energy: -1220.719
where: short stacking energy: -487.717
Base-Backbone interact. energy: -1.631
local terms energy: -488.306115
where:
bonds (distance) C4'-P energy: -93.690
bonds (distance) P-C4' energy: -88.961
flat angles C4'-P-C4' energy: -106.504
flat angles P-C4'-P energy: -63.100
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: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1638.297007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.297007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.297007 (E_RNA)
where:
Base-Base interactions energy: -1177.162
where: short stacking energy: -483.389
Base-Backbone interact. energy: 1.910
local terms energy: -463.044754
where:
bonds (distance) C4'-P energy: -79.901
bonds (distance) P-C4' energy: -77.147
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -69.396
tors. eta vs tors. theta energy: -135.474
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: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1564.556826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.556826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.556826 (E_RNA)
where:
Base-Base interactions energy: -1120.237
where: short stacking energy: -454.185
Base-Backbone interact. energy: -1.454
local terms energy: -442.866059
where:
bonds (distance) C4'-P energy: -78.093
bonds (distance) P-C4' energy: -77.033
flat angles C4'-P-C4' energy: -96.114
flat angles P-C4'-P energy: -65.569
tors. eta vs tors. theta energy: -126.056
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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1508.364030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.364030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.364030 (E_RNA)
where:
Base-Base interactions energy: -1074.224
where: short stacking energy: -443.345
Base-Backbone interact. energy: -0.959
local terms energy: -433.180471
where:
bonds (distance) C4'-P energy: -75.167
bonds (distance) P-C4' energy: -66.697
flat angles C4'-P-C4' energy: -99.486
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -122.989
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: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1123.728286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.728286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.728286 (E_RNA)
where:
Base-Base interactions energy: -726.485
where: short stacking energy: -344.591
Base-Backbone interact. energy: -2.019
local terms energy: -395.224788
where:
bonds (distance) C4'-P energy: -84.012
bonds (distance) P-C4' energy: -71.594
flat angles C4'-P-C4' energy: -96.572
flat angles P-C4'-P energy: -47.520
tors. eta vs tors. theta energy: -95.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -855.902327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.902327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.902327 (E_RNA)
where:
Base-Base interactions energy: -549.499
where: short stacking energy: -254.644
Base-Backbone interact. energy: -2.772
local terms energy: -303.630387
where:
bonds (distance) C4'-P energy: -65.415
bonds (distance) P-C4' energy: -76.537
flat angles C4'-P-C4' energy: -71.182
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -616.387060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.387060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.387060 (E_RNA)
where:
Base-Base interactions energy: -353.415
where: short stacking energy: -147.115
Base-Backbone interact. energy: -0.579
local terms energy: -262.393738
where:
bonds (distance) C4'-P energy: -73.798
bonds (distance) P-C4' energy: -72.536
flat angles C4'-P-C4' energy: -68.304
flat angles P-C4'-P energy: -47.879
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1850.633351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.633351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.633351 (E_RNA)
where:
Base-Base interactions energy: -1282.371
where: short stacking energy: -546.917
Base-Backbone interact. energy: -0.627
local terms energy: -567.635264
where:
bonds (distance) C4'-P energy: -108.326
bonds (distance) P-C4' energy: -105.041
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -77.831
tors. eta vs tors. theta energy: -161.355
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: 438
Temperature: 0.950000
Total energy: -1779.940746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.940746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.940746 (E_RNA)
where:
Base-Base interactions energy: -1272.825
where: short stacking energy: -541.113
Base-Backbone interact. energy: -0.869
local terms energy: -506.246942
where:
bonds (distance) C4'-P energy: -81.383
bonds (distance) P-C4' energy: -83.291
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -77.934
tors. eta vs tors. theta energy: -157.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1727.612071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.612071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.612071 (E_RNA)
where:
Base-Base interactions energy: -1208.900
where: short stacking energy: -498.850
Base-Backbone interact. energy: -0.454
local terms energy: -518.257947
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -104.897
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -147.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1672.220175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.220175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.220175 (E_RNA)
where:
Base-Base interactions energy: -1189.725
where: short stacking energy: -493.103
Base-Backbone interact. energy: -2.540
local terms energy: -479.954811
where:
bonds (distance) C4'-P energy: -84.292
bonds (distance) P-C4' energy: -90.262
flat angles C4'-P-C4' energy: -100.595
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -136.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1642.370322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.370322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.370322 (E_RNA)
where:
Base-Base interactions energy: -1168.058
where: short stacking energy: -489.940
Base-Backbone interact. energy: 0.073
local terms energy: -474.385119
where:
bonds (distance) C4'-P energy: -72.579
bonds (distance) P-C4' energy: -89.685
flat angles C4'-P-C4' energy: -104.685
flat angles P-C4'-P energy: -74.717
tors. eta vs tors. theta energy: -132.719
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1578.066878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.066878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.066878 (E_RNA)
where:
Base-Base interactions energy: -1121.246
where: short stacking energy: -470.093
Base-Backbone interact. energy: -0.177
local terms energy: -456.643337
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -84.006
flat angles C4'-P-C4' energy: -86.139
flat angles P-C4'-P energy: -73.115
tors. eta vs tors. theta energy: -126.305
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: 438
Temperature: 1.200000
Total energy: -1520.110554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.110554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.110554 (E_RNA)
where:
Base-Base interactions energy: -1071.362
where: short stacking energy: -426.035
Base-Backbone interact. energy: -3.096
local terms energy: -445.652241
where:
bonds (distance) C4'-P energy: -98.657
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -87.193
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -119.353
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: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1102.428884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.428884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.428884 (E_RNA)
where:
Base-Base interactions energy: -711.179
where: short stacking energy: -342.029
Base-Backbone interact. energy: -2.138
local terms energy: -389.112147
where:
bonds (distance) C4'-P energy: -87.443
bonds (distance) P-C4' energy: -89.010
flat angles C4'-P-C4' energy: -81.312
flat angles P-C4'-P energy: -58.898
tors. eta vs tors. theta energy: -72.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -851.298154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.298154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.298154 (E_RNA)
where:
Base-Base interactions energy: -522.872
where: short stacking energy: -225.099
Base-Backbone interact. energy: -3.501
local terms energy: -324.925148
where:
bonds (distance) C4'-P energy: -83.453
bonds (distance) P-C4' energy: -85.415
flat angles C4'-P-C4' energy: -85.699
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -29.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -707.734664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.734664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.734664 (E_RNA)
where:
Base-Base interactions energy: -398.342
where: short stacking energy: -205.489
Base-Backbone interact. energy: -0.408
local terms energy: -308.985221
where:
bonds (distance) C4'-P energy: -84.541
bonds (distance) P-C4' energy: -75.477
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -53.341
tors. eta vs tors. theta energy: -17.710
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: 439
Temperature: 0.900000
Total energy: -1827.225741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.225741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.225741 (E_RNA)
where:
Base-Base interactions energy: -1269.388
where: short stacking energy: -523.272
Base-Backbone interact. energy: -2.066
local terms energy: -555.771261
where:
bonds (distance) C4'-P energy: -90.696
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -113.546
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -159.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1755.405598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.405598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.405598 (E_RNA)
where:
Base-Base interactions energy: -1217.134
where: short stacking energy: -511.989
Base-Backbone interact. energy: -1.933
local terms energy: -536.339012
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -102.879
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -157.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1744.519300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.519300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.519300 (E_RNA)
where:
Base-Base interactions energy: -1213.350
where: short stacking energy: -498.789
Base-Backbone interact. energy: -2.518
local terms energy: -528.651062
where:
bonds (distance) C4'-P energy: -100.461
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -105.782
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -153.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1686.933094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.933094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.933094 (E_RNA)
where:
Base-Base interactions energy: -1201.840
where: short stacking energy: -480.030
Base-Backbone interact. energy: -1.806
local terms energy: -483.287299
where:
bonds (distance) C4'-P energy: -84.265
bonds (distance) P-C4' energy: -76.974
flat angles C4'-P-C4' energy: -110.093
flat angles P-C4'-P energy: -74.300
tors. eta vs tors. theta energy: -137.654
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: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1634.549063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.549063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.549063 (E_RNA)
where:
Base-Base interactions energy: -1162.515
where: short stacking energy: -481.058
Base-Backbone interact. energy: -0.867
local terms energy: -471.167231
where:
bonds (distance) C4'-P energy: -90.293
bonds (distance) P-C4' energy: -79.876
flat angles C4'-P-C4' energy: -95.053
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -137.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1593.553812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.553812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.553812 (E_RNA)
where:
Base-Base interactions energy: -1127.728
where: short stacking energy: -459.972
Base-Backbone interact. energy: -1.416
local terms energy: -464.409824
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -93.854
flat angles C4'-P-C4' energy: -97.772
flat angles P-C4'-P energy: -63.593
tors. eta vs tors. theta energy: -126.213
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: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1479.529313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.529313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.529313 (E_RNA)
where:
Base-Base interactions energy: -1031.683
where: short stacking energy: -429.526
Base-Backbone interact. energy: -1.719
local terms energy: -446.127055
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -78.730
flat angles C4'-P-C4' energy: -96.843
flat angles P-C4'-P energy: -59.522
tors. eta vs tors. theta energy: -121.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1135.690745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.690745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.690745 (E_RNA)
where:
Base-Base interactions energy: -739.792
where: short stacking energy: -319.569
Base-Backbone interact. energy: 5.208
local terms energy: -401.106582
where:
bonds (distance) C4'-P energy: -87.567
bonds (distance) P-C4' energy: -79.319
flat angles C4'-P-C4' energy: -96.501
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -80.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -835.214782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.214782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.214782 (E_RNA)
where:
Base-Base interactions energy: -525.266
where: short stacking energy: -238.928
Base-Backbone interact. energy: 1.541
local terms energy: -311.489772
where:
bonds (distance) C4'-P energy: -70.808
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -72.699
flat angles P-C4'-P energy: -47.867
tors. eta vs tors. theta energy: -28.038
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: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -731.181163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.181163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.181163 (E_RNA)
where:
Base-Base interactions energy: -434.235
where: short stacking energy: -203.880
Base-Backbone interact. energy: -2.959
local terms energy: -293.986794
where:
bonds (distance) C4'-P energy: -81.131
bonds (distance) P-C4' energy: -69.960
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1836.701690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.701690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.701690 (E_RNA)
where:
Base-Base interactions energy: -1288.316
where: short stacking energy: -532.784
Base-Backbone interact. energy: -1.065
local terms energy: -547.320432
where:
bonds (distance) C4'-P energy: -107.034
bonds (distance) P-C4' energy: -92.642
flat angles C4'-P-C4' energy: -110.158
flat angles P-C4'-P energy: -83.920
tors. eta vs tors. theta energy: -153.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1776.166964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.166964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.166964 (E_RNA)
where:
Base-Base interactions energy: -1242.875
where: short stacking energy: -522.364
Base-Backbone interact. energy: 4.199
local terms energy: -537.490819
where:
bonds (distance) C4'-P energy: -99.297
bonds (distance) P-C4' energy: -95.377
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -86.421
tors. eta vs tors. theta energy: -148.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1769.973127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.973127 (E_RNA)
where:
Base-Base interactions energy: -1243.048
where: short stacking energy: -502.547
Base-Backbone interact. energy: -2.829
local terms energy: -524.095605
where:
bonds (distance) C4'-P energy: -85.611
bonds (distance) P-C4' energy: -107.027
flat angles C4'-P-C4' energy: -108.574
flat angles P-C4'-P energy: -73.429
tors. eta vs tors. theta energy: -149.454
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: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1704.157579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.157579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.157579 (E_RNA)
where:
Base-Base interactions energy: -1202.640
where: short stacking energy: -482.036
Base-Backbone interact. energy: -3.699
local terms energy: -497.819329
where:
bonds (distance) C4'-P energy: -82.213
bonds (distance) P-C4' energy: -94.372
flat angles C4'-P-C4' energy: -100.129
flat angles P-C4'-P energy: -75.925
tors. eta vs tors. theta energy: -145.181
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1603.473257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.473257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.473257 (E_RNA)
where:
Base-Base interactions energy: -1145.464
where: short stacking energy: -480.723
Base-Backbone interact. energy: 0.258
local terms energy: -458.267542
where:
bonds (distance) C4'-P energy: -85.525
bonds (distance) P-C4' energy: -79.929
flat angles C4'-P-C4' energy: -90.470
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -142.456
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: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1626.794778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.794778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.794778 (E_RNA)
where:
Base-Base interactions energy: -1166.069
where: short stacking energy: -479.602
Base-Backbone interact. energy: -0.290
local terms energy: -460.435885
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -86.997
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: -143.339
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1460.861376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.861376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.861376 (E_RNA)
where:
Base-Base interactions energy: -1023.755
where: short stacking energy: -421.262
Base-Backbone interact. energy: -1.110
local terms energy: -435.996672
where:
bonds (distance) C4'-P energy: -84.066
bonds (distance) P-C4' energy: -81.160
flat angles C4'-P-C4' energy: -83.419
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -129.169
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: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1179.986434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.986434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.986434 (E_RNA)
where:
Base-Base interactions energy: -814.725
where: short stacking energy: -354.078
Base-Backbone interact. energy: -2.130
local terms energy: -363.131641
where:
bonds (distance) C4'-P energy: -78.479
bonds (distance) P-C4' energy: -74.394
flat angles C4'-P-C4' energy: -69.282
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -103.712
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: 440
Temperature: 1.300000
Total energy: -844.796381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.796381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.796381 (E_RNA)
where:
Base-Base interactions energy: -529.240
where: short stacking energy: -239.145
Base-Backbone interact. energy: 0.141
local terms energy: -315.697623
where:
bonds (distance) C4'-P energy: -76.861
bonds (distance) P-C4' energy: -76.016
flat angles C4'-P-C4' energy: -74.448
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -32.786
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: 440
Temperature: 1.350000
Total energy: -716.272315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.272315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.272315 (E_RNA)
where:
Base-Base interactions energy: -427.910
where: short stacking energy: -198.724
Base-Backbone interact. energy: -3.887
local terms energy: -284.475103
where:
bonds (distance) C4'-P energy: -78.427
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1828.980847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.980847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.980847 (E_RNA)
where:
Base-Base interactions energy: -1281.749
where: short stacking energy: -526.564
Base-Backbone interact. energy: 2.912
local terms energy: -550.143908
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -117.382
flat angles P-C4'-P energy: -73.399
tors. eta vs tors. theta energy: -153.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1784.850094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.850094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.850094 (E_RNA)
where:
Base-Base interactions energy: -1276.606
where: short stacking energy: -535.612
Base-Backbone interact. energy: -0.522
local terms energy: -507.722511
where:
bonds (distance) C4'-P energy: -81.389
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -106.245
flat angles P-C4'-P energy: -76.199
tors. eta vs tors. theta energy: -149.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1752.418924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.418924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.418924 (E_RNA)
where:
Base-Base interactions energy: -1254.513
where: short stacking energy: -514.430
Base-Backbone interact. energy: -1.547
local terms energy: -496.359421
where:
bonds (distance) C4'-P energy: -85.269
bonds (distance) P-C4' energy: -88.302
flat angles C4'-P-C4' energy: -99.125
flat angles P-C4'-P energy: -76.036
tors. eta vs tors. theta energy: -147.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1684.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.565976 (E_RNA)
where:
Base-Base interactions energy: -1182.305
where: short stacking energy: -493.269
Base-Backbone interact. energy: -1.590
local terms energy: -500.671514
where:
bonds (distance) C4'-P energy: -82.005
bonds (distance) P-C4' energy: -94.861
flat angles C4'-P-C4' energy: -97.217
flat angles P-C4'-P energy: -79.207
tors. eta vs tors. theta energy: -147.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1592.414878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.414878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.414878 (E_RNA)
where:
Base-Base interactions energy: -1135.701
where: short stacking energy: -471.556
Base-Backbone interact. energy: -2.713
local terms energy: -454.001344
where:
bonds (distance) C4'-P energy: -75.945
bonds (distance) P-C4' energy: -81.228
flat angles C4'-P-C4' energy: -96.082
flat angles P-C4'-P energy: -72.563
tors. eta vs tors. theta energy: -128.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1614.459133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.459133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.459133 (E_RNA)
where:
Base-Base interactions energy: -1138.500
where: short stacking energy: -462.566
Base-Backbone interact. energy: -0.005
local terms energy: -475.954140
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -99.309
flat angles P-C4'-P energy: -66.843
tors. eta vs tors. theta energy: -142.258
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: 441
Temperature: 1.200000
Total energy: -1474.177139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.177139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.177139 (E_RNA)
where:
Base-Base interactions energy: -1033.871
where: short stacking energy: -428.564
Base-Backbone interact. energy: -2.991
local terms energy: -437.314833
where:
bonds (distance) C4'-P energy: -73.209
bonds (distance) P-C4' energy: -87.394
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -66.676
tors. eta vs tors. theta energy: -122.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1179.458053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.458053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.458053 (E_RNA)
where:
Base-Base interactions energy: -783.175
where: short stacking energy: -351.705
Base-Backbone interact. energy: -1.044
local terms energy: -395.239032
where:
bonds (distance) C4'-P energy: -81.138
bonds (distance) P-C4' energy: -72.990
flat angles C4'-P-C4' energy: -95.717
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -89.945
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: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -853.013802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.013802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.013802 (E_RNA)
where:
Base-Base interactions energy: -528.914
where: short stacking energy: -249.732
Base-Backbone interact. energy: 0.663
local terms energy: -324.763044
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -87.909
flat angles C4'-P-C4' energy: -77.582
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -749.636400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.636400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.636400 (E_RNA)
where:
Base-Base interactions energy: -448.919
where: short stacking energy: -203.375
Base-Backbone interact. energy: -3.335
local terms energy: -297.382632
where:
bonds (distance) C4'-P energy: -75.840
bonds (distance) P-C4' energy: -81.903
flat angles C4'-P-C4' energy: -62.012
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1838.854803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.854803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.854803 (E_RNA)
where:
Base-Base interactions energy: -1293.333
where: short stacking energy: -536.393
Base-Backbone interact. energy: -2.267
local terms energy: -543.254938
where:
bonds (distance) C4'-P energy: -96.244
bonds (distance) P-C4' energy: -98.686
flat angles C4'-P-C4' energy: -114.701
flat angles P-C4'-P energy: -79.033
tors. eta vs tors. theta energy: -154.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1784.402492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.402492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.402492 (E_RNA)
where:
Base-Base interactions energy: -1253.016
where: short stacking energy: -514.766
Base-Backbone interact. energy: -3.919
local terms energy: -527.467102
where:
bonds (distance) C4'-P energy: -96.220
bonds (distance) P-C4' energy: -103.115
flat angles C4'-P-C4' energy: -108.984
flat angles P-C4'-P energy: -77.538
tors. eta vs tors. theta energy: -141.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1773.124426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.124426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.124426 (E_RNA)
where:
Base-Base interactions energy: -1222.730
where: short stacking energy: -503.089
Base-Backbone interact. energy: -1.330
local terms energy: -549.064115
where:
bonds (distance) C4'-P energy: -105.865
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -116.538
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -148.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1696.783512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.783512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.783512 (E_RNA)
where:
Base-Base interactions energy: -1179.159
where: short stacking energy: -484.831
Base-Backbone interact. energy: -1.415
local terms energy: -516.209837
where:
bonds (distance) C4'-P energy: -103.431
bonds (distance) P-C4' energy: -88.353
flat angles C4'-P-C4' energy: -108.338
flat angles P-C4'-P energy: -71.283
tors. eta vs tors. theta energy: -144.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1632.164563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.164563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.164563 (E_RNA)
where:
Base-Base interactions energy: -1129.059
where: short stacking energy: -501.635
Base-Backbone interact. energy: 2.563
local terms energy: -505.668601
where:
bonds (distance) C4'-P energy: -96.045
bonds (distance) P-C4' energy: -78.356
flat angles C4'-P-C4' energy: -106.553
flat angles P-C4'-P energy: -74.851
tors. eta vs tors. theta energy: -149.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1576.175332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.175332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.175332 (E_RNA)
where:
Base-Base interactions energy: -1105.575
where: short stacking energy: -442.520
Base-Backbone interact. energy: 2.316
local terms energy: -472.915996
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -87.872
flat angles C4'-P-C4' energy: -101.561
flat angles P-C4'-P energy: -61.158
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: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1520.853076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.853076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.853076 (E_RNA)
where:
Base-Base interactions energy: -1083.421
where: short stacking energy: -447.885
Base-Backbone interact. energy: -3.020
local terms energy: -434.412100
where:
bonds (distance) C4'-P energy: -68.938
bonds (distance) P-C4' energy: -81.886
flat angles C4'-P-C4' energy: -95.337
flat angles P-C4'-P energy: -66.824
tors. eta vs tors. theta energy: -121.428
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: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1202.304455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.304455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.304455 (E_RNA)
where:
Base-Base interactions energy: -806.676
where: short stacking energy: -329.374
Base-Backbone interact. energy: -2.456
local terms energy: -393.172554
where:
bonds (distance) C4'-P energy: -66.596
bonds (distance) P-C4' energy: -81.664
flat angles C4'-P-C4' energy: -91.424
flat angles P-C4'-P energy: -61.252
tors. eta vs tors. theta energy: -92.237
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: 442
Temperature: 1.300000
Total energy: -886.576913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.576913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.576913 (E_RNA)
where:
Base-Base interactions energy: -550.495
where: short stacking energy: -255.160
Base-Backbone interact. energy: 3.526
local terms energy: -339.607279
where:
bonds (distance) C4'-P energy: -88.170
bonds (distance) P-C4' energy: -75.738
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -49.080
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: 442
Temperature: 1.350000
Total energy: -694.184560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.184560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.184560 (E_RNA)
where:
Base-Base interactions energy: -405.793
where: short stacking energy: -221.749
Base-Backbone interact. energy: -1.666
local terms energy: -286.725540
where:
bonds (distance) C4'-P energy: -76.874
bonds (distance) P-C4' energy: -81.259
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1844.890972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.890972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.890972 (E_RNA)
where:
Base-Base interactions energy: -1281.599
where: short stacking energy: -535.551
Base-Backbone interact. energy: -2.072
local terms energy: -561.219982
where:
bonds (distance) C4'-P energy: -97.267
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -113.364
flat angles P-C4'-P energy: -81.852
tors. eta vs tors. theta energy: -156.177
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: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1770.324801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.324801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.324801 (E_RNA)
where:
Base-Base interactions energy: -1249.502
where: short stacking energy: -513.971
Base-Backbone interact. energy: -0.021
local terms energy: -520.802213
where:
bonds (distance) C4'-P energy: -93.670
bonds (distance) P-C4' energy: -96.901
flat angles C4'-P-C4' energy: -105.759
flat angles P-C4'-P energy: -77.498
tors. eta vs tors. theta energy: -146.974
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1775.487520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.487520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.487520 (E_RNA)
where:
Base-Base interactions energy: -1263.871
where: short stacking energy: -523.432
Base-Backbone interact. energy: -2.999
local terms energy: -508.617770
where:
bonds (distance) C4'-P energy: -86.915
bonds (distance) P-C4' energy: -84.863
flat angles C4'-P-C4' energy: -108.365
flat angles P-C4'-P energy: -69.843
tors. eta vs tors. theta energy: -158.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1685.957776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.957776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.957776 (E_RNA)
where:
Base-Base interactions energy: -1184.970
where: short stacking energy: -491.810
Base-Backbone interact. energy: -1.387
local terms energy: -499.600649
where:
bonds (distance) C4'-P energy: -84.974
bonds (distance) P-C4' energy: -84.268
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -84.017
tors. eta vs tors. theta energy: -138.271
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: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1607.993550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.993550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.993550 (E_RNA)
where:
Base-Base interactions energy: -1145.081
where: short stacking energy: -469.561
Base-Backbone interact. energy: -1.866
local terms energy: -461.047228
where:
bonds (distance) C4'-P energy: -84.027
bonds (distance) P-C4' energy: -71.746
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -138.862
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: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1607.434832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.434832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.434832 (E_RNA)
where:
Base-Base interactions energy: -1128.758
where: short stacking energy: -475.343
Base-Backbone interact. energy: 1.301
local terms energy: -479.977947
where:
bonds (distance) C4'-P energy: -84.601
bonds (distance) P-C4' energy: -87.330
flat angles C4'-P-C4' energy: -107.148
flat angles P-C4'-P energy: -73.773
tors. eta vs tors. theta energy: -127.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1564.342943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.342943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.342943 (E_RNA)
where:
Base-Base interactions energy: -1093.567
where: short stacking energy: -450.587
Base-Backbone interact. energy: -1.168
local terms energy: -469.607628
where:
bonds (distance) C4'-P energy: -85.720
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -98.746
flat angles P-C4'-P energy: -64.202
tors. eta vs tors. theta energy: -132.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1200.289935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.289935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.289935 (E_RNA)
where:
Base-Base interactions energy: -775.751
where: short stacking energy: -342.834
Base-Backbone interact. energy: -2.178
local terms energy: -422.360759
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -93.753
flat angles C4'-P-C4' energy: -97.214
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -90.604
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: 443
Temperature: 1.300000
Total energy: -881.866918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.866918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.866918 (E_RNA)
where:
Base-Base interactions energy: -541.550
where: short stacking energy: -258.286
Base-Backbone interact. energy: 6.420
local terms energy: -346.737244
where:
bonds (distance) C4'-P energy: -82.201
bonds (distance) P-C4' energy: -77.317
flat angles C4'-P-C4' energy: -85.066
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: -44.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -713.756247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.756247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.756247 (E_RNA)
where:
Base-Base interactions energy: -415.670
where: short stacking energy: -207.433
Base-Backbone interact. energy: -3.818
local terms energy: -294.268174
where:
bonds (distance) C4'-P energy: -79.098
bonds (distance) P-C4' energy: -86.815
flat angles C4'-P-C4' energy: -66.445
flat angles P-C4'-P energy: -48.202
tors. eta vs tors. theta energy: -13.709
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1830.853721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.853721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.853721 (E_RNA)
where:
Base-Base interactions energy: -1282.724
where: short stacking energy: -541.600
Base-Backbone interact. energy: -1.437
local terms energy: -546.693266
where:
bonds (distance) C4'-P energy: -105.162
bonds (distance) P-C4' energy: -96.952
flat angles C4'-P-C4' energy: -117.906
flat angles P-C4'-P energy: -75.867
tors. eta vs tors. theta energy: -150.806
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: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1754.016411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.016411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.016411 (E_RNA)
where:
Base-Base interactions energy: -1223.199
where: short stacking energy: -509.760
Base-Backbone interact. energy: -2.780
local terms energy: -528.037515
where:
bonds (distance) C4'-P energy: -104.437
bonds (distance) P-C4' energy: -94.393
flat angles C4'-P-C4' energy: -107.365
flat angles P-C4'-P energy: -74.653
tors. eta vs tors. theta energy: -147.189
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: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1747.666301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.666301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.666301 (E_RNA)
where:
Base-Base interactions energy: -1229.916
where: short stacking energy: -505.396
Base-Backbone interact. energy: 0.039
local terms energy: -517.788794
where:
bonds (distance) C4'-P energy: -84.110
bonds (distance) P-C4' energy: -91.448
flat angles C4'-P-C4' energy: -120.484
flat angles P-C4'-P energy: -76.104
tors. eta vs tors. theta energy: -145.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1679.279151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.279151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.279151 (E_RNA)
where:
Base-Base interactions energy: -1207.141
where: short stacking energy: -486.611
Base-Backbone interact. energy: -1.155
local terms energy: -470.983355
where:
bonds (distance) C4'-P energy: -82.356
bonds (distance) P-C4' energy: -79.683
flat angles C4'-P-C4' energy: -100.684
flat angles P-C4'-P energy: -73.702
tors. eta vs tors. theta energy: -134.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1614.410385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.410385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.410385 (E_RNA)
where:
Base-Base interactions energy: -1152.328
where: short stacking energy: -460.774
Base-Backbone interact. energy: 2.319
local terms energy: -464.401255
where:
bonds (distance) C4'-P energy: -95.803
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -90.833
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -135.190
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: 444
Temperature: 1.150000
Total energy: -1576.474211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.474211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.474211 (E_RNA)
where:
Base-Base interactions energy: -1124.893
where: short stacking energy: -465.431
Base-Backbone interact. energy: -1.445
local terms energy: -450.136177
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -95.214
flat angles C4'-P-C4' energy: -99.479
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -131.647
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1568.676688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.676688 (E_RNA)
where:
Base-Base interactions energy: -1117.478
where: short stacking energy: -457.582
Base-Backbone interact. energy: -1.648
local terms energy: -449.551054
where:
bonds (distance) C4'-P energy: -80.422
bonds (distance) P-C4' energy: -75.187
flat angles C4'-P-C4' energy: -99.739
flat angles P-C4'-P energy: -67.990
tors. eta vs tors. theta energy: -126.213
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: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1121.614212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.614212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.614212 (E_RNA)
where:
Base-Base interactions energy: -749.799
where: short stacking energy: -322.840
Base-Backbone interact. energy: 0.375
local terms energy: -372.189720
where:
bonds (distance) C4'-P energy: -66.133
bonds (distance) P-C4' energy: -70.805
flat angles C4'-P-C4' energy: -80.618
flat angles P-C4'-P energy: -68.324
tors. eta vs tors. theta energy: -86.310
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: 444
Temperature: 1.300000
Total energy: -881.590100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.590100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.590100 (E_RNA)
where:
Base-Base interactions energy: -567.305
where: short stacking energy: -272.381
Base-Backbone interact. energy: -1.817
local terms energy: -312.468337
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -73.919
flat angles C4'-P-C4' energy: -83.092
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -41.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -668.890417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.890417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.890417 (E_RNA)
where:
Base-Base interactions energy: -371.855
where: short stacking energy: -179.045
Base-Backbone interact. energy: -0.484
local terms energy: -296.551647
where:
bonds (distance) C4'-P energy: -77.550
bonds (distance) P-C4' energy: -77.397
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1823.926435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.926435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.926435 (E_RNA)
where:
Base-Base interactions energy: -1279.201
where: short stacking energy: -521.641
Base-Backbone interact. energy: -2.865
local terms energy: -541.860146
where:
bonds (distance) C4'-P energy: -98.573
bonds (distance) P-C4' energy: -105.638
flat angles C4'-P-C4' energy: -108.631
flat angles P-C4'-P energy: -77.740
tors. eta vs tors. theta energy: -151.278
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: 445
Temperature: 0.950000
Total energy: -1791.834098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.834098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.834098 (E_RNA)
where:
Base-Base interactions energy: -1270.182
where: short stacking energy: -512.770
Base-Backbone interact. energy: 0.609
local terms energy: -522.261226
where:
bonds (distance) C4'-P energy: -89.046
bonds (distance) P-C4' energy: -86.636
flat angles C4'-P-C4' energy: -111.111
flat angles P-C4'-P energy: -83.162
tors. eta vs tors. theta energy: -152.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1749.004611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.004611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.004611 (E_RNA)
where:
Base-Base interactions energy: -1236.438
where: short stacking energy: -517.280
Base-Backbone interact. energy: -2.804
local terms energy: -509.761919
where:
bonds (distance) C4'-P energy: -87.654
bonds (distance) P-C4' energy: -87.830
flat angles C4'-P-C4' energy: -111.541
flat angles P-C4'-P energy: -75.902
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: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1681.831491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.831491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.831491 (E_RNA)
where:
Base-Base interactions energy: -1188.834
where: short stacking energy: -489.210
Base-Backbone interact. energy: -0.989
local terms energy: -492.008535
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -95.855
flat angles C4'-P-C4' energy: -89.908
flat angles P-C4'-P energy: -78.170
tors. eta vs tors. theta energy: -146.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1660.788059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.788059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.788059 (E_RNA)
where:
Base-Base interactions energy: -1197.288
where: short stacking energy: -493.343
Base-Backbone interact. energy: -1.060
local terms energy: -462.440258
where:
bonds (distance) C4'-P energy: -72.537
bonds (distance) P-C4' energy: -95.509
flat angles C4'-P-C4' energy: -105.040
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -132.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1593.885609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.885609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.885609 (E_RNA)
where:
Base-Base interactions energy: -1124.931
where: short stacking energy: -441.455
Base-Backbone interact. energy: -0.761
local terms energy: -468.193381
where:
bonds (distance) C4'-P energy: -94.418
bonds (distance) P-C4' energy: -76.263
flat angles C4'-P-C4' energy: -101.635
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -131.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1526.577664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.577664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.577664 (E_RNA)
where:
Base-Base interactions energy: -1092.962
where: short stacking energy: -435.178
Base-Backbone interact. energy: -1.821
local terms energy: -431.795037
where:
bonds (distance) C4'-P energy: -79.192
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -86.596
flat angles P-C4'-P energy: -59.735
tors. eta vs tors. theta energy: -125.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1096.604114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.604114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.604114 (E_RNA)
where:
Base-Base interactions energy: -721.248
where: short stacking energy: -325.010
Base-Backbone interact. energy: -1.684
local terms energy: -373.671636
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -75.647
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -78.159
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: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -895.236144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.236144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.236144 (E_RNA)
where:
Base-Base interactions energy: -546.532
where: short stacking energy: -257.515
Base-Backbone interact. energy: -1.621
local terms energy: -347.083000
where:
bonds (distance) C4'-P energy: -86.237
bonds (distance) P-C4' energy: -70.767
flat angles C4'-P-C4' energy: -87.873
flat angles P-C4'-P energy: -62.424
tors. eta vs tors. theta energy: -39.782
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: 445
Temperature: 1.350000
Total energy: -642.198723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.198723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.198723 (E_RNA)
where:
Base-Base interactions energy: -364.671
where: short stacking energy: -187.167
Base-Backbone interact. energy: 1.525
local terms energy: -279.052737
where:
bonds (distance) C4'-P energy: -84.078
bonds (distance) P-C4' energy: -81.255
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1829.299663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.299663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.299663 (E_RNA)
where:
Base-Base interactions energy: -1277.043
where: short stacking energy: -529.737
Base-Backbone interact. energy: -4.689
local terms energy: -547.567630
where:
bonds (distance) C4'-P energy: -99.682
bonds (distance) P-C4' energy: -92.235
flat angles C4'-P-C4' energy: -123.790
flat angles P-C4'-P energy: -84.627
tors. eta vs tors. theta energy: -147.233
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: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1792.060172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.060172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.060172 (E_RNA)
where:
Base-Base interactions energy: -1263.286
where: short stacking energy: -525.041
Base-Backbone interact. energy: -1.330
local terms energy: -527.443705
where:
bonds (distance) C4'-P energy: -84.488
bonds (distance) P-C4' energy: -101.724
flat angles C4'-P-C4' energy: -108.004
flat angles P-C4'-P energy: -81.204
tors. eta vs tors. theta energy: -152.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1725.050506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.050506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.050506 (E_RNA)
where:
Base-Base interactions energy: -1236.902
where: short stacking energy: -503.311
Base-Backbone interact. energy: -0.904
local terms energy: -487.244401
where:
bonds (distance) C4'-P energy: -83.922
bonds (distance) P-C4' energy: -82.103
flat angles C4'-P-C4' energy: -113.811
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -140.900
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: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1693.748894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.748894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.748894 (E_RNA)
where:
Base-Base interactions energy: -1205.902
where: short stacking energy: -497.621
Base-Backbone interact. energy: -1.200
local terms energy: -486.646545
where:
bonds (distance) C4'-P energy: -82.128
bonds (distance) P-C4' energy: -85.994
flat angles C4'-P-C4' energy: -106.568
flat angles P-C4'-P energy: -75.896
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1632.217516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.217516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.217516 (E_RNA)
where:
Base-Base interactions energy: -1160.104
where: short stacking energy: -483.280
Base-Backbone interact. energy: -2.279
local terms energy: -469.833632
where:
bonds (distance) C4'-P energy: -86.615
bonds (distance) P-C4' energy: -77.502
flat angles C4'-P-C4' energy: -109.158
flat angles P-C4'-P energy: -61.256
tors. eta vs tors. theta energy: -135.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1609.919043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.919043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.919043 (E_RNA)
where:
Base-Base interactions energy: -1137.167
where: short stacking energy: -479.220
Base-Backbone interact. energy: -0.999
local terms energy: -471.752297
where:
bonds (distance) C4'-P energy: -68.795
bonds (distance) P-C4' energy: -90.785
flat angles C4'-P-C4' energy: -94.920
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -145.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1564.165256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.165256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.165256 (E_RNA)
where:
Base-Base interactions energy: -1120.452
where: short stacking energy: -436.012
Base-Backbone interact. energy: 3.862
local terms energy: -447.575309
where:
bonds (distance) C4'-P energy: -78.984
bonds (distance) P-C4' energy: -70.022
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -131.388
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: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1056.020131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.020131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.020131 (E_RNA)
where:
Base-Base interactions energy: -680.758
where: short stacking energy: -306.090
Base-Backbone interact. energy: -0.217
local terms energy: -375.044178
where:
bonds (distance) C4'-P energy: -76.760
bonds (distance) P-C4' energy: -83.698
flat angles C4'-P-C4' energy: -93.379
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -71.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -887.091243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.091243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.091243 (E_RNA)
where:
Base-Base interactions energy: -562.861
where: short stacking energy: -243.473
Base-Backbone interact. energy: 0.480
local terms energy: -324.709462
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -90.967
flat angles P-C4'-P energy: -53.935
tors. eta vs tors. theta energy: -38.947
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: 446
Temperature: 1.350000
Total energy: -693.084056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.084056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.084056 (E_RNA)
where:
Base-Base interactions energy: -397.261
where: short stacking energy: -214.726
Base-Backbone interact. energy: 7.327
local terms energy: -303.150438
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -92.778
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1828.229472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.229472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.229472 (E_RNA)
where:
Base-Base interactions energy: -1303.286
where: short stacking energy: -550.945
Base-Backbone interact. energy: 1.391
local terms energy: -526.334121
where:
bonds (distance) C4'-P energy: -86.347
bonds (distance) P-C4' energy: -87.910
flat angles C4'-P-C4' energy: -111.441
flat angles P-C4'-P energy: -86.025
tors. eta vs tors. theta energy: -154.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1791.249184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.249184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.249184 (E_RNA)
where:
Base-Base interactions energy: -1267.387
where: short stacking energy: -538.978
Base-Backbone interact. energy: -1.374
local terms energy: -522.488131
where:
bonds (distance) C4'-P energy: -90.144
bonds (distance) P-C4' energy: -100.015
flat angles C4'-P-C4' energy: -109.931
flat angles P-C4'-P energy: -70.991
tors. eta vs tors. theta energy: -151.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1749.383921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.383921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.383921 (E_RNA)
where:
Base-Base interactions energy: -1235.133
where: short stacking energy: -512.864
Base-Backbone interact. energy: -0.774
local terms energy: -513.477464
where:
bonds (distance) C4'-P energy: -91.774
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -106.560
flat angles P-C4'-P energy: -64.838
tors. eta vs tors. theta energy: -149.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1700.829650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.829650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.829650 (E_RNA)
where:
Base-Base interactions energy: -1214.391
where: short stacking energy: -488.982
Base-Backbone interact. energy: -2.286
local terms energy: -484.152519
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -84.603
flat angles C4'-P-C4' energy: -103.898
flat angles P-C4'-P energy: -73.333
tors. eta vs tors. theta energy: -129.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1632.964690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.964690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.964690 (E_RNA)
where:
Base-Base interactions energy: -1141.353
where: short stacking energy: -481.110
Base-Backbone interact. energy: -5.603
local terms energy: -486.008305
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -89.401
flat angles C4'-P-C4' energy: -107.107
flat angles P-C4'-P energy: -70.097
tors. eta vs tors. theta energy: -141.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1623.979984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.979984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.979984 (E_RNA)
where:
Base-Base interactions energy: -1146.713
where: short stacking energy: -455.553
Base-Backbone interact. energy: -2.350
local terms energy: -474.916319
where:
bonds (distance) C4'-P energy: -94.304
bonds (distance) P-C4' energy: -86.121
flat angles C4'-P-C4' energy: -95.047
flat angles P-C4'-P energy: -66.951
tors. eta vs tors. theta energy: -132.493
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: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1512.287423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.287423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.287423 (E_RNA)
where:
Base-Base interactions energy: -1096.042
where: short stacking energy: -449.340
Base-Backbone interact. energy: 1.573
local terms energy: -417.817828
where:
bonds (distance) C4'-P energy: -71.747
bonds (distance) P-C4' energy: -80.140
flat angles C4'-P-C4' energy: -92.403
flat angles P-C4'-P energy: -61.943
tors. eta vs tors. theta energy: -111.584
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: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1046.488378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.488378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.488378 (E_RNA)
where:
Base-Base interactions energy: -687.448
where: short stacking energy: -287.584
Base-Backbone interact. energy: -1.230
local terms energy: -357.810190
where:
bonds (distance) C4'-P energy: -84.550
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -86.414
flat angles P-C4'-P energy: -58.878
tors. eta vs tors. theta energy: -49.658
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: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -922.788346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.788346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.788346 (E_RNA)
where:
Base-Base interactions energy: -597.586
where: short stacking energy: -258.721
Base-Backbone interact. energy: -1.431
local terms energy: -323.771295
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -64.752
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -52.087
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: 447
Temperature: 1.350000
Total energy: -717.104400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.104400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.104400 (E_RNA)
where:
Base-Base interactions energy: -417.621
where: short stacking energy: -197.185
Base-Backbone interact. energy: 1.919
local terms energy: -301.402370
where:
bonds (distance) C4'-P energy: -80.418
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -59.847
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1816.272202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.272202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.272202 (E_RNA)
where:
Base-Base interactions energy: -1292.057
where: short stacking energy: -531.618
Base-Backbone interact. energy: -1.584
local terms energy: -522.631531
where:
bonds (distance) C4'-P energy: -89.580
bonds (distance) P-C4' energy: -90.229
flat angles C4'-P-C4' energy: -111.534
flat angles P-C4'-P energy: -75.939
tors. eta vs tors. theta energy: -155.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1783.818463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.818463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.818463 (E_RNA)
where:
Base-Base interactions energy: -1244.546
where: short stacking energy: -512.590
Base-Backbone interact. energy: -2.879
local terms energy: -536.393402
where:
bonds (distance) C4'-P energy: -93.876
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -108.038
flat angles P-C4'-P energy: -75.176
tors. eta vs tors. theta energy: -155.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1762.562786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.562786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.562786 (E_RNA)
where:
Base-Base interactions energy: -1231.082
where: short stacking energy: -531.499
Base-Backbone interact. energy: -1.906
local terms energy: -529.575253
where:
bonds (distance) C4'-P energy: -94.631
bonds (distance) P-C4' energy: -95.572
flat angles C4'-P-C4' energy: -109.049
flat angles P-C4'-P energy: -77.149
tors. eta vs tors. theta energy: -153.173
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: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1683.018830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.018830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.018830 (E_RNA)
where:
Base-Base interactions energy: -1185.811
where: short stacking energy: -482.898
Base-Backbone interact. energy: -0.851
local terms energy: -496.356617
where:
bonds (distance) C4'-P energy: -85.882
bonds (distance) P-C4' energy: -100.113
flat angles C4'-P-C4' energy: -100.709
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -129.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1638.846241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.846241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.846241 (E_RNA)
where:
Base-Base interactions energy: -1145.836
where: short stacking energy: -490.120
Base-Backbone interact. energy: -0.981
local terms energy: -492.029388
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -90.514
flat angles C4'-P-C4' energy: -110.243
flat angles P-C4'-P energy: -63.275
tors. eta vs tors. theta energy: -145.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1588.831879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.831879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.831879 (E_RNA)
where:
Base-Base interactions energy: -1122.215
where: short stacking energy: -444.942
Base-Backbone interact. energy: -2.502
local terms energy: -464.114076
where:
bonds (distance) C4'-P energy: -85.485
bonds (distance) P-C4' energy: -87.588
flat angles C4'-P-C4' energy: -98.757
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: -131.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1503.793581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.793581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.793581 (E_RNA)
where:
Base-Base interactions energy: -1074.319
where: short stacking energy: -419.182
Base-Backbone interact. energy: -0.754
local terms energy: -428.720708
where:
bonds (distance) C4'-P energy: -84.737
bonds (distance) P-C4' energy: -84.356
flat angles C4'-P-C4' energy: -97.344
flat angles P-C4'-P energy: -56.255
tors. eta vs tors. theta energy: -106.029
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: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1059.463540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.463540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.463540 (E_RNA)
where:
Base-Base interactions energy: -702.012
where: short stacking energy: -323.735
Base-Backbone interact. energy: 0.643
local terms energy: -358.093869
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -84.668
flat angles P-C4'-P energy: -64.465
tors. eta vs tors. theta energy: -68.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -976.847234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.847234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.847234 (E_RNA)
where:
Base-Base interactions energy: -621.974
where: short stacking energy: -272.448
Base-Backbone interact. energy: -3.107
local terms energy: -351.766361
where:
bonds (distance) C4'-P energy: -76.103
bonds (distance) P-C4' energy: -85.119
flat angles C4'-P-C4' energy: -80.977
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -59.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -783.442446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.442446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.442446 (E_RNA)
where:
Base-Base interactions energy: -496.662
where: short stacking energy: -226.805
Base-Backbone interact. energy: 4.074
local terms energy: -290.854412
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -79.419
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -26.908
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: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1821.047040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.047040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.047040 (E_RNA)
where:
Base-Base interactions energy: -1293.810
where: short stacking energy: -524.565
Base-Backbone interact. energy: -1.246
local terms energy: -525.991461
where:
bonds (distance) C4'-P energy: -88.914
bonds (distance) P-C4' energy: -98.459
flat angles C4'-P-C4' energy: -117.933
flat angles P-C4'-P energy: -74.287
tors. eta vs tors. theta energy: -146.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1768.244165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.244165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.244165 (E_RNA)
where:
Base-Base interactions energy: -1248.020
where: short stacking energy: -505.224
Base-Backbone interact. energy: -1.694
local terms energy: -518.529982
where:
bonds (distance) C4'-P energy: -100.119
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -103.135
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -143.738
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: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1757.811033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.811033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.811033 (E_RNA)
where:
Base-Base interactions energy: -1233.959
where: short stacking energy: -499.779
Base-Backbone interact. energy: -0.768
local terms energy: -523.084230
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -91.751
flat angles C4'-P-C4' energy: -113.955
flat angles P-C4'-P energy: -75.125
tors. eta vs tors. theta energy: -155.008
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: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1661.239311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.239311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.239311 (E_RNA)
where:
Base-Base interactions energy: -1182.693
where: short stacking energy: -495.818
Base-Backbone interact. energy: -1.873
local terms energy: -476.674172
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -87.410
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -74.185
tors. eta vs tors. theta energy: -131.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1631.165773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.165773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.165773 (E_RNA)
where:
Base-Base interactions energy: -1167.228
where: short stacking energy: -476.941
Base-Backbone interact. energy: -1.688
local terms energy: -462.250471
where:
bonds (distance) C4'-P energy: -83.811
bonds (distance) P-C4' energy: -77.427
flat angles C4'-P-C4' energy: -99.039
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -130.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1581.134791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.134791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.134791 (E_RNA)
where:
Base-Base interactions energy: -1122.422
where: short stacking energy: -452.113
Base-Backbone interact. energy: -0.586
local terms energy: -458.127091
where:
bonds (distance) C4'-P energy: -70.967
bonds (distance) P-C4' energy: -93.191
flat angles C4'-P-C4' energy: -100.980
flat angles P-C4'-P energy: -60.684
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: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1496.548426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.548426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.548426 (E_RNA)
where:
Base-Base interactions energy: -1061.031
where: short stacking energy: -420.415
Base-Backbone interact. energy: -1.129
local terms energy: -434.387949
where:
bonds (distance) C4'-P energy: -75.491
bonds (distance) P-C4' energy: -91.514
flat angles C4'-P-C4' energy: -97.489
flat angles P-C4'-P energy: -61.929
tors. eta vs tors. theta energy: -107.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1107.392275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.392275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.392275 (E_RNA)
where:
Base-Base interactions energy: -746.946
where: short stacking energy: -337.305
Base-Backbone interact. energy: -1.378
local terms energy: -359.068193
where:
bonds (distance) C4'-P energy: -77.905
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -81.902
flat angles P-C4'-P energy: -52.747
tors. eta vs tors. theta energy: -73.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -968.965255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.965255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.965255 (E_RNA)
where:
Base-Base interactions energy: -626.088
where: short stacking energy: -280.095
Base-Backbone interact. energy: -1.854
local terms energy: -341.023390
where:
bonds (distance) C4'-P energy: -75.336
bonds (distance) P-C4' energy: -87.881
flat angles C4'-P-C4' energy: -68.953
flat angles P-C4'-P energy: -55.908
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -750.808197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.808197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.808197 (E_RNA)
where:
Base-Base interactions energy: -432.881
where: short stacking energy: -199.375
Base-Backbone interact. energy: -0.782
local terms energy: -317.145549
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -75.654
flat angles C4'-P-C4' energy: -71.120
flat angles P-C4'-P energy: -53.615
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1827.751688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.751688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.751688 (E_RNA)
where:
Base-Base interactions energy: -1286.873
where: short stacking energy: -518.538
Base-Backbone interact. energy: 0.505
local terms energy: -541.383270
where:
bonds (distance) C4'-P energy: -94.477
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -114.532
flat angles P-C4'-P energy: -78.685
tors. eta vs tors. theta energy: -144.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1810.044009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.044009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.044009 (E_RNA)
where:
Base-Base interactions energy: -1276.175
where: short stacking energy: -537.725
Base-Backbone interact. energy: -4.299
local terms energy: -529.570276
where:
bonds (distance) C4'-P energy: -89.201
bonds (distance) P-C4' energy: -92.081
flat angles C4'-P-C4' energy: -117.184
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -153.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1750.425340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.425340 (E_RNA)
where:
Base-Base interactions energy: -1242.408
where: short stacking energy: -535.827
Base-Backbone interact. energy: -1.732
local terms energy: -506.284849
where:
bonds (distance) C4'-P energy: -95.617
bonds (distance) P-C4' energy: -84.180
flat angles C4'-P-C4' energy: -114.515
flat angles P-C4'-P energy: -62.057
tors. eta vs tors. theta energy: -149.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1702.803479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.803479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.803479 (E_RNA)
where:
Base-Base interactions energy: -1191.407
where: short stacking energy: -478.135
Base-Backbone interact. energy: -2.682
local terms energy: -508.714710
where:
bonds (distance) C4'-P energy: -89.860
bonds (distance) P-C4' energy: -102.259
flat angles C4'-P-C4' energy: -102.446
flat angles P-C4'-P energy: -73.439
tors. eta vs tors. theta energy: -140.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1626.726153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.726153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.726153 (E_RNA)
where:
Base-Base interactions energy: -1134.909
where: short stacking energy: -484.523
Base-Backbone interact. energy: -1.559
local terms energy: -490.258274
where:
bonds (distance) C4'-P energy: -89.899
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -100.525
flat angles P-C4'-P energy: -62.402
tors. eta vs tors. theta energy: -142.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1607.085930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.085930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.085930 (E_RNA)
where:
Base-Base interactions energy: -1144.419
where: short stacking energy: -466.763
Base-Backbone interact. energy: -1.391
local terms energy: -461.275653
where:
bonds (distance) C4'-P energy: -83.480
bonds (distance) P-C4' energy: -88.816
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -136.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1509.806950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.806950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.806950 (E_RNA)
where:
Base-Base interactions energy: -1100.615
where: short stacking energy: -430.032
Base-Backbone interact. energy: 1.888
local terms energy: -411.079079
where:
bonds (distance) C4'-P energy: -48.202
bonds (distance) P-C4' energy: -81.333
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: -114.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1095.121692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.121692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.121692 (E_RNA)
where:
Base-Base interactions energy: -715.617
where: short stacking energy: -342.163
Base-Backbone interact. energy: -0.614
local terms energy: -378.890798
where:
bonds (distance) C4'-P energy: -91.963
bonds (distance) P-C4' energy: -78.579
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -77.256
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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -976.063259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.063259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.063259 (E_RNA)
where:
Base-Base interactions energy: -624.510
where: short stacking energy: -270.923
Base-Backbone interact. energy: -4.208
local terms energy: -347.344812
where:
bonds (distance) C4'-P energy: -76.992
bonds (distance) P-C4' energy: -89.062
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: -50.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -792.633167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.633167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.633167 (E_RNA)
where:
Base-Base interactions energy: -481.295
where: short stacking energy: -218.448
Base-Backbone interact. energy: 0.520
local terms energy: -311.857484
where:
bonds (distance) C4'-P energy: -69.492
bonds (distance) P-C4' energy: -75.844
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1817.042397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.042397 (E_RNA)
where:
Base-Base interactions energy: -1275.426
where: short stacking energy: -531.802
Base-Backbone interact. energy: -2.071
local terms energy: -539.545449
where:
bonds (distance) C4'-P energy: -99.783
bonds (distance) P-C4' energy: -101.592
flat angles C4'-P-C4' energy: -115.009
flat angles P-C4'-P energy: -76.696
tors. eta vs tors. theta energy: -146.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1760.079776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.079776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.079776 (E_RNA)
where:
Base-Base interactions energy: -1244.857
where: short stacking energy: -507.473
Base-Backbone interact. energy: -0.422
local terms energy: -514.801110
where:
bonds (distance) C4'-P energy: -97.904
bonds (distance) P-C4' energy: -85.736
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -82.433
tors. eta vs tors. theta energy: -140.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1740.791456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.791456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.791456 (E_RNA)
where:
Base-Base interactions energy: -1219.614
where: short stacking energy: -520.726
Base-Backbone interact. energy: -3.087
local terms energy: -518.090796
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -96.541
flat angles C4'-P-C4' energy: -108.951
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -149.441
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1680.393193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.393193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.393193 (E_RNA)
where:
Base-Base interactions energy: -1190.288
where: short stacking energy: -468.775
Base-Backbone interact. energy: 3.115
local terms energy: -493.219923
where:
bonds (distance) C4'-P energy: -82.307
bonds (distance) P-C4' energy: -89.675
flat angles C4'-P-C4' energy: -114.475
flat angles P-C4'-P energy: -78.539
tors. eta vs tors. theta energy: -128.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1587.890663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.890663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.890663 (E_RNA)
where:
Base-Base interactions energy: -1118.311
where: short stacking energy: -472.468
Base-Backbone interact. energy: -1.830
local terms energy: -467.750231
where:
bonds (distance) C4'-P energy: -80.616
bonds (distance) P-C4' energy: -81.639
flat angles C4'-P-C4' energy: -114.870
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -131.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1598.449906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.449906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.449906 (E_RNA)
where:
Base-Base interactions energy: -1108.684
where: short stacking energy: -446.912
Base-Backbone interact. energy: -1.127
local terms energy: -488.638465
where:
bonds (distance) C4'-P energy: -76.331
bonds (distance) P-C4' energy: -98.686
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -137.733
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1503.825716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.825716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.825716 (E_RNA)
where:
Base-Base interactions energy: -1081.215
where: short stacking energy: -420.367
Base-Backbone interact. energy: -2.129
local terms energy: -420.481786
where:
bonds (distance) C4'-P energy: -71.983
bonds (distance) P-C4' energy: -81.308
flat angles C4'-P-C4' energy: -108.229
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -114.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1094.523404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.523404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.523404 (E_RNA)
where:
Base-Base interactions energy: -698.738
where: short stacking energy: -326.588
Base-Backbone interact. energy: 2.070
local terms energy: -397.855118
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -88.981
flat angles C4'-P-C4' energy: -91.105
flat angles P-C4'-P energy: -56.425
tors. eta vs tors. theta energy: -86.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1066.441616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.441616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.441616 (E_RNA)
where:
Base-Base interactions energy: -702.841
where: short stacking energy: -311.042
Base-Backbone interact. energy: 5.708
local terms energy: -369.308268
where:
bonds (distance) C4'-P energy: -79.072
bonds (distance) P-C4' energy: -91.494
flat angles C4'-P-C4' energy: -71.962
flat angles P-C4'-P energy: -54.624
tors. eta vs tors. theta energy: -72.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -786.382216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.382216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.382216 (E_RNA)
where:
Base-Base interactions energy: -470.979
where: short stacking energy: -214.049
Base-Backbone interact. energy: -1.426
local terms energy: -313.977854
where:
bonds (distance) C4'-P energy: -84.753
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -69.723
flat angles P-C4'-P energy: -55.477
tors. eta vs tors. theta energy: -28.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1816.439352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.439352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.439352 (E_RNA)
where:
Base-Base interactions energy: -1279.537
where: short stacking energy: -517.195
Base-Backbone interact. energy: 0.067
local terms energy: -536.969268
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -108.276
flat angles P-C4'-P energy: -77.980
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1786.665308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.665308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.665308 (E_RNA)
where:
Base-Base interactions energy: -1262.409
where: short stacking energy: -529.945
Base-Backbone interact. energy: -0.797
local terms energy: -523.459774
where:
bonds (distance) C4'-P energy: -84.135
bonds (distance) P-C4' energy: -98.804
flat angles C4'-P-C4' energy: -118.715
flat angles P-C4'-P energy: -72.498
tors. eta vs tors. theta energy: -149.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1751.470529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.470529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.470529 (E_RNA)
where:
Base-Base interactions energy: -1221.617
where: short stacking energy: -511.779
Base-Backbone interact. energy: -1.799
local terms energy: -528.054820
where:
bonds (distance) C4'-P energy: -91.666
bonds (distance) P-C4' energy: -104.344
flat angles C4'-P-C4' energy: -110.518
flat angles P-C4'-P energy: -60.247
tors. eta vs tors. theta energy: -161.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1666.511944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.511944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.511944 (E_RNA)
where:
Base-Base interactions energy: -1164.085
where: short stacking energy: -479.425
Base-Backbone interact. energy: -0.065
local terms energy: -502.361552
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -103.718
flat angles P-C4'-P energy: -74.351
tors. eta vs tors. theta energy: -139.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1575.577035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.577035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.577035 (E_RNA)
where:
Base-Base interactions energy: -1106.197
where: short stacking energy: -455.182
Base-Backbone interact. energy: 0.304
local terms energy: -469.683282
where:
bonds (distance) C4'-P energy: -90.483
bonds (distance) P-C4' energy: -89.790
flat angles C4'-P-C4' energy: -104.358
flat angles P-C4'-P energy: -68.341
tors. eta vs tors. theta energy: -116.711
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: 452
Temperature: 1.150000
Total energy: -1586.170297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.170297 (E_RNA)
where:
Base-Base interactions energy: -1144.723
where: short stacking energy: -462.670
Base-Backbone interact. energy: -0.231
local terms energy: -441.215952
where:
bonds (distance) C4'-P energy: -74.924
bonds (distance) P-C4' energy: -78.220
flat angles C4'-P-C4' energy: -95.190
flat angles P-C4'-P energy: -65.553
tors. eta vs tors. theta energy: -127.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1546.304326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.304326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.304326 (E_RNA)
where:
Base-Base interactions energy: -1082.733
where: short stacking energy: -457.983
Base-Backbone interact. energy: -0.798
local terms energy: -462.773070
where:
bonds (distance) C4'-P energy: -79.055
bonds (distance) P-C4' energy: -92.574
flat angles C4'-P-C4' energy: -100.533
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -120.330
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: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1113.952756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.952756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.952756 (E_RNA)
where:
Base-Base interactions energy: -710.770
where: short stacking energy: -341.093
Base-Backbone interact. energy: -1.358
local terms energy: -401.824380
where:
bonds (distance) C4'-P energy: -82.296
bonds (distance) P-C4' energy: -66.803
flat angles C4'-P-C4' energy: -96.595
flat angles P-C4'-P energy: -61.656
tors. eta vs tors. theta energy: -94.474
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: 452
Temperature: 1.300000
Total energy: -1076.496036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.496036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.496036 (E_RNA)
where:
Base-Base interactions energy: -688.409
where: short stacking energy: -294.955
Base-Backbone interact. energy: -0.988
local terms energy: -387.099593
where:
bonds (distance) C4'-P energy: -99.430
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -57.902
tors. eta vs tors. theta energy: -68.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -770.572075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.572075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.572075 (E_RNA)
where:
Base-Base interactions energy: -481.851
where: short stacking energy: -238.952
Base-Backbone interact. energy: 2.680
local terms energy: -291.401388
where:
bonds (distance) C4'-P energy: -79.229
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -32.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1824.989516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.989516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.989516 (E_RNA)
where:
Base-Base interactions energy: -1260.292
where: short stacking energy: -543.638
Base-Backbone interact. energy: -2.938
local terms energy: -561.759162
where:
bonds (distance) C4'-P energy: -99.418
bonds (distance) P-C4' energy: -111.321
flat angles C4'-P-C4' energy: -109.986
flat angles P-C4'-P energy: -85.415
tors. eta vs tors. theta energy: -155.620
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: 453
Temperature: 0.950000
Total energy: -1788.993690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.993690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.993690 (E_RNA)
where:
Base-Base interactions energy: -1253.229
where: short stacking energy: -528.627
Base-Backbone interact. energy: -0.694
local terms energy: -535.070701
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -108.687
flat angles P-C4'-P energy: -72.767
tors. eta vs tors. theta energy: -163.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1745.626167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.626167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.626167 (E_RNA)
where:
Base-Base interactions energy: -1227.475
where: short stacking energy: -504.436
Base-Backbone interact. energy: 0.021
local terms energy: -518.171783
where:
bonds (distance) C4'-P energy: -89.012
bonds (distance) P-C4' energy: -93.640
flat angles C4'-P-C4' energy: -117.693
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -143.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1680.090764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.090764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.090764 (E_RNA)
where:
Base-Base interactions energy: -1177.010
where: short stacking energy: -469.638
Base-Backbone interact. energy: -2.750
local terms energy: -500.330486
where:
bonds (distance) C4'-P energy: -87.990
bonds (distance) P-C4' energy: -95.767
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -76.182
tors. eta vs tors. theta energy: -135.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1627.599114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.599114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.599114 (E_RNA)
where:
Base-Base interactions energy: -1149.885
where: short stacking energy: -462.596
Base-Backbone interact. energy: -1.537
local terms energy: -476.177620
where:
bonds (distance) C4'-P energy: -86.804
bonds (distance) P-C4' energy: -77.407
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -134.641
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: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1582.047987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.047987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.047987 (E_RNA)
where:
Base-Base interactions energy: -1106.989
where: short stacking energy: -436.523
Base-Backbone interact. energy: 0.483
local terms energy: -475.542434
where:
bonds (distance) C4'-P energy: -92.804
bonds (distance) P-C4' energy: -103.846
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -65.166
tors. eta vs tors. theta energy: -118.213
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: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1493.081059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.081059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.081059 (E_RNA)
where:
Base-Base interactions energy: -1084.470
where: short stacking energy: -432.533
Base-Backbone interact. energy: -1.239
local terms energy: -407.371927
where:
bonds (distance) C4'-P energy: -68.799
bonds (distance) P-C4' energy: -71.090
flat angles C4'-P-C4' energy: -95.173
flat angles P-C4'-P energy: -59.513
tors. eta vs tors. theta energy: -112.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1095.753806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.753806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.753806 (E_RNA)
where:
Base-Base interactions energy: -702.439
where: short stacking energy: -325.722
Base-Backbone interact. energy: 1.015
local terms energy: -394.329190
where:
bonds (distance) C4'-P energy: -75.275
bonds (distance) P-C4' energy: -94.977
flat angles C4'-P-C4' energy: -95.737
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -73.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1037.096844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.096844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.096844 (E_RNA)
where:
Base-Base interactions energy: -725.150
where: short stacking energy: -314.185
Base-Backbone interact. energy: 0.057
local terms energy: -312.004140
where:
bonds (distance) C4'-P energy: -73.779
bonds (distance) P-C4' energy: -75.933
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -42.387
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -708.347120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.347120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.347120 (E_RNA)
where:
Base-Base interactions energy: -437.852
where: short stacking energy: -219.174
Base-Backbone interact. energy: -1.324
local terms energy: -269.171115
where:
bonds (distance) C4'-P energy: -66.331
bonds (distance) P-C4' energy: -66.672
flat angles C4'-P-C4' energy: -66.767
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1822.660985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.660985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.660985 (E_RNA)
where:
Base-Base interactions energy: -1274.294
where: short stacking energy: -547.740
Base-Backbone interact. energy: -1.538
local terms energy: -546.829198
where:
bonds (distance) C4'-P energy: -101.583
bonds (distance) P-C4' energy: -100.213
flat angles C4'-P-C4' energy: -115.288
flat angles P-C4'-P energy: -73.408
tors. eta vs tors. theta energy: -156.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1786.802727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.802727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.802727 (E_RNA)
where:
Base-Base interactions energy: -1252.817
where: short stacking energy: -510.609
Base-Backbone interact. energy: -2.375
local terms energy: -531.610779
where:
bonds (distance) C4'-P energy: -90.448
bonds (distance) P-C4' energy: -103.438
flat angles C4'-P-C4' energy: -113.336
flat angles P-C4'-P energy: -71.970
tors. eta vs tors. theta energy: -152.419
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: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1746.900105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.900105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.900105 (E_RNA)
where:
Base-Base interactions energy: -1243.678
where: short stacking energy: -512.061
Base-Backbone interact. energy: -1.129
local terms energy: -502.093145
where:
bonds (distance) C4'-P energy: -82.863
bonds (distance) P-C4' energy: -91.083
flat angles C4'-P-C4' energy: -115.973
flat angles P-C4'-P energy: -69.916
tors. eta vs tors. theta energy: -142.258
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: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1730.028420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.028420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.028420 (E_RNA)
where:
Base-Base interactions energy: -1226.225
where: short stacking energy: -517.832
Base-Backbone interact. energy: -1.471
local terms energy: -502.331955
where:
bonds (distance) C4'-P energy: -76.443
bonds (distance) P-C4' energy: -93.529
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -146.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1618.150154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.150154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.150154 (E_RNA)
where:
Base-Base interactions energy: -1134.580
where: short stacking energy: -472.653
Base-Backbone interact. energy: -2.350
local terms energy: -481.219665
where:
bonds (distance) C4'-P energy: -88.726
bonds (distance) P-C4' energy: -94.375
flat angles C4'-P-C4' energy: -101.666
flat angles P-C4'-P energy: -57.968
tors. eta vs tors. theta energy: -138.484
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: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1595.325589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.325589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.325589 (E_RNA)
where:
Base-Base interactions energy: -1132.768
where: short stacking energy: -448.463
Base-Backbone interact. energy: 0.589
local terms energy: -463.146762
where:
bonds (distance) C4'-P energy: -80.441
bonds (distance) P-C4' energy: -77.476
flat angles C4'-P-C4' energy: -104.871
flat angles P-C4'-P energy: -59.669
tors. eta vs tors. theta energy: -140.690
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: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1531.499685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.499685 (E_RNA)
where:
Base-Base interactions energy: -1110.161
where: short stacking energy: -450.650
Base-Backbone interact. energy: 1.446
local terms energy: -422.784907
where:
bonds (distance) C4'-P energy: -72.482
bonds (distance) P-C4' energy: -78.140
flat angles C4'-P-C4' energy: -91.832
flat angles P-C4'-P energy: -55.924
tors. eta vs tors. theta energy: -124.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1106.788238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.788238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.788238 (E_RNA)
where:
Base-Base interactions energy: -740.461
where: short stacking energy: -320.903
Base-Backbone interact. energy: 0.311
local terms energy: -366.638118
where:
bonds (distance) C4'-P energy: -83.282
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -71.552
flat angles P-C4'-P energy: -50.070
tors. eta vs tors. theta energy: -73.102
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -982.762091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.762091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.762091 (E_RNA)
where:
Base-Base interactions energy: -672.594
where: short stacking energy: -294.339
Base-Backbone interact. energy: 0.545
local terms energy: -310.713018
where:
bonds (distance) C4'-P energy: -67.838
bonds (distance) P-C4' energy: -77.040
flat angles C4'-P-C4' energy: -73.256
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -649.702649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.702649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.702649 (E_RNA)
where:
Base-Base interactions energy: -365.638
where: short stacking energy: -185.685
Base-Backbone interact. energy: -2.313
local terms energy: -281.752020
where:
bonds (distance) C4'-P energy: -82.583
bonds (distance) P-C4' energy: -75.841
flat angles C4'-P-C4' energy: -75.852
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1802.528520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.528520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.528520 (E_RNA)
where:
Base-Base interactions energy: -1274.081
where: short stacking energy: -508.639
Base-Backbone interact. energy: -0.964
local terms energy: -527.483050
where:
bonds (distance) C4'-P energy: -95.935
bonds (distance) P-C4' energy: -98.733
flat angles C4'-P-C4' energy: -102.996
flat angles P-C4'-P energy: -83.899
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: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1765.934173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.934173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.934173 (E_RNA)
where:
Base-Base interactions energy: -1232.315
where: short stacking energy: -489.652
Base-Backbone interact. energy: -3.824
local terms energy: -529.795055
where:
bonds (distance) C4'-P energy: -95.503
bonds (distance) P-C4' energy: -96.791
flat angles C4'-P-C4' energy: -113.987
flat angles P-C4'-P energy: -72.759
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: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1752.120334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.120334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.120334 (E_RNA)
where:
Base-Base interactions energy: -1253.823
where: short stacking energy: -506.696
Base-Backbone interact. energy: -0.610
local terms energy: -497.686737
where:
bonds (distance) C4'-P energy: -86.293
bonds (distance) P-C4' energy: -85.241
flat angles C4'-P-C4' energy: -111.622
flat angles P-C4'-P energy: -71.158
tors. eta vs tors. theta energy: -143.373
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: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1707.580349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.580349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.580349 (E_RNA)
where:
Base-Base interactions energy: -1202.587
where: short stacking energy: -484.723
Base-Backbone interact. energy: 1.142
local terms energy: -506.135259
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -96.409
flat angles C4'-P-C4' energy: -112.912
flat angles P-C4'-P energy: -67.545
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: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1570.168745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.168745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.168745 (E_RNA)
where:
Base-Base interactions energy: -1112.980
where: short stacking energy: -456.819
Base-Backbone interact. energy: -0.442
local terms energy: -456.746862
where:
bonds (distance) C4'-P energy: -74.119
bonds (distance) P-C4' energy: -85.690
flat angles C4'-P-C4' energy: -103.022
flat angles P-C4'-P energy: -69.526
tors. eta vs tors. theta energy: -124.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1607.063855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.063855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.063855 (E_RNA)
where:
Base-Base interactions energy: -1119.556
where: short stacking energy: -460.802
Base-Backbone interact. energy: 1.150
local terms energy: -488.657916
where:
bonds (distance) C4'-P energy: -88.000
bonds (distance) P-C4' energy: -85.396
flat angles C4'-P-C4' energy: -106.660
flat angles P-C4'-P energy: -76.626
tors. eta vs tors. theta energy: -131.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1523.563564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.563564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.563564 (E_RNA)
where:
Base-Base interactions energy: -1103.093
where: short stacking energy: -428.408
Base-Backbone interact. energy: -2.599
local terms energy: -417.871776
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -75.412
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -108.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1095.267600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.267600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.267600 (E_RNA)
where:
Base-Base interactions energy: -754.683
where: short stacking energy: -306.374
Base-Backbone interact. energy: 1.432
local terms energy: -342.015884
where:
bonds (distance) C4'-P energy: -75.468
bonds (distance) P-C4' energy: -70.895
flat angles C4'-P-C4' energy: -72.931
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -68.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -984.432131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.432131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.432131 (E_RNA)
where:
Base-Base interactions energy: -660.731
where: short stacking energy: -286.989
Base-Backbone interact. energy: -1.951
local terms energy: -321.749668
where:
bonds (distance) C4'-P energy: -81.282
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -84.915
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -47.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -706.773769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.773769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.773769 (E_RNA)
where:
Base-Base interactions energy: -400.827
where: short stacking energy: -202.175
Base-Backbone interact. energy: 3.439
local terms energy: -309.384881
where:
bonds (distance) C4'-P energy: -72.205
bonds (distance) P-C4' energy: -91.617
flat angles C4'-P-C4' energy: -86.810
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -16.256
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: 456
Temperature: 0.900000
Total energy: -1821.006177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.006177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.006177 (E_RNA)
where:
Base-Base interactions energy: -1269.018
where: short stacking energy: -534.397
Base-Backbone interact. energy: 1.412
local terms energy: -553.399765
where:
bonds (distance) C4'-P energy: -109.094
bonds (distance) P-C4' energy: -92.535
flat angles C4'-P-C4' energy: -111.657
flat angles P-C4'-P energy: -74.827
tors. eta vs tors. theta energy: -165.286
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: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1778.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.069240 (E_RNA)
where:
Base-Base interactions energy: -1246.399
where: short stacking energy: -524.740
Base-Backbone interact. energy: -2.074
local terms energy: -529.596104
where:
bonds (distance) C4'-P energy: -98.449
bonds (distance) P-C4' energy: -92.142
flat angles C4'-P-C4' energy: -115.147
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -155.836
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: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1738.199883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.199883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.199883 (E_RNA)
where:
Base-Base interactions energy: -1227.025
where: short stacking energy: -502.634
Base-Backbone interact. energy: -1.147
local terms energy: -510.028004
where:
bonds (distance) C4'-P energy: -82.696
bonds (distance) P-C4' energy: -101.128
flat angles C4'-P-C4' energy: -112.940
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -149.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1668.975338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.975338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.975338 (E_RNA)
where:
Base-Base interactions energy: -1167.841
where: short stacking energy: -484.643
Base-Backbone interact. energy: -0.155
local terms energy: -500.979276
where:
bonds (distance) C4'-P energy: -82.840
bonds (distance) P-C4' energy: -94.727
flat angles C4'-P-C4' energy: -106.724
flat angles P-C4'-P energy: -68.828
tors. eta vs tors. theta energy: -147.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1658.610161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.610161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.610161 (E_RNA)
where:
Base-Base interactions energy: -1171.854
where: short stacking energy: -466.386
Base-Backbone interact. energy: -1.187
local terms energy: -485.568890
where:
bonds (distance) C4'-P energy: -93.546
bonds (distance) P-C4' energy: -86.428
flat angles C4'-P-C4' energy: -103.855
flat angles P-C4'-P energy: -68.762
tors. eta vs tors. theta energy: -132.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1521.632190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.632190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.632190 (E_RNA)
where:
Base-Base interactions energy: -1086.910
where: short stacking energy: -427.997
Base-Backbone interact. energy: -1.253
local terms energy: -433.469075
where:
bonds (distance) C4'-P energy: -79.452
bonds (distance) P-C4' energy: -82.351
flat angles C4'-P-C4' energy: -97.404
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -114.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1551.620019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.620019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.620019 (E_RNA)
where:
Base-Base interactions energy: -1107.846
where: short stacking energy: -441.560
Base-Backbone interact. energy: 0.643
local terms energy: -444.417509
where:
bonds (distance) C4'-P energy: -75.645
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -100.516
flat angles P-C4'-P energy: -59.018
tors. eta vs tors. theta energy: -126.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1096.199705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.199705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.199705 (E_RNA)
where:
Base-Base interactions energy: -723.296
where: short stacking energy: -311.690
Base-Backbone interact. energy: 2.870
local terms energy: -375.773291
where:
bonds (distance) C4'-P energy: -85.320
bonds (distance) P-C4' energy: -81.583
flat angles C4'-P-C4' energy: -88.305
flat angles P-C4'-P energy: -50.289
tors. eta vs tors. theta energy: -70.276
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: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -959.792523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.792523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.792523 (E_RNA)
where:
Base-Base interactions energy: -639.204
where: short stacking energy: -281.693
Base-Backbone interact. energy: 0.871
local terms energy: -321.459381
where:
bonds (distance) C4'-P energy: -79.190
bonds (distance) P-C4' energy: -62.068
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -53.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -733.185727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.185727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.185727 (E_RNA)
where:
Base-Base interactions energy: -435.212
where: short stacking energy: -215.120
Base-Backbone interact. energy: 2.067
local terms energy: -300.040718
where:
bonds (distance) C4'-P energy: -69.511
bonds (distance) P-C4' energy: -96.439
flat angles C4'-P-C4' energy: -76.720
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -23.720
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: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1812.085097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.085097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.085097 (E_RNA)
where:
Base-Base interactions energy: -1266.537
where: short stacking energy: -519.286
Base-Backbone interact. energy: -1.283
local terms energy: -544.265209
where:
bonds (distance) C4'-P energy: -100.857
bonds (distance) P-C4' energy: -103.541
flat angles C4'-P-C4' energy: -111.783
flat angles P-C4'-P energy: -75.474
tors. eta vs tors. theta energy: -152.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1802.660893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.660893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.660893 (E_RNA)
where:
Base-Base interactions energy: -1261.966
where: short stacking energy: -529.976
Base-Backbone interact. energy: -2.621
local terms energy: -538.073911
where:
bonds (distance) C4'-P energy: -100.225
bonds (distance) P-C4' energy: -96.817
flat angles C4'-P-C4' energy: -101.245
flat angles P-C4'-P energy: -89.606
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1782.792010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.792010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.792010 (E_RNA)
where:
Base-Base interactions energy: -1255.313
where: short stacking energy: -517.724
Base-Backbone interact. energy: -2.138
local terms energy: -525.341071
where:
bonds (distance) C4'-P energy: -94.313
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -104.712
flat angles P-C4'-P energy: -79.365
tors. eta vs tors. theta energy: -150.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1706.999643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.999643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.999643 (E_RNA)
where:
Base-Base interactions energy: -1190.839
where: short stacking energy: -483.266
Base-Backbone interact. energy: -1.308
local terms energy: -514.852769
where:
bonds (distance) C4'-P energy: -97.572
bonds (distance) P-C4' energy: -90.208
flat angles C4'-P-C4' energy: -114.582
flat angles P-C4'-P energy: -70.211
tors. eta vs tors. theta energy: -142.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1663.134707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.134707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.134707 (E_RNA)
where:
Base-Base interactions energy: -1157.408
where: short stacking energy: -485.820
Base-Backbone interact. energy: 1.423
local terms energy: -507.149154
where:
bonds (distance) C4'-P energy: -90.789
bonds (distance) P-C4' energy: -99.058
flat angles C4'-P-C4' energy: -98.703
flat angles P-C4'-P energy: -85.145
tors. eta vs tors. theta energy: -133.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1590.125822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.125822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.125822 (E_RNA)
where:
Base-Base interactions energy: -1106.620
where: short stacking energy: -456.017
Base-Backbone interact. energy: -0.886
local terms energy: -482.620349
where:
bonds (distance) C4'-P energy: -70.280
bonds (distance) P-C4' energy: -92.085
flat angles C4'-P-C4' energy: -107.855
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -136.323
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: 457
Temperature: 1.200000
Total energy: -1527.384791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.384791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.384791 (E_RNA)
where:
Base-Base interactions energy: -1081.234
where: short stacking energy: -466.465
Base-Backbone interact. energy: -0.463
local terms energy: -445.688265
where:
bonds (distance) C4'-P energy: -82.885
bonds (distance) P-C4' energy: -66.929
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -135.729
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: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1097.809812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.809812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.809812 (E_RNA)
where:
Base-Base interactions energy: -729.700
where: short stacking energy: -335.507
Base-Backbone interact. energy: -1.400
local terms energy: -366.709784
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -93.100
flat angles P-C4'-P energy: -51.505
tors. eta vs tors. theta energy: -78.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -952.905228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.905228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.905228 (E_RNA)
where:
Base-Base interactions energy: -601.354
where: short stacking energy: -241.244
Base-Backbone interact. energy: 2.461
local terms energy: -354.012647
where:
bonds (distance) C4'-P energy: -91.744
bonds (distance) P-C4' energy: -79.443
flat angles C4'-P-C4' energy: -90.554
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -42.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -716.656601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.656601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.656601 (E_RNA)
where:
Base-Base interactions energy: -402.391
where: short stacking energy: -180.987
Base-Backbone interact. energy: 2.277
local terms energy: -316.543304
where:
bonds (distance) C4'-P energy: -91.227
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -64.406
flat angles P-C4'-P energy: -54.183
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1841.241416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.241416 (E_RNA)
where:
Base-Base interactions energy: -1291.207
where: short stacking energy: -544.701
Base-Backbone interact. energy: -3.567
local terms energy: -546.466611
where:
bonds (distance) C4'-P energy: -98.949
bonds (distance) P-C4' energy: -106.299
flat angles C4'-P-C4' energy: -107.866
flat angles P-C4'-P energy: -80.564
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: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1793.771161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.771161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.771161 (E_RNA)
where:
Base-Base interactions energy: -1283.645
where: short stacking energy: -541.516
Base-Backbone interact. energy: -5.071
local terms energy: -505.055028
where:
bonds (distance) C4'-P energy: -74.922
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -111.381
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -155.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1753.810398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.810398 (E_RNA)
where:
Base-Base interactions energy: -1235.513
where: short stacking energy: -514.344
Base-Backbone interact. energy: -2.827
local terms energy: -515.470556
where:
bonds (distance) C4'-P energy: -98.780
bonds (distance) P-C4' energy: -81.859
flat angles C4'-P-C4' energy: -113.590
flat angles P-C4'-P energy: -72.089
tors. eta vs tors. theta energy: -149.152
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: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1721.730351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.730351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.730351 (E_RNA)
where:
Base-Base interactions energy: -1213.455
where: short stacking energy: -514.739
Base-Backbone interact. energy: 1.091
local terms energy: -509.366509
where:
bonds (distance) C4'-P energy: -84.159
bonds (distance) P-C4' energy: -87.777
flat angles C4'-P-C4' energy: -115.407
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -149.835
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1653.364314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.364314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.364314 (E_RNA)
where:
Base-Base interactions energy: -1177.612
where: short stacking energy: -485.906
Base-Backbone interact. energy: 3.663
local terms energy: -479.415947
where:
bonds (distance) C4'-P energy: -84.046
bonds (distance) P-C4' energy: -74.699
flat angles C4'-P-C4' energy: -108.150
flat angles P-C4'-P energy: -71.520
tors. eta vs tors. theta energy: -141.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1565.717663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.717663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.717663 (E_RNA)
where:
Base-Base interactions energy: -1114.565
where: short stacking energy: -452.453
Base-Backbone interact. energy: 0.814
local terms energy: -451.966810
where:
bonds (distance) C4'-P energy: -77.828
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -66.138
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: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1487.783815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.783815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.783815 (E_RNA)
where:
Base-Base interactions energy: -1056.404
where: short stacking energy: -441.039
Base-Backbone interact. energy: -1.012
local terms energy: -430.367969
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -80.221
flat angles C4'-P-C4' energy: -100.715
flat angles P-C4'-P energy: -65.683
tors. eta vs tors. theta energy: -115.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1134.601672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.601672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.601672 (E_RNA)
where:
Base-Base interactions energy: -741.242
where: short stacking energy: -323.017
Base-Backbone interact. energy: 1.416
local terms energy: -394.776024
where:
bonds (distance) C4'-P energy: -96.997
bonds (distance) P-C4' energy: -76.691
flat angles C4'-P-C4' energy: -87.841
flat angles P-C4'-P energy: -52.245
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -936.979157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.979157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.979157 (E_RNA)
where:
Base-Base interactions energy: -620.189
where: short stacking energy: -271.873
Base-Backbone interact. energy: -0.329
local terms energy: -316.460354
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -91.351
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: -35.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -800.097601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.097601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.097601 (E_RNA)
where:
Base-Base interactions energy: -482.704
where: short stacking energy: -221.852
Base-Backbone interact. energy: 5.305
local terms energy: -322.698368
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -88.924
flat angles C4'-P-C4' energy: -78.873
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1839.257020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.257020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.257020 (E_RNA)
where:
Base-Base interactions energy: -1278.161
where: short stacking energy: -540.901
Base-Backbone interact. energy: -7.862
local terms energy: -553.234412
where:
bonds (distance) C4'-P energy: -101.200
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -112.083
flat angles P-C4'-P energy: -82.880
tors. eta vs tors. theta energy: -160.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1808.576957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.576957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.576957 (E_RNA)
where:
Base-Base interactions energy: -1268.622
where: short stacking energy: -546.975
Base-Backbone interact. energy: 0.158
local terms energy: -540.112579
where:
bonds (distance) C4'-P energy: -86.731
bonds (distance) P-C4' energy: -105.767
flat angles C4'-P-C4' energy: -111.235
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -153.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1737.335949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.335949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.335949 (E_RNA)
where:
Base-Base interactions energy: -1219.783
where: short stacking energy: -495.598
Base-Backbone interact. energy: -1.335
local terms energy: -516.218359
where:
bonds (distance) C4'-P energy: -87.523
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -102.878
flat angles P-C4'-P energy: -73.358
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1720.547840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.547840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.547840 (E_RNA)
where:
Base-Base interactions energy: -1211.031
where: short stacking energy: -494.152
Base-Backbone interact. energy: -2.665
local terms energy: -506.852268
where:
bonds (distance) C4'-P energy: -81.712
bonds (distance) P-C4' energy: -89.886
flat angles C4'-P-C4' energy: -112.099
flat angles P-C4'-P energy: -76.167
tors. eta vs tors. theta energy: -146.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1703.616187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.616187 (E_RNA)
where:
Base-Base interactions energy: -1186.703
where: short stacking energy: -475.247
Base-Backbone interact. energy: -1.982
local terms energy: -514.931170
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -104.579
flat angles P-C4'-P energy: -80.775
tors. eta vs tors. theta energy: -144.156
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: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1586.496943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.496943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.496943 (E_RNA)
where:
Base-Base interactions energy: -1104.339
where: short stacking energy: -452.657
Base-Backbone interact. energy: -2.641
local terms energy: -479.516699
where:
bonds (distance) C4'-P energy: -87.328
bonds (distance) P-C4' energy: -85.876
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -72.420
tors. eta vs tors. theta energy: -130.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1506.976708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.976708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.976708 (E_RNA)
where:
Base-Base interactions energy: -1055.745
where: short stacking energy: -430.465
Base-Backbone interact. energy: 0.232
local terms energy: -451.463485
where:
bonds (distance) C4'-P energy: -75.835
bonds (distance) P-C4' energy: -85.553
flat angles C4'-P-C4' energy: -105.121
flat angles P-C4'-P energy: -65.202
tors. eta vs tors. theta energy: -119.752
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: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1118.789180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.789180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.789180 (E_RNA)
where:
Base-Base interactions energy: -745.786
where: short stacking energy: -320.308
Base-Backbone interact. energy: -2.618
local terms energy: -370.384491
where:
bonds (distance) C4'-P energy: -73.317
bonds (distance) P-C4' energy: -65.999
flat angles C4'-P-C4' energy: -88.060
flat angles P-C4'-P energy: -65.241
tors. eta vs tors. theta energy: -77.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -989.526857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.526857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.526857 (E_RNA)
where:
Base-Base interactions energy: -642.918
where: short stacking energy: -288.037
Base-Backbone interact. energy: 0.569
local terms energy: -347.178133
where:
bonds (distance) C4'-P energy: -75.770
bonds (distance) P-C4' energy: -82.071
flat angles C4'-P-C4' energy: -86.853
flat angles P-C4'-P energy: -53.134
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -794.238765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.238765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.238765 (E_RNA)
where:
Base-Base interactions energy: -477.744
where: short stacking energy: -220.703
Base-Backbone interact. energy: -2.395
local terms energy: -314.099139
where:
bonds (distance) C4'-P energy: -75.301
bonds (distance) P-C4' energy: -74.834
flat angles C4'-P-C4' energy: -85.252
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: -38.569
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: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1840.004825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.004825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.004825 (E_RNA)
where:
Base-Base interactions energy: -1306.992
where: short stacking energy: -553.903
Base-Backbone interact. energy: -2.120
local terms energy: -530.893271
where:
bonds (distance) C4'-P energy: -100.999
bonds (distance) P-C4' energy: -94.906
flat angles C4'-P-C4' energy: -112.926
flat angles P-C4'-P energy: -67.520
tors. eta vs tors. theta energy: -154.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1790.705065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.705065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.705065 (E_RNA)
where:
Base-Base interactions energy: -1232.950
where: short stacking energy: -540.265
Base-Backbone interact. energy: -0.598
local terms energy: -557.157091
where:
bonds (distance) C4'-P energy: -94.886
bonds (distance) P-C4' energy: -101.303
flat angles C4'-P-C4' energy: -111.592
flat angles P-C4'-P energy: -84.214
tors. eta vs tors. theta energy: -165.161
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: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1759.782663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.782663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.782663 (E_RNA)
where:
Base-Base interactions energy: -1237.420
where: short stacking energy: -531.173
Base-Backbone interact. energy: -1.380
local terms energy: -520.982760
where:
bonds (distance) C4'-P energy: -83.951
bonds (distance) P-C4' energy: -90.363
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -81.639
tors. eta vs tors. theta energy: -151.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1701.393478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.393478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.393478 (E_RNA)
where:
Base-Base interactions energy: -1208.857
where: short stacking energy: -497.656
Base-Backbone interact. energy: 1.408
local terms energy: -493.944731
where:
bonds (distance) C4'-P energy: -92.064
bonds (distance) P-C4' energy: -85.631
flat angles C4'-P-C4' energy: -98.585
flat angles P-C4'-P energy: -71.037
tors. eta vs tors. theta energy: -146.629
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: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1624.275278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.275278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.275278 (E_RNA)
where:
Base-Base interactions energy: -1145.887
where: short stacking energy: -460.337
Base-Backbone interact. energy: -1.115
local terms energy: -477.273021
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -92.529
flat angles C4'-P-C4' energy: -96.424
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: -132.575
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: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1625.689617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.689617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.689617 (E_RNA)
where:
Base-Base interactions energy: -1137.267
where: short stacking energy: -476.364
Base-Backbone interact. energy: -0.007
local terms energy: -488.415314
where:
bonds (distance) C4'-P energy: -85.668
bonds (distance) P-C4' energy: -92.969
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -61.303
tors. eta vs tors. theta energy: -139.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1459.319605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.319605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.319605 (E_RNA)
where:
Base-Base interactions energy: -1030.024
where: short stacking energy: -428.887
Base-Backbone interact. energy: -0.721
local terms energy: -428.574277
where:
bonds (distance) C4'-P energy: -70.108
bonds (distance) P-C4' energy: -80.251
flat angles C4'-P-C4' energy: -93.083
flat angles P-C4'-P energy: -66.385
tors. eta vs tors. theta energy: -118.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1157.712903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.712903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.712903 (E_RNA)
where:
Base-Base interactions energy: -758.774
where: short stacking energy: -350.142
Base-Backbone interact. energy: -1.646
local terms energy: -397.292903
where:
bonds (distance) C4'-P energy: -81.817
bonds (distance) P-C4' energy: -72.738
flat angles C4'-P-C4' energy: -86.841
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -94.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -974.634035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.634035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.634035 (E_RNA)
where:
Base-Base interactions energy: -631.928
where: short stacking energy: -280.497
Base-Backbone interact. energy: 6.918
local terms energy: -349.624081
where:
bonds (distance) C4'-P energy: -65.701
bonds (distance) P-C4' energy: -94.414
flat angles C4'-P-C4' energy: -83.484
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -57.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -764.587967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.587967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.587967 (E_RNA)
where:
Base-Base interactions energy: -459.977
where: short stacking energy: -233.723
Base-Backbone interact. energy: 1.510
local terms energy: -306.121132
where:
bonds (distance) C4'-P energy: -58.096
bonds (distance) P-C4' energy: -79.812
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -63.737
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1809.354356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.354356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.354356 (E_RNA)
where:
Base-Base interactions energy: -1256.233
where: short stacking energy: -526.731
Base-Backbone interact. energy: -3.855
local terms energy: -549.265913
where:
bonds (distance) C4'-P energy: -93.702
bonds (distance) P-C4' energy: -100.693
flat angles C4'-P-C4' energy: -118.597
flat angles P-C4'-P energy: -75.174
tors. eta vs tors. theta energy: -161.100
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: 461
Temperature: 0.950000
Total energy: -1787.359245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.359245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.359245 (E_RNA)
where:
Base-Base interactions energy: -1243.650
where: short stacking energy: -514.040
Base-Backbone interact. energy: -1.487
local terms energy: -542.222390
where:
bonds (distance) C4'-P energy: -99.870
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -108.383
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -157.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1757.794883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.794883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.794883 (E_RNA)
where:
Base-Base interactions energy: -1235.305
where: short stacking energy: -532.647
Base-Backbone interact. energy: -1.195
local terms energy: -521.294809
where:
bonds (distance) C4'-P energy: -89.418
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -112.943
flat angles P-C4'-P energy: -73.665
tors. eta vs tors. theta energy: -155.909
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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1705.264048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.264048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.264048 (E_RNA)
where:
Base-Base interactions energy: -1212.821
where: short stacking energy: -505.032
Base-Backbone interact. energy: -0.985
local terms energy: -491.457953
where:
bonds (distance) C4'-P energy: -86.879
bonds (distance) P-C4' energy: -88.133
flat angles C4'-P-C4' energy: -103.724
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -141.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1659.795387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.795387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.795387 (E_RNA)
where:
Base-Base interactions energy: -1181.812
where: short stacking energy: -497.581
Base-Backbone interact. energy: -2.990
local terms energy: -474.993183
where:
bonds (distance) C4'-P energy: -81.206
bonds (distance) P-C4' energy: -81.069
flat angles C4'-P-C4' energy: -94.593
flat angles P-C4'-P energy: -70.884
tors. eta vs tors. theta energy: -147.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1663.522279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.522279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.522279 (E_RNA)
where:
Base-Base interactions energy: -1165.838
where: short stacking energy: -475.495
Base-Backbone interact. energy: -1.871
local terms energy: -495.814083
where:
bonds (distance) C4'-P energy: -85.240
bonds (distance) P-C4' energy: -95.684
flat angles C4'-P-C4' energy: -110.687
flat angles P-C4'-P energy: -61.877
tors. eta vs tors. theta energy: -142.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1537.748314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.748314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.748314 (E_RNA)
where:
Base-Base interactions energy: -1069.643
where: short stacking energy: -423.534
Base-Backbone interact. energy: -3.929
local terms energy: -464.176770
where:
bonds (distance) C4'-P energy: -89.888
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -94.380
flat angles P-C4'-P energy: -59.417
tors. eta vs tors. theta energy: -129.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1188.223583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.223583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.223583 (E_RNA)
where:
Base-Base interactions energy: -778.762
where: short stacking energy: -347.075
Base-Backbone interact. energy: -1.884
local terms energy: -407.578148
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -91.700
flat angles C4'-P-C4' energy: -96.352
flat angles P-C4'-P energy: -60.618
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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -921.046500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.046500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.046500 (E_RNA)
where:
Base-Base interactions energy: -586.024
where: short stacking energy: -260.182
Base-Backbone interact. energy: -1.274
local terms energy: -333.748375
where:
bonds (distance) C4'-P energy: -81.182
bonds (distance) P-C4' energy: -80.440
flat angles C4'-P-C4' energy: -75.768
flat angles P-C4'-P energy: -54.245
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -796.518595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.518595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.518595 (E_RNA)
where:
Base-Base interactions energy: -489.753
where: short stacking energy: -212.528
Base-Backbone interact. energy: -3.337
local terms energy: -303.428212
where:
bonds (distance) C4'-P energy: -86.648
bonds (distance) P-C4' energy: -75.215
flat angles C4'-P-C4' energy: -80.153
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -31.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1823.494194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.494194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.494194 (E_RNA)
where:
Base-Base interactions energy: -1278.871
where: short stacking energy: -533.259
Base-Backbone interact. energy: 0.552
local terms energy: -545.174730
where:
bonds (distance) C4'-P energy: -97.162
bonds (distance) P-C4' energy: -104.143
flat angles C4'-P-C4' energy: -106.342
flat angles P-C4'-P energy: -81.007
tors. eta vs tors. theta energy: -156.521
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1787.554848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.554848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.554848 (E_RNA)
where:
Base-Base interactions energy: -1259.528
where: short stacking energy: -536.896
Base-Backbone interact. energy: 1.709
local terms energy: -529.735989
where:
bonds (distance) C4'-P energy: -94.579
bonds (distance) P-C4' energy: -105.476
flat angles C4'-P-C4' energy: -103.520
flat angles P-C4'-P energy: -72.256
tors. eta vs tors. theta energy: -153.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1764.882970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.882970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.882970 (E_RNA)
where:
Base-Base interactions energy: -1228.563
where: short stacking energy: -523.300
Base-Backbone interact. energy: -4.223
local terms energy: -532.097440
where:
bonds (distance) C4'-P energy: -97.153
bonds (distance) P-C4' energy: -97.929
flat angles C4'-P-C4' energy: -105.214
flat angles P-C4'-P energy: -79.736
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: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1698.551376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.551376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.551376 (E_RNA)
where:
Base-Base interactions energy: -1184.122
where: short stacking energy: -489.717
Base-Backbone interact. energy: -0.192
local terms energy: -514.237585
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -88.735
flat angles C4'-P-C4' energy: -109.123
flat angles P-C4'-P energy: -80.866
tors. eta vs tors. theta energy: -138.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1653.700579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.700579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.700579 (E_RNA)
where:
Base-Base interactions energy: -1179.025
where: short stacking energy: -461.995
Base-Backbone interact. energy: -1.520
local terms energy: -473.155727
where:
bonds (distance) C4'-P energy: -86.142
bonds (distance) P-C4' energy: -90.705
flat angles C4'-P-C4' energy: -103.331
flat angles P-C4'-P energy: -62.195
tors. eta vs tors. theta energy: -130.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1617.885532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.885532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.885532 (E_RNA)
where:
Base-Base interactions energy: -1137.874
where: short stacking energy: -475.262
Base-Backbone interact. energy: -2.333
local terms energy: -477.678583
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -86.001
flat angles C4'-P-C4' energy: -116.353
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -133.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1511.897634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.897634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.897634 (E_RNA)
where:
Base-Base interactions energy: -1069.703
where: short stacking energy: -449.617
Base-Backbone interact. energy: -1.885
local terms energy: -440.309484
where:
bonds (distance) C4'-P energy: -85.829
bonds (distance) P-C4' energy: -78.620
flat angles C4'-P-C4' energy: -92.884
flat angles P-C4'-P energy: -51.068
tors. eta vs tors. theta energy: -131.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1142.412833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.412833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.412833 (E_RNA)
where:
Base-Base interactions energy: -768.882
where: short stacking energy: -327.202
Base-Backbone interact. energy: 3.220
local terms energy: -376.750506
where:
bonds (distance) C4'-P energy: -83.737
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -82.384
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -80.838
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: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -950.570298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.570298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.570298 (E_RNA)
where:
Base-Base interactions energy: -599.555
where: short stacking energy: -270.675
Base-Backbone interact. energy: 0.968
local terms energy: -351.983901
where:
bonds (distance) C4'-P energy: -79.693
bonds (distance) P-C4' energy: -88.472
flat angles C4'-P-C4' energy: -76.537
flat angles P-C4'-P energy: -63.843
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -771.780936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.780936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.780936 (E_RNA)
where:
Base-Base interactions energy: -472.201
where: short stacking energy: -219.246
Base-Backbone interact. energy: -3.555
local terms energy: -296.024300
where:
bonds (distance) C4'-P energy: -67.843
bonds (distance) P-C4' energy: -83.863
flat angles C4'-P-C4' energy: -78.622
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1828.057330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.057330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.057330 (E_RNA)
where:
Base-Base interactions energy: -1273.784
where: short stacking energy: -533.746
Base-Backbone interact. energy: -5.606
local terms energy: -548.667948
where:
bonds (distance) C4'-P energy: -99.414
bonds (distance) P-C4' energy: -106.266
flat angles C4'-P-C4' energy: -114.355
flat angles P-C4'-P energy: -75.940
tors. eta vs tors. theta energy: -152.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1791.325708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.325708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.325708 (E_RNA)
where:
Base-Base interactions energy: -1250.771
where: short stacking energy: -521.720
Base-Backbone interact. energy: -2.989
local terms energy: -537.566221
where:
bonds (distance) C4'-P energy: -99.941
bonds (distance) P-C4' energy: -91.808
flat angles C4'-P-C4' energy: -106.712
flat angles P-C4'-P energy: -89.797
tors. eta vs tors. theta energy: -149.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1774.365421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.365421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.365421 (E_RNA)
where:
Base-Base interactions energy: -1226.036
where: short stacking energy: -505.462
Base-Backbone interact. energy: -2.614
local terms energy: -545.714994
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -121.312
flat angles P-C4'-P energy: -81.693
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1675.107502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.107502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.107502 (E_RNA)
where:
Base-Base interactions energy: -1184.541
where: short stacking energy: -472.609
Base-Backbone interact. energy: 0.227
local terms energy: -490.793135
where:
bonds (distance) C4'-P energy: -80.429
bonds (distance) P-C4' energy: -94.257
flat angles C4'-P-C4' energy: -106.110
flat angles P-C4'-P energy: -77.547
tors. eta vs tors. theta energy: -132.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1621.661633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.661633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.661633 (E_RNA)
where:
Base-Base interactions energy: -1132.599
where: short stacking energy: -475.790
Base-Backbone interact. energy: -0.379
local terms energy: -488.683808
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -86.392
flat angles C4'-P-C4' energy: -97.284
flat angles P-C4'-P energy: -73.167
tors. eta vs tors. theta energy: -146.002
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1551.321784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.321784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.321784 (E_RNA)
where:
Base-Base interactions energy: -1083.251
where: short stacking energy: -454.631
Base-Backbone interact. energy: -2.958
local terms energy: -465.113167
where:
bonds (distance) C4'-P energy: -88.188
bonds (distance) P-C4' energy: -85.538
flat angles C4'-P-C4' energy: -97.733
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -137.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1590.204878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.204878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.204878 (E_RNA)
where:
Base-Base interactions energy: -1126.014
where: short stacking energy: -453.067
Base-Backbone interact. energy: -0.776
local terms energy: -463.414414
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -75.333
flat angles C4'-P-C4' energy: -100.514
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -129.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1146.917493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.917493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.917493 (E_RNA)
where:
Base-Base interactions energy: -759.087
where: short stacking energy: -324.276
Base-Backbone interact. energy: 1.547
local terms energy: -389.378399
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -82.284
flat angles C4'-P-C4' energy: -92.465
flat angles P-C4'-P energy: -50.308
tors. eta vs tors. theta energy: -90.843
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: 463
Temperature: 1.300000
Total energy: -950.314400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.314400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.314400 (E_RNA)
where:
Base-Base interactions energy: -605.722
where: short stacking energy: -281.238
Base-Backbone interact. energy: 0.523
local terms energy: -345.115467
where:
bonds (distance) C4'-P energy: -66.797
bonds (distance) P-C4' energy: -74.932
flat angles C4'-P-C4' energy: -86.671
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -58.683
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: 463
Temperature: 1.350000
Total energy: -829.928537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.928537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.928537 (E_RNA)
where:
Base-Base interactions energy: -527.576
where: short stacking energy: -245.826
Base-Backbone interact. energy: -0.479
local terms energy: -301.873883
where:
bonds (distance) C4'-P energy: -86.708
bonds (distance) P-C4' energy: -67.926
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1817.170612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.170612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.170612 (E_RNA)
where:
Base-Base interactions energy: -1265.769
where: short stacking energy: -512.432
Base-Backbone interact. energy: -4.027
local terms energy: -547.374118
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -101.517
flat angles C4'-P-C4' energy: -109.689
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -151.857
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: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1784.369424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.369424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.369424 (E_RNA)
where:
Base-Base interactions energy: -1267.038
where: short stacking energy: -510.904
Base-Backbone interact. energy: -3.118
local terms energy: -514.213363
where:
bonds (distance) C4'-P energy: -88.244
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -144.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1783.776531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.776531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.776531 (E_RNA)
where:
Base-Base interactions energy: -1255.517
where: short stacking energy: -519.519
Base-Backbone interact. energy: -1.389
local terms energy: -526.869899
where:
bonds (distance) C4'-P energy: -90.833
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -110.190
flat angles P-C4'-P energy: -74.123
tors. eta vs tors. theta energy: -151.489
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: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1712.183365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.183365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.183365 (E_RNA)
where:
Base-Base interactions energy: -1222.805
where: short stacking energy: -512.795
Base-Backbone interact. energy: 0.028
local terms energy: -489.407157
where:
bonds (distance) C4'-P energy: -97.725
bonds (distance) P-C4' energy: -68.295
flat angles C4'-P-C4' energy: -104.081
flat angles P-C4'-P energy: -76.804
tors. eta vs tors. theta energy: -142.502
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: 464
Temperature: 1.100000
Total energy: -1638.086599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.086599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.086599 (E_RNA)
where:
Base-Base interactions energy: -1153.005
where: short stacking energy: -492.613
Base-Backbone interact. energy: -2.186
local terms energy: -482.894710
where:
bonds (distance) C4'-P energy: -78.319
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -105.079
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -140.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1570.787864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.787864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.787864 (E_RNA)
where:
Base-Base interactions energy: -1092.343
where: short stacking energy: -459.059
Base-Backbone interact. energy: -1.189
local terms energy: -477.255188
where:
bonds (distance) C4'-P energy: -81.731
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -98.732
flat angles P-C4'-P energy: -68.152
tors. eta vs tors. theta energy: -137.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1585.017707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.017707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.017707 (E_RNA)
where:
Base-Base interactions energy: -1117.391
where: short stacking energy: -441.623
Base-Backbone interact. energy: 1.586
local terms energy: -469.212667
where:
bonds (distance) C4'-P energy: -62.232
bonds (distance) P-C4' energy: -93.232
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -67.234
tors. eta vs tors. theta energy: -136.582
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: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1163.540422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.540422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.540422 (E_RNA)
where:
Base-Base interactions energy: -767.163
where: short stacking energy: -349.226
Base-Backbone interact. energy: 0.853
local terms energy: -397.230088
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -89.032
flat angles C4'-P-C4' energy: -82.383
flat angles P-C4'-P energy: -57.597
tors. eta vs tors. theta energy: -90.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -911.493839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.493839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.493839 (E_RNA)
where:
Base-Base interactions energy: -585.239
where: short stacking energy: -260.410
Base-Backbone interact. energy: 0.672
local terms energy: -326.926719
where:
bonds (distance) C4'-P energy: -81.552
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -48.079
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: 464
Temperature: 1.350000
Total energy: -747.905753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.905753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.905753 (E_RNA)
where:
Base-Base interactions energy: -433.152
where: short stacking energy: -201.794
Base-Backbone interact. energy: 4.903
local terms energy: -319.656775
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -82.436
flat angles P-C4'-P energy: -42.591
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1839.166239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.166239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.166239 (E_RNA)
where:
Base-Base interactions energy: -1273.464
where: short stacking energy: -535.769
Base-Backbone interact. energy: -1.922
local terms energy: -563.780625
where:
bonds (distance) C4'-P energy: -104.693
bonds (distance) P-C4' energy: -107.008
flat angles C4'-P-C4' energy: -114.872
flat angles P-C4'-P energy: -84.663
tors. eta vs tors. theta energy: -152.545
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: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1790.352882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.352882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.352882 (E_RNA)
where:
Base-Base interactions energy: -1243.528
where: short stacking energy: -517.514
Base-Backbone interact. energy: -0.406
local terms energy: -546.418549
where:
bonds (distance) C4'-P energy: -101.104
bonds (distance) P-C4' energy: -90.067
flat angles C4'-P-C4' energy: -114.195
flat angles P-C4'-P energy: -85.302
tors. eta vs tors. theta energy: -155.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1764.393244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.393244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.393244 (E_RNA)
where:
Base-Base interactions energy: -1243.855
where: short stacking energy: -523.465
Base-Backbone interact. energy: -1.562
local terms energy: -518.975916
where:
bonds (distance) C4'-P energy: -87.326
bonds (distance) P-C4' energy: -104.285
flat angles C4'-P-C4' energy: -106.716
flat angles P-C4'-P energy: -69.564
tors. eta vs tors. theta energy: -151.085
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: 465
Temperature: 1.050000
Total energy: -1665.147879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.147879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.147879 (E_RNA)
where:
Base-Base interactions energy: -1175.689
where: short stacking energy: -475.191
Base-Backbone interact. energy: -1.975
local terms energy: -487.483988
where:
bonds (distance) C4'-P energy: -80.497
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -108.205
flat angles P-C4'-P energy: -74.295
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: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1645.797405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.797405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.797405 (E_RNA)
where:
Base-Base interactions energy: -1189.952
where: short stacking energy: -490.690
Base-Backbone interact. energy: -1.119
local terms energy: -454.726296
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -92.627
flat angles P-C4'-P energy: -70.171
tors. eta vs tors. theta energy: -128.159
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1606.003831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.003831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.003831 (E_RNA)
where:
Base-Base interactions energy: -1139.801
where: short stacking energy: -454.321
Base-Backbone interact. energy: -3.191
local terms energy: -463.011580
where:
bonds (distance) C4'-P energy: -85.800
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -101.137
flat angles P-C4'-P energy: -61.427
tors. eta vs tors. theta energy: -132.808
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: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1524.316306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.316306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.316306 (E_RNA)
where:
Base-Base interactions energy: -1048.395
where: short stacking energy: -443.628
Base-Backbone interact. energy: -1.417
local terms energy: -474.504449
where:
bonds (distance) C4'-P energy: -85.920
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -97.014
flat angles P-C4'-P energy: -69.846
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: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1193.517333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.517333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.517333 (E_RNA)
where:
Base-Base interactions energy: -794.604
where: short stacking energy: -346.620
Base-Backbone interact. energy: -3.066
local terms energy: -395.847205
where:
bonds (distance) C4'-P energy: -83.295
bonds (distance) P-C4' energy: -71.624
flat angles C4'-P-C4' energy: -89.855
flat angles P-C4'-P energy: -64.887
tors. eta vs tors. theta energy: -86.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -950.216249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.216249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.216249 (E_RNA)
where:
Base-Base interactions energy: -610.993
where: short stacking energy: -278.999
Base-Backbone interact. energy: 0.998
local terms energy: -340.220651
where:
bonds (distance) C4'-P energy: -47.252
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -57.774
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: 465
Temperature: 1.350000
Total energy: -761.991638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.991638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.991638 (E_RNA)
where:
Base-Base interactions energy: -463.978
where: short stacking energy: -233.524
Base-Backbone interact. energy: -0.348
local terms energy: -297.666423
where:
bonds (distance) C4'-P energy: -86.318
bonds (distance) P-C4' energy: -70.913
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1831.986691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.986691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.986691 (E_RNA)
where:
Base-Base interactions energy: -1294.561
where: short stacking energy: -539.304
Base-Backbone interact. energy: -4.732
local terms energy: -532.693273
where:
bonds (distance) C4'-P energy: -88.859
bonds (distance) P-C4' energy: -95.158
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -79.330
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: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1814.088982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.088982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.088982 (E_RNA)
where:
Base-Base interactions energy: -1280.136
where: short stacking energy: -529.839
Base-Backbone interact. energy: -4.259
local terms energy: -529.693945
where:
bonds (distance) C4'-P energy: -86.289
bonds (distance) P-C4' energy: -103.014
flat angles C4'-P-C4' energy: -112.277
flat angles P-C4'-P energy: -77.389
tors. eta vs tors. theta energy: -150.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1721.762593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.762593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.762593 (E_RNA)
where:
Base-Base interactions energy: -1209.539
where: short stacking energy: -504.829
Base-Backbone interact. energy: -1.287
local terms energy: -510.936980
where:
bonds (distance) C4'-P energy: -96.624
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -112.434
flat angles P-C4'-P energy: -64.597
tors. eta vs tors. theta energy: -147.096
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: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1680.831358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.831358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.831358 (E_RNA)
where:
Base-Base interactions energy: -1184.703
where: short stacking energy: -473.885
Base-Backbone interact. energy: -4.139
local terms energy: -491.989413
where:
bonds (distance) C4'-P energy: -79.871
bonds (distance) P-C4' energy: -98.035
flat angles C4'-P-C4' energy: -107.672
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -137.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1641.328173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.328173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.328173 (E_RNA)
where:
Base-Base interactions energy: -1160.792
where: short stacking energy: -472.619
Base-Backbone interact. energy: -3.024
local terms energy: -477.512814
where:
bonds (distance) C4'-P energy: -80.270
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -97.226
flat angles P-C4'-P energy: -69.135
tors. eta vs tors. theta energy: -135.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1626.605653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.605653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.605653 (E_RNA)
where:
Base-Base interactions energy: -1159.673
where: short stacking energy: -487.888
Base-Backbone interact. energy: -1.576
local terms energy: -465.356520
where:
bonds (distance) C4'-P energy: -86.227
bonds (distance) P-C4' energy: -79.412
flat angles C4'-P-C4' energy: -103.570
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -134.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1514.841245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.841245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.841245 (E_RNA)
where:
Base-Base interactions energy: -1064.250
where: short stacking energy: -465.623
Base-Backbone interact. energy: 2.255
local terms energy: -452.845834
where:
bonds (distance) C4'-P energy: -75.822
bonds (distance) P-C4' energy: -85.461
flat angles C4'-P-C4' energy: -102.088
flat angles P-C4'-P energy: -61.898
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: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1223.904146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.904146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.904146 (E_RNA)
where:
Base-Base interactions energy: -826.703
where: short stacking energy: -390.917
Base-Backbone interact. energy: -0.335
local terms energy: -396.866117
where:
bonds (distance) C4'-P energy: -75.887
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -86.079
flat angles P-C4'-P energy: -55.264
tors. eta vs tors. theta energy: -110.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -954.850483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.850483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.850483 (E_RNA)
where:
Base-Base interactions energy: -638.936
where: short stacking energy: -260.117
Base-Backbone interact. energy: -1.401
local terms energy: -314.513672
where:
bonds (distance) C4'-P energy: -76.501
bonds (distance) P-C4' energy: -80.553
flat angles C4'-P-C4' energy: -74.461
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -40.321
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: 466
Temperature: 1.350000
Total energy: -705.279572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.279572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.279572 (E_RNA)
where:
Base-Base interactions energy: -421.149
where: short stacking energy: -204.440
Base-Backbone interact. energy: 4.282
local terms energy: -288.412015
where:
bonds (distance) C4'-P energy: -84.394
bonds (distance) P-C4' energy: -72.410
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1815.435083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.435083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.435083 (E_RNA)
where:
Base-Base interactions energy: -1285.607
where: short stacking energy: -543.263
Base-Backbone interact. energy: -2.824
local terms energy: -527.003900
where:
bonds (distance) C4'-P energy: -84.806
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -112.778
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -154.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1805.031521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.031521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.031521 (E_RNA)
where:
Base-Base interactions energy: -1254.004
where: short stacking energy: -530.265
Base-Backbone interact. energy: -2.522
local terms energy: -548.505256
where:
bonds (distance) C4'-P energy: -98.131
bonds (distance) P-C4' energy: -97.686
flat angles C4'-P-C4' energy: -122.890
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -150.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1736.147153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.147153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.147153 (E_RNA)
where:
Base-Base interactions energy: -1225.041
where: short stacking energy: -490.237
Base-Backbone interact. energy: -0.117
local terms energy: -510.989273
where:
bonds (distance) C4'-P energy: -88.695
bonds (distance) P-C4' energy: -86.543
flat angles C4'-P-C4' energy: -120.338
flat angles P-C4'-P energy: -73.451
tors. eta vs tors. theta energy: -141.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1682.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.022841 (E_RNA)
where:
Base-Base interactions energy: -1166.023
where: short stacking energy: -497.115
Base-Backbone interact. energy: -3.808
local terms energy: -512.191939
where:
bonds (distance) C4'-P energy: -104.121
bonds (distance) P-C4' energy: -94.580
flat angles C4'-P-C4' energy: -98.459
flat angles P-C4'-P energy: -68.858
tors. eta vs tors. theta energy: -146.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1650.111626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.111626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.111626 (E_RNA)
where:
Base-Base interactions energy: -1176.137
where: short stacking energy: -479.435
Base-Backbone interact. energy: -2.375
local terms energy: -471.599602
where:
bonds (distance) C4'-P energy: -83.158
bonds (distance) P-C4' energy: -78.692
flat angles C4'-P-C4' energy: -94.953
flat angles P-C4'-P energy: -75.356
tors. eta vs tors. theta energy: -139.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1600.479315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.479315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.479315 (E_RNA)
where:
Base-Base interactions energy: -1127.508
where: short stacking energy: -472.869
Base-Backbone interact. energy: 2.801
local terms energy: -475.772255
where:
bonds (distance) C4'-P energy: -85.767
bonds (distance) P-C4' energy: -82.326
flat angles C4'-P-C4' energy: -97.575
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -131.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1439.823489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.823489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.823489 (E_RNA)
where:
Base-Base interactions energy: -1009.510
where: short stacking energy: -426.519
Base-Backbone interact. energy: -1.233
local terms energy: -429.080282
where:
bonds (distance) C4'-P energy: -64.957
bonds (distance) P-C4' energy: -92.602
flat angles C4'-P-C4' energy: -88.107
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -121.828
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: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1180.801738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.801738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.801738 (E_RNA)
where:
Base-Base interactions energy: -795.881
where: short stacking energy: -342.633
Base-Backbone interact. energy: -0.563
local terms energy: -384.357975
where:
bonds (distance) C4'-P energy: -75.964
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -103.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -913.489755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.489755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.489755 (E_RNA)
where:
Base-Base interactions energy: -579.942
where: short stacking energy: -276.738
Base-Backbone interact. energy: -2.837
local terms energy: -330.711071
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -91.984
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -55.200
tors. eta vs tors. theta energy: -46.478
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: 467
Temperature: 1.350000
Total energy: -677.202960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.202960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.202960 (E_RNA)
where:
Base-Base interactions energy: -381.725
where: short stacking energy: -194.123
Base-Backbone interact. energy: -2.610
local terms energy: -292.867918
where:
bonds (distance) C4'-P energy: -72.674
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -69.384
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -12.542
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: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1829.514137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.514137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.514137 (E_RNA)
where:
Base-Base interactions energy: -1281.629
where: short stacking energy: -531.128
Base-Backbone interact. energy: -1.876
local terms energy: -546.009583
where:
bonds (distance) C4'-P energy: -89.137
bonds (distance) P-C4' energy: -100.725
flat angles C4'-P-C4' energy: -122.006
flat angles P-C4'-P energy: -83.582
tors. eta vs tors. theta energy: -150.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1793.023061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.023061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.023061 (E_RNA)
where:
Base-Base interactions energy: -1278.752
where: short stacking energy: -538.070
Base-Backbone interact. energy: -2.763
local terms energy: -511.507231
where:
bonds (distance) C4'-P energy: -83.797
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -115.755
flat angles P-C4'-P energy: -66.533
tors. eta vs tors. theta energy: -148.526
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: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1738.958722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.958722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.958722 (E_RNA)
where:
Base-Base interactions energy: -1218.429
where: short stacking energy: -506.983
Base-Backbone interact. energy: -2.209
local terms energy: -518.319926
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -84.630
flat angles C4'-P-C4' energy: -100.260
flat angles P-C4'-P energy: -83.129
tors. eta vs tors. theta energy: -156.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1697.350499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.350499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.350499 (E_RNA)
where:
Base-Base interactions energy: -1195.509
where: short stacking energy: -492.856
Base-Backbone interact. energy: -3.288
local terms energy: -498.553248
where:
bonds (distance) C4'-P energy: -95.064
bonds (distance) P-C4' energy: -98.850
flat angles C4'-P-C4' energy: -106.137
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -132.406
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: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1656.488938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.488938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.488938 (E_RNA)
where:
Base-Base interactions energy: -1156.561
where: short stacking energy: -452.167
Base-Backbone interact. energy: 2.218
local terms energy: -502.145996
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -96.582
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -68.792
tors. eta vs tors. theta energy: -143.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1606.125032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.125032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.125032 (E_RNA)
where:
Base-Base interactions energy: -1121.583
where: short stacking energy: -453.501
Base-Backbone interact. energy: -0.127
local terms energy: -484.414321
where:
bonds (distance) C4'-P energy: -97.409
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -110.074
flat angles P-C4'-P energy: -68.306
tors. eta vs tors. theta energy: -123.099
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: 468
Temperature: 1.200000
Total energy: -1467.072489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.072489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.072489 (E_RNA)
where:
Base-Base interactions energy: -1025.638
where: short stacking energy: -398.942
Base-Backbone interact. energy: -1.896
local terms energy: -439.538228
where:
bonds (distance) C4'-P energy: -78.609
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -96.450
flat angles P-C4'-P energy: -59.405
tors. eta vs tors. theta energy: -115.825
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: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1142.484829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.484829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.484829 (E_RNA)
where:
Base-Base interactions energy: -760.275
where: short stacking energy: -328.398
Base-Backbone interact. energy: -0.903
local terms energy: -381.307112
where:
bonds (distance) C4'-P energy: -75.007
bonds (distance) P-C4' energy: -81.681
flat angles C4'-P-C4' energy: -81.557
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -91.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -843.180391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.180391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.180391 (E_RNA)
where:
Base-Base interactions energy: -514.063
where: short stacking energy: -247.137
Base-Backbone interact. energy: -1.843
local terms energy: -327.274681
where:
bonds (distance) C4'-P energy: -82.412
bonds (distance) P-C4' energy: -85.311
flat angles C4'-P-C4' energy: -81.732
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -37.742
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: 468
Temperature: 1.350000
Total energy: -701.656233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.656233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.656233 (E_RNA)
where:
Base-Base interactions energy: -437.618
where: short stacking energy: -211.330
Base-Backbone interact. energy: -2.643
local terms energy: -261.395065
where:
bonds (distance) C4'-P energy: -59.041
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -32.825
tors. eta vs tors. theta energy: -29.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1832.105501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.105501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.105501 (E_RNA)
where:
Base-Base interactions energy: -1279.565
where: short stacking energy: -550.830
Base-Backbone interact. energy: -1.674
local terms energy: -550.866345
where:
bonds (distance) C4'-P energy: -108.215
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -112.620
flat angles P-C4'-P energy: -68.198
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: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1777.698084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.698084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.698084 (E_RNA)
where:
Base-Base interactions energy: -1259.371
where: short stacking energy: -519.617
Base-Backbone interact. energy: -0.780
local terms energy: -517.547108
where:
bonds (distance) C4'-P energy: -91.699
bonds (distance) P-C4' energy: -98.979
flat angles C4'-P-C4' energy: -107.194
flat angles P-C4'-P energy: -67.767
tors. eta vs tors. theta energy: -151.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1724.957332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.957332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.957332 (E_RNA)
where:
Base-Base interactions energy: -1221.100
where: short stacking energy: -514.911
Base-Backbone interact. energy: -0.260
local terms energy: -503.597283
where:
bonds (distance) C4'-P energy: -82.481
bonds (distance) P-C4' energy: -85.613
flat angles C4'-P-C4' energy: -111.837
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -151.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1669.737172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.737172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.737172 (E_RNA)
where:
Base-Base interactions energy: -1172.034
where: short stacking energy: -472.842
Base-Backbone interact. energy: -1.998
local terms energy: -495.705292
where:
bonds (distance) C4'-P energy: -89.438
bonds (distance) P-C4' energy: -94.010
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -68.484
tors. eta vs tors. theta energy: -135.522
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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1655.618156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.618156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.618156 (E_RNA)
where:
Base-Base interactions energy: -1169.941
where: short stacking energy: -480.998
Base-Backbone interact. energy: -2.046
local terms energy: -483.630980
where:
bonds (distance) C4'-P energy: -83.615
bonds (distance) P-C4' energy: -86.665
flat angles C4'-P-C4' energy: -106.685
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -138.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1556.796671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.796671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.796671 (E_RNA)
where:
Base-Base interactions energy: -1122.179
where: short stacking energy: -458.059
Base-Backbone interact. energy: 5.176
local terms energy: -439.794284
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -65.934
flat angles C4'-P-C4' energy: -109.882
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -124.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1463.970332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.970332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.970332 (E_RNA)
where:
Base-Base interactions energy: -1027.394
where: short stacking energy: -415.946
Base-Backbone interact. energy: -2.081
local terms energy: -434.495475
where:
bonds (distance) C4'-P energy: -74.817
bonds (distance) P-C4' energy: -84.333
flat angles C4'-P-C4' energy: -95.606
flat angles P-C4'-P energy: -65.385
tors. eta vs tors. theta energy: -114.355
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: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1161.731319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.731319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.731319 (E_RNA)
where:
Base-Base interactions energy: -772.338
where: short stacking energy: -340.248
Base-Backbone interact. energy: 0.325
local terms energy: -389.718592
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -97.203
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -81.623
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: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -887.309687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.309687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.309687 (E_RNA)
where:
Base-Base interactions energy: -556.708
where: short stacking energy: -270.055
Base-Backbone interact. energy: -2.385
local terms energy: -328.217107
where:
bonds (distance) C4'-P energy: -78.539
bonds (distance) P-C4' energy: -83.602
flat angles C4'-P-C4' energy: -75.293
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: -45.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -788.010737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.010737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.010737 (E_RNA)
where:
Base-Base interactions energy: -499.322
where: short stacking energy: -252.894
Base-Backbone interact. energy: 1.802
local terms energy: -290.491347
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -86.938
flat angles C4'-P-C4' energy: -67.596
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -46.623
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: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1802.540318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.540318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.540318 (E_RNA)
where:
Base-Base interactions energy: -1262.958
where: short stacking energy: -526.009
Base-Backbone interact. energy: -0.392
local terms energy: -539.190643
where:
bonds (distance) C4'-P energy: -88.878
bonds (distance) P-C4' energy: -111.323
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -151.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1787.457446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.457446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.457446 (E_RNA)
where:
Base-Base interactions energy: -1262.453
where: short stacking energy: -540.247
Base-Backbone interact. energy: -1.369
local terms energy: -523.636091
where:
bonds (distance) C4'-P energy: -97.420
bonds (distance) P-C4' energy: -95.679
flat angles C4'-P-C4' energy: -108.328
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -154.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1736.835284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.835284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.835284 (E_RNA)
where:
Base-Base interactions energy: -1202.184
where: short stacking energy: -515.017
Base-Backbone interact. energy: -1.682
local terms energy: -532.969439
where:
bonds (distance) C4'-P energy: -91.738
bonds (distance) P-C4' energy: -104.763
flat angles C4'-P-C4' energy: -112.461
flat angles P-C4'-P energy: -75.222
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1660.044485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.044485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.044485 (E_RNA)
where:
Base-Base interactions energy: -1152.804
where: short stacking energy: -473.937
Base-Backbone interact. energy: -2.173
local terms energy: -505.067220
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -76.414
flat angles C4'-P-C4' energy: -110.328
flat angles P-C4'-P energy: -86.454
tors. eta vs tors. theta energy: -135.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1635.593512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.593512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.593512 (E_RNA)
where:
Base-Base interactions energy: -1157.454
where: short stacking energy: -451.079
Base-Backbone interact. energy: -1.685
local terms energy: -476.454944
where:
bonds (distance) C4'-P energy: -89.916
bonds (distance) P-C4' energy: -82.339
flat angles C4'-P-C4' energy: -112.378
flat angles P-C4'-P energy: -71.661
tors. eta vs tors. theta energy: -120.161
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: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1571.014486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.014486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.014486 (E_RNA)
where:
Base-Base interactions energy: -1125.769
where: short stacking energy: -448.739
Base-Backbone interact. energy: -0.121
local terms energy: -445.124553
where:
bonds (distance) C4'-P energy: -83.858
bonds (distance) P-C4' energy: -77.386
flat angles C4'-P-C4' energy: -106.928
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -121.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1517.858910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.858910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.858910 (E_RNA)
where:
Base-Base interactions energy: -1049.709
where: short stacking energy: -462.845
Base-Backbone interact. energy: 2.719
local terms energy: -470.868224
where:
bonds (distance) C4'-P energy: -90.557
bonds (distance) P-C4' energy: -91.482
flat angles C4'-P-C4' energy: -101.602
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: -130.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1206.733586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.733586 (E_RNA)
where:
Base-Base interactions energy: -809.305
where: short stacking energy: -341.151
Base-Backbone interact. energy: 1.783
local terms energy: -399.211860
where:
bonds (distance) C4'-P energy: -73.310
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -80.541
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -102.770
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: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -747.229439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.229439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.229439 (E_RNA)
where:
Base-Base interactions energy: -450.959
where: short stacking energy: -233.005
Base-Backbone interact. energy: -1.454
local terms energy: -294.816984
where:
bonds (distance) C4'-P energy: -64.559
bonds (distance) P-C4' energy: -67.487
flat angles C4'-P-C4' energy: -83.488
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -31.315
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: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -830.917743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.917743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.917743 (E_RNA)
where:
Base-Base interactions energy: -524.830
where: short stacking energy: -248.171
Base-Backbone interact. energy: 1.920
local terms energy: -308.007675
where:
bonds (distance) C4'-P energy: -81.130
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -35.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1824.338742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.338742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.338742 (E_RNA)
where:
Base-Base interactions energy: -1271.989
where: short stacking energy: -539.440
Base-Backbone interact. energy: -4.093
local terms energy: -548.255832
where:
bonds (distance) C4'-P energy: -107.307
bonds (distance) P-C4' energy: -95.256
flat angles C4'-P-C4' energy: -112.073
flat angles P-C4'-P energy: -79.200
tors. eta vs tors. theta energy: -154.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1798.965785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.965785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.965785 (E_RNA)
where:
Base-Base interactions energy: -1264.654
where: short stacking energy: -528.121
Base-Backbone interact. energy: -1.909
local terms energy: -532.403575
where:
bonds (distance) C4'-P energy: -97.591
bonds (distance) P-C4' energy: -93.877
flat angles C4'-P-C4' energy: -114.170
flat angles P-C4'-P energy: -72.324
tors. eta vs tors. theta energy: -154.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1719.453079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.453079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.453079 (E_RNA)
where:
Base-Base interactions energy: -1208.441
where: short stacking energy: -508.114
Base-Backbone interact. energy: -0.571
local terms energy: -510.441505
where:
bonds (distance) C4'-P energy: -93.282
bonds (distance) P-C4' energy: -86.166
flat angles C4'-P-C4' energy: -109.373
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -152.653
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: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1682.276303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.276303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.276303 (E_RNA)
where:
Base-Base interactions energy: -1192.269
where: short stacking energy: -472.939
Base-Backbone interact. energy: -2.092
local terms energy: -487.915151
where:
bonds (distance) C4'-P energy: -84.962
bonds (distance) P-C4' energy: -86.843
flat angles C4'-P-C4' energy: -109.350
flat angles P-C4'-P energy: -63.379
tors. eta vs tors. theta energy: -143.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1652.289154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.289154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.289154 (E_RNA)
where:
Base-Base interactions energy: -1157.010
where: short stacking energy: -473.298
Base-Backbone interact. energy: -1.236
local terms energy: -494.042906
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -87.606
flat angles C4'-P-C4' energy: -113.243
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -134.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1557.988581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.988581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.988581 (E_RNA)
where:
Base-Base interactions energy: -1104.589
where: short stacking energy: -450.437
Base-Backbone interact. energy: -1.590
local terms energy: -451.809436
where:
bonds (distance) C4'-P energy: -76.780
bonds (distance) P-C4' energy: -79.947
flat angles C4'-P-C4' energy: -96.647
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -130.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1461.639462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.639462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.639462 (E_RNA)
where:
Base-Base interactions energy: -1014.005
where: short stacking energy: -432.265
Base-Backbone interact. energy: -1.382
local terms energy: -446.253159
where:
bonds (distance) C4'-P energy: -76.580
bonds (distance) P-C4' energy: -84.652
flat angles C4'-P-C4' energy: -92.527
flat angles P-C4'-P energy: -61.683
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: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1205.059900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.059900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.059900 (E_RNA)
where:
Base-Base interactions energy: -782.944
where: short stacking energy: -360.618
Base-Backbone interact. energy: -0.390
local terms energy: -421.726062
where:
bonds (distance) C4'-P energy: -71.097
bonds (distance) P-C4' energy: -85.139
flat angles C4'-P-C4' energy: -98.163
flat angles P-C4'-P energy: -60.491
tors. eta vs tors. theta energy: -106.835
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -774.557948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.557948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.557948 (E_RNA)
where:
Base-Base interactions energy: -449.794
where: short stacking energy: -224.572
Base-Backbone interact. energy: -0.387
local terms energy: -324.376299
where:
bonds (distance) C4'-P energy: -63.093
bonds (distance) P-C4' energy: -81.814
flat angles C4'-P-C4' energy: -89.537
flat angles P-C4'-P energy: -49.325
tors. eta vs tors. theta energy: -40.608
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: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -845.402041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.402041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.402041 (E_RNA)
where:
Base-Base interactions energy: -510.488
where: short stacking energy: -233.116
Base-Backbone interact. energy: -1.927
local terms energy: -332.986849
where:
bonds (distance) C4'-P energy: -85.158
bonds (distance) P-C4' energy: -84.008
flat angles C4'-P-C4' energy: -66.750
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -49.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1835.201414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.201414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.201414 (E_RNA)
where:
Base-Base interactions energy: -1303.476
where: short stacking energy: -539.118
Base-Backbone interact. energy: -3.049
local terms energy: -528.675685
where:
bonds (distance) C4'-P energy: -90.551
bonds (distance) P-C4' energy: -99.737
flat angles C4'-P-C4' energy: -112.002
flat angles P-C4'-P energy: -72.197
tors. eta vs tors. theta energy: -154.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1796.448715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.448715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.448715 (E_RNA)
where:
Base-Base interactions energy: -1272.304
where: short stacking energy: -531.327
Base-Backbone interact. energy: -2.592
local terms energy: -521.552923
where:
bonds (distance) C4'-P energy: -72.553
bonds (distance) P-C4' energy: -108.160
flat angles C4'-P-C4' energy: -103.264
flat angles P-C4'-P energy: -82.910
tors. eta vs tors. theta energy: -154.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1730.320040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.320040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.320040 (E_RNA)
where:
Base-Base interactions energy: -1209.799
where: short stacking energy: -528.653
Base-Backbone interact. energy: -1.971
local terms energy: -518.549756
where:
bonds (distance) C4'-P energy: -99.059
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -80.023
tors. eta vs tors. theta energy: -149.159
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1689.680852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.680852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.680852 (E_RNA)
where:
Base-Base interactions energy: -1206.117
where: short stacking energy: -489.721
Base-Backbone interact. energy: -2.952
local terms energy: -480.611520
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -76.888
flat angles C4'-P-C4' energy: -101.364
flat angles P-C4'-P energy: -78.860
tors. eta vs tors. theta energy: -134.504
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: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1646.820015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.820015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.820015 (E_RNA)
where:
Base-Base interactions energy: -1157.214
where: short stacking energy: -476.621
Base-Backbone interact. energy: -0.803
local terms energy: -488.802902
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -103.510
flat angles P-C4'-P energy: -72.966
tors. eta vs tors. theta energy: -141.587
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: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1543.176629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.176629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.176629 (E_RNA)
where:
Base-Base interactions energy: -1095.701
where: short stacking energy: -432.990
Base-Backbone interact. energy: -2.809
local terms energy: -444.666479
where:
bonds (distance) C4'-P energy: -66.038
bonds (distance) P-C4' energy: -80.177
flat angles C4'-P-C4' energy: -113.059
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -118.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1495.578040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.578040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.578040 (E_RNA)
where:
Base-Base interactions energy: -1052.816
where: short stacking energy: -435.087
Base-Backbone interact. energy: 1.501
local terms energy: -444.262951
where:
bonds (distance) C4'-P energy: -83.433
bonds (distance) P-C4' energy: -89.153
flat angles C4'-P-C4' energy: -95.511
flat angles P-C4'-P energy: -58.446
tors. eta vs tors. theta energy: -117.720
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: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1175.910125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.910125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.910125 (E_RNA)
where:
Base-Base interactions energy: -771.508
where: short stacking energy: -330.454
Base-Backbone interact. energy: 0.012
local terms energy: -404.413703
where:
bonds (distance) C4'-P energy: -86.788
bonds (distance) P-C4' energy: -76.847
flat angles C4'-P-C4' energy: -91.995
flat angles P-C4'-P energy: -59.272
tors. eta vs tors. theta energy: -89.512
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: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -897.358281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.358281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.358281 (E_RNA)
where:
Base-Base interactions energy: -563.472
where: short stacking energy: -264.097
Base-Backbone interact. energy: -1.416
local terms energy: -332.469679
where:
bonds (distance) C4'-P energy: -73.696
bonds (distance) P-C4' energy: -73.078
flat angles C4'-P-C4' energy: -77.645
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: -53.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -749.353264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.353264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.353264 (E_RNA)
where:
Base-Base interactions energy: -433.462
where: short stacking energy: -204.525
Base-Backbone interact. energy: -1.437
local terms energy: -314.454476
where:
bonds (distance) C4'-P energy: -81.837
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -72.148
flat angles P-C4'-P energy: -57.638
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1826.201094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.201094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.201094 (E_RNA)
where:
Base-Base interactions energy: -1270.675
where: short stacking energy: -512.368
Base-Backbone interact. energy: -1.100
local terms energy: -554.426091
where:
bonds (distance) C4'-P energy: -104.376
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -115.836
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -147.930
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: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1763.688435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.688435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.688435 (E_RNA)
where:
Base-Base interactions energy: -1234.691
where: short stacking energy: -515.539
Base-Backbone interact. energy: -2.721
local terms energy: -526.276017
where:
bonds (distance) C4'-P energy: -92.148
bonds (distance) P-C4' energy: -93.656
flat angles C4'-P-C4' energy: -110.134
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -157.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1737.765255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.765255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.765255 (E_RNA)
where:
Base-Base interactions energy: -1224.681
where: short stacking energy: -512.139
Base-Backbone interact. energy: -3.693
local terms energy: -509.391176
where:
bonds (distance) C4'-P energy: -80.253
bonds (distance) P-C4' energy: -97.693
flat angles C4'-P-C4' energy: -111.548
flat angles P-C4'-P energy: -74.282
tors. eta vs tors. theta energy: -145.617
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: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1715.588083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.588083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.588083 (E_RNA)
where:
Base-Base interactions energy: -1191.246
where: short stacking energy: -497.433
Base-Backbone interact. energy: -3.190
local terms energy: -521.152965
where:
bonds (distance) C4'-P energy: -87.111
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -107.028
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: -151.909
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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1619.961579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.961579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.961579 (E_RNA)
where:
Base-Base interactions energy: -1121.191
where: short stacking energy: -472.469
Base-Backbone interact. energy: -3.918
local terms energy: -494.851971
where:
bonds (distance) C4'-P energy: -95.500
bonds (distance) P-C4' energy: -87.226
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -72.298
tors. eta vs tors. theta energy: -141.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1553.694309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.694309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.694309 (E_RNA)
where:
Base-Base interactions energy: -1091.116
where: short stacking energy: -454.151
Base-Backbone interact. energy: -2.495
local terms energy: -460.083168
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -93.018
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -126.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1471.787614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.787614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.787614 (E_RNA)
where:
Base-Base interactions energy: -1050.930
where: short stacking energy: -431.290
Base-Backbone interact. energy: -2.326
local terms energy: -418.531609
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -84.232
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -111.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1207.172324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.172324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.172324 (E_RNA)
where:
Base-Base interactions energy: -788.777
where: short stacking energy: -350.788
Base-Backbone interact. energy: 0.292
local terms energy: -418.688048
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -84.550
flat angles C4'-P-C4' energy: -96.432
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -88.382
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: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -880.321441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.321441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.321441 (E_RNA)
where:
Base-Base interactions energy: -562.844
where: short stacking energy: -243.406
Base-Backbone interact. energy: -1.456
local terms energy: -316.020832
where:
bonds (distance) C4'-P energy: -63.636
bonds (distance) P-C4' energy: -85.555
flat angles C4'-P-C4' energy: -79.692
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -43.367
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: 473
Temperature: 1.350000
Total energy: -749.724475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.724475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.724475 (E_RNA)
where:
Base-Base interactions energy: -433.828
where: short stacking energy: -220.412
Base-Backbone interact. energy: -1.447
local terms energy: -314.449459
where:
bonds (distance) C4'-P energy: -72.797
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -87.278
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1846.315279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.315279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.315279 (E_RNA)
where:
Base-Base interactions energy: -1312.153
where: short stacking energy: -535.875
Base-Backbone interact. energy: 2.663
local terms energy: -536.826043
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -108.055
flat angles P-C4'-P energy: -79.481
tors. eta vs tors. theta energy: -147.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1808.654295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.654295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.654295 (E_RNA)
where:
Base-Base interactions energy: -1286.454
where: short stacking energy: -527.830
Base-Backbone interact. energy: -4.370
local terms energy: -517.829755
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -92.113
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -149.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1749.109705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.109705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.109705 (E_RNA)
where:
Base-Base interactions energy: -1228.526
where: short stacking energy: -522.737
Base-Backbone interact. energy: -1.903
local terms energy: -518.681169
where:
bonds (distance) C4'-P energy: -92.069
bonds (distance) P-C4' energy: -92.531
flat angles C4'-P-C4' energy: -114.016
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -148.862
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: 474
Temperature: 1.050000
Total energy: -1720.980590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.980590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.980590 (E_RNA)
where:
Base-Base interactions energy: -1226.958
where: short stacking energy: -522.442
Base-Backbone interact. energy: -2.152
local terms energy: -491.870223
where:
bonds (distance) C4'-P energy: -86.008
bonds (distance) P-C4' energy: -82.827
flat angles C4'-P-C4' energy: -108.696
flat angles P-C4'-P energy: -69.006
tors. eta vs tors. theta energy: -145.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1602.892094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.892094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.892094 (E_RNA)
where:
Base-Base interactions energy: -1155.945
where: short stacking energy: -454.535
Base-Backbone interact. energy: 4.648
local terms energy: -451.594963
where:
bonds (distance) C4'-P energy: -81.491
bonds (distance) P-C4' energy: -76.368
flat angles C4'-P-C4' energy: -102.926
flat angles P-C4'-P energy: -63.765
tors. eta vs tors. theta energy: -127.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1602.884536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.884536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.884536 (E_RNA)
where:
Base-Base interactions energy: -1155.926
where: short stacking energy: -475.967
Base-Backbone interact. energy: -0.922
local terms energy: -446.037111
where:
bonds (distance) C4'-P energy: -90.737
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -95.044
flat angles P-C4'-P energy: -65.309
tors. eta vs tors. theta energy: -128.260
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: 474
Temperature: 1.200000
Total energy: -1428.949726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.949726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.949726 (E_RNA)
where:
Base-Base interactions energy: -1008.500
where: short stacking energy: -411.564
Base-Backbone interact. energy: -1.711
local terms energy: -418.738644
where:
bonds (distance) C4'-P energy: -81.201
bonds (distance) P-C4' energy: -90.088
flat angles C4'-P-C4' energy: -91.032
flat angles P-C4'-P energy: -44.655
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: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1262.484503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.484503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.484503 (E_RNA)
where:
Base-Base interactions energy: -845.845
where: short stacking energy: -373.536
Base-Backbone interact. energy: 1.493
local terms energy: -418.132250
where:
bonds (distance) C4'-P energy: -84.505
bonds (distance) P-C4' energy: -91.871
flat angles C4'-P-C4' energy: -86.444
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -102.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -921.745342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.745342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.745342 (E_RNA)
where:
Base-Base interactions energy: -583.151
where: short stacking energy: -241.485
Base-Backbone interact. energy: -2.106
local terms energy: -336.488002
where:
bonds (distance) C4'-P energy: -83.401
bonds (distance) P-C4' energy: -82.648
flat angles C4'-P-C4' energy: -82.710
flat angles P-C4'-P energy: -47.957
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -708.456549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.456549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.456549 (E_RNA)
where:
Base-Base interactions energy: -415.558
where: short stacking energy: -200.617
Base-Backbone interact. energy: 0.882
local terms energy: -293.780593
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -93.286
flat angles C4'-P-C4' energy: -70.898
flat angles P-C4'-P energy: -43.008
tors. eta vs tors. theta energy: -19.622
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: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1834.142372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.142372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.142372 (E_RNA)
where:
Base-Base interactions energy: -1301.454
where: short stacking energy: -512.926
Base-Backbone interact. energy: 1.342
local terms energy: -534.030628
where:
bonds (distance) C4'-P energy: -90.242
bonds (distance) P-C4' energy: -95.710
flat angles C4'-P-C4' energy: -114.502
flat angles P-C4'-P energy: -82.885
tors. eta vs tors. theta energy: -150.691
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1778.658166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.658166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.658166 (E_RNA)
where:
Base-Base interactions energy: -1235.345
where: short stacking energy: -511.286
Base-Backbone interact. energy: -2.598
local terms energy: -540.715145
where:
bonds (distance) C4'-P energy: -101.595
bonds (distance) P-C4' energy: -98.732
flat angles C4'-P-C4' energy: -115.558
flat angles P-C4'-P energy: -83.075
tors. eta vs tors. theta energy: -141.755
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: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1757.154922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.154922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.154922 (E_RNA)
where:
Base-Base interactions energy: -1240.021
where: short stacking energy: -509.709
Base-Backbone interact. energy: -1.705
local terms energy: -515.428802
where:
bonds (distance) C4'-P energy: -92.763
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -112.474
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: -149.581
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1689.017943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.017943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.017943 (E_RNA)
where:
Base-Base interactions energy: -1187.562
where: short stacking energy: -478.510
Base-Backbone interact. energy: -1.080
local terms energy: -500.375559
where:
bonds (distance) C4'-P energy: -94.539
bonds (distance) P-C4' energy: -98.369
flat angles C4'-P-C4' energy: -106.956
flat angles P-C4'-P energy: -58.754
tors. eta vs tors. theta energy: -141.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1633.966372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.966372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.966372 (E_RNA)
where:
Base-Base interactions energy: -1148.091
where: short stacking energy: -453.320
Base-Backbone interact. energy: -0.959
local terms energy: -484.916381
where:
bonds (distance) C4'-P energy: -90.149
bonds (distance) P-C4' energy: -96.710
flat angles C4'-P-C4' energy: -98.541
flat angles P-C4'-P energy: -71.232
tors. eta vs tors. theta energy: -128.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1595.093848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.093848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.093848 (E_RNA)
where:
Base-Base interactions energy: -1121.184
where: short stacking energy: -458.082
Base-Backbone interact. energy: -0.272
local terms energy: -473.637699
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -86.063
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -68.407
tors. eta vs tors. theta energy: -129.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1461.320792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.320792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.320792 (E_RNA)
where:
Base-Base interactions energy: -1046.590
where: short stacking energy: -410.300
Base-Backbone interact. energy: 3.322
local terms energy: -418.053029
where:
bonds (distance) C4'-P energy: -64.563
bonds (distance) P-C4' energy: -83.787
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -65.789
tors. eta vs tors. theta energy: -112.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1235.590211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.590211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.590211 (E_RNA)
where:
Base-Base interactions energy: -833.906
where: short stacking energy: -377.281
Base-Backbone interact. energy: 1.888
local terms energy: -403.572393
where:
bonds (distance) C4'-P energy: -63.194
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -99.566
flat angles P-C4'-P energy: -56.860
tors. eta vs tors. theta energy: -97.899
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: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -984.955415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.955415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.955415 (E_RNA)
where:
Base-Base interactions energy: -639.873
where: short stacking energy: -307.548
Base-Backbone interact. energy: -0.036
local terms energy: -345.046046
where:
bonds (distance) C4'-P energy: -80.534
bonds (distance) P-C4' energy: -74.419
flat angles C4'-P-C4' energy: -88.597
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -55.980
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: 475
Temperature: 1.350000
Total energy: -703.471353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.471353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.471353 (E_RNA)
where:
Base-Base interactions energy: -413.883
where: short stacking energy: -216.197
Base-Backbone interact. energy: -0.025
local terms energy: -289.563284
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -85.113
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -48.155
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1830.273707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.273707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.273707 (E_RNA)
where:
Base-Base interactions energy: -1290.612
where: short stacking energy: -545.351
Base-Backbone interact. energy: -2.550
local terms energy: -537.112053
where:
bonds (distance) C4'-P energy: -88.184
bonds (distance) P-C4' energy: -99.015
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -156.369
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1787.940526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.940526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.940526 (E_RNA)
where:
Base-Base interactions energy: -1263.027
where: short stacking energy: -522.728
Base-Backbone interact. energy: -0.606
local terms energy: -524.307373
where:
bonds (distance) C4'-P energy: -100.212
bonds (distance) P-C4' energy: -93.013
flat angles C4'-P-C4' energy: -104.074
flat angles P-C4'-P energy: -80.730
tors. eta vs tors. theta energy: -146.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1728.906585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.906585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.906585 (E_RNA)
where:
Base-Base interactions energy: -1215.008
where: short stacking energy: -501.258
Base-Backbone interact. energy: -0.969
local terms energy: -512.929343
where:
bonds (distance) C4'-P energy: -96.503
bonds (distance) P-C4' energy: -88.066
flat angles C4'-P-C4' energy: -114.197
flat angles P-C4'-P energy: -68.246
tors. eta vs tors. theta energy: -145.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1725.223763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.223763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.223763 (E_RNA)
where:
Base-Base interactions energy: -1209.475
where: short stacking energy: -514.916
Base-Backbone interact. energy: -1.922
local terms energy: -513.826377
where:
bonds (distance) C4'-P energy: -91.730
bonds (distance) P-C4' energy: -89.621
flat angles C4'-P-C4' energy: -110.457
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -143.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1604.914453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.914453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.914453 (E_RNA)
where:
Base-Base interactions energy: -1150.874
where: short stacking energy: -458.898
Base-Backbone interact. energy: -3.020
local terms energy: -451.019823
where:
bonds (distance) C4'-P energy: -72.342
bonds (distance) P-C4' energy: -85.041
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -68.035
tors. eta vs tors. theta energy: -125.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1624.780525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.780525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.780525 (E_RNA)
where:
Base-Base interactions energy: -1140.531
where: short stacking energy: -454.420
Base-Backbone interact. energy: -2.121
local terms energy: -482.129149
where:
bonds (distance) C4'-P energy: -78.737
bonds (distance) P-C4' energy: -86.926
flat angles C4'-P-C4' energy: -105.596
flat angles P-C4'-P energy: -78.407
tors. eta vs tors. theta energy: -132.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1407.067028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.067028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.067028 (E_RNA)
where:
Base-Base interactions energy: -995.217
where: short stacking energy: -404.609
Base-Backbone interact. energy: 3.329
local terms energy: -415.179285
where:
bonds (distance) C4'-P energy: -86.215
bonds (distance) P-C4' energy: -74.101
flat angles C4'-P-C4' energy: -97.520
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -109.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1261.015623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.015623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.015623 (E_RNA)
where:
Base-Base interactions energy: -823.183
where: short stacking energy: -366.742
Base-Backbone interact. energy: -0.150
local terms energy: -437.682632
where:
bonds (distance) C4'-P energy: -94.510
bonds (distance) P-C4' energy: -86.016
flat angles C4'-P-C4' energy: -92.828
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -95.955
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: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1019.708968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.708968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.708968 (E_RNA)
where:
Base-Base interactions energy: -694.656
where: short stacking energy: -322.257
Base-Backbone interact. energy: -1.721
local terms energy: -323.332044
where:
bonds (distance) C4'-P energy: -74.425
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -71.508
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -68.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -698.436319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.436319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.436319 (E_RNA)
where:
Base-Base interactions energy: -401.199
where: short stacking energy: -186.377
Base-Backbone interact. energy: 0.921
local terms energy: -298.158739
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -75.335
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -12.127
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: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1840.304907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.304907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.304907 (E_RNA)
where:
Base-Base interactions energy: -1296.638
where: short stacking energy: -548.140
Base-Backbone interact. energy: -1.458
local terms energy: -542.209088
where:
bonds (distance) C4'-P energy: -85.600
bonds (distance) P-C4' energy: -95.785
flat angles C4'-P-C4' energy: -117.453
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -158.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1800.667698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.667698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.667698 (E_RNA)
where:
Base-Base interactions energy: -1263.461
where: short stacking energy: -536.667
Base-Backbone interact. energy: 1.527
local terms energy: -538.733340
where:
bonds (distance) C4'-P energy: -102.724
bonds (distance) P-C4' energy: -89.216
flat angles C4'-P-C4' energy: -118.790
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -157.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1724.479638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.479638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.479638 (E_RNA)
where:
Base-Base interactions energy: -1242.861
where: short stacking energy: -515.482
Base-Backbone interact. energy: -2.508
local terms energy: -479.110180
where:
bonds (distance) C4'-P energy: -71.705
bonds (distance) P-C4' energy: -83.031
flat angles C4'-P-C4' energy: -112.045
flat angles P-C4'-P energy: -70.094
tors. eta vs tors. theta energy: -142.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1708.101829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.101829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.101829 (E_RNA)
where:
Base-Base interactions energy: -1226.895
where: short stacking energy: -506.732
Base-Backbone interact. energy: -0.336
local terms energy: -480.870463
where:
bonds (distance) C4'-P energy: -80.232
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -107.536
flat angles P-C4'-P energy: -71.791
tors. eta vs tors. theta energy: -136.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1655.117726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.117726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.117726 (E_RNA)
where:
Base-Base interactions energy: -1154.885
where: short stacking energy: -484.288
Base-Backbone interact. energy: -2.464
local terms energy: -497.768459
where:
bonds (distance) C4'-P energy: -91.999
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -70.036
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: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1629.926681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.926681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.926681 (E_RNA)
where:
Base-Base interactions energy: -1184.723
where: short stacking energy: -497.883
Base-Backbone interact. energy: 1.906
local terms energy: -447.109570
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -96.861
flat angles P-C4'-P energy: -60.578
tors. eta vs tors. theta energy: -134.637
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: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1448.447243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.447243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.447243 (E_RNA)
where:
Base-Base interactions energy: -999.254
where: short stacking energy: -402.318
Base-Backbone interact. energy: -1.166
local terms energy: -448.026940
where:
bonds (distance) C4'-P energy: -92.868
bonds (distance) P-C4' energy: -91.085
flat angles C4'-P-C4' energy: -97.957
flat angles P-C4'-P energy: -54.517
tors. eta vs tors. theta energy: -111.600
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: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1229.369385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.369385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.369385 (E_RNA)
where:
Base-Base interactions energy: -843.392
where: short stacking energy: -366.472
Base-Backbone interact. energy: 0.731
local terms energy: -386.708119
where:
bonds (distance) C4'-P energy: -70.232
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -83.679
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -100.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -957.553227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.553227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.553227 (E_RNA)
where:
Base-Base interactions energy: -583.658
where: short stacking energy: -281.239
Base-Backbone interact. energy: -0.693
local terms energy: -373.202015
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -87.467
flat angles P-C4'-P energy: -53.100
tors. eta vs tors. theta energy: -57.684
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: 477
Temperature: 1.350000
Total energy: -735.438746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.438746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.438746 (E_RNA)
where:
Base-Base interactions energy: -429.546
where: short stacking energy: -217.532
Base-Backbone interact. energy: 2.660
local terms energy: -308.552860
where:
bonds (distance) C4'-P energy: -62.107
bonds (distance) P-C4' energy: -75.150
flat angles C4'-P-C4' energy: -82.519
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1830.499365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.499365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.499365 (E_RNA)
where:
Base-Base interactions energy: -1304.312
where: short stacking energy: -533.259
Base-Backbone interact. energy: -0.050
local terms energy: -526.136760
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -108.663
flat angles P-C4'-P energy: -71.194
tors. eta vs tors. theta energy: -158.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1797.810209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.810209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.810209 (E_RNA)
where:
Base-Base interactions energy: -1258.014
where: short stacking energy: -535.006
Base-Backbone interact. energy: -1.082
local terms energy: -538.713674
where:
bonds (distance) C4'-P energy: -87.955
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -119.034
flat angles P-C4'-P energy: -81.805
tors. eta vs tors. theta energy: -159.116
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: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1716.642845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.642845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.642845 (E_RNA)
where:
Base-Base interactions energy: -1189.878
where: short stacking energy: -503.044
Base-Backbone interact. energy: -3.034
local terms energy: -523.730812
where:
bonds (distance) C4'-P energy: -96.185
bonds (distance) P-C4' energy: -92.797
flat angles C4'-P-C4' energy: -117.705
flat angles P-C4'-P energy: -68.667
tors. eta vs tors. theta energy: -148.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1689.861221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.861221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.861221 (E_RNA)
where:
Base-Base interactions energy: -1188.083
where: short stacking energy: -486.709
Base-Backbone interact. energy: -3.921
local terms energy: -497.856743
where:
bonds (distance) C4'-P energy: -91.936
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -108.397
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -144.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1657.081409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.081409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.081409 (E_RNA)
where:
Base-Base interactions energy: -1165.363
where: short stacking energy: -480.008
Base-Backbone interact. energy: -0.707
local terms energy: -491.011720
where:
bonds (distance) C4'-P energy: -84.229
bonds (distance) P-C4' energy: -91.518
flat angles C4'-P-C4' energy: -107.971
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -141.969
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: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1603.560554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.560554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.560554 (E_RNA)
where:
Base-Base interactions energy: -1110.524
where: short stacking energy: -454.557
Base-Backbone interact. energy: -2.207
local terms energy: -490.829339
where:
bonds (distance) C4'-P energy: -85.231
bonds (distance) P-C4' energy: -96.601
flat angles C4'-P-C4' energy: -110.184
flat angles P-C4'-P energy: -65.079
tors. eta vs tors. theta energy: -133.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1417.707210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.707210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.707210 (E_RNA)
where:
Base-Base interactions energy: -1008.964
where: short stacking energy: -416.636
Base-Backbone interact. energy: -1.755
local terms energy: -406.988759
where:
bonds (distance) C4'-P energy: -72.568
bonds (distance) P-C4' energy: -71.796
flat angles C4'-P-C4' energy: -99.463
flat angles P-C4'-P energy: -51.376
tors. eta vs tors. theta energy: -111.785
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: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1263.772671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.772671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.772671 (E_RNA)
where:
Base-Base interactions energy: -846.238
where: short stacking energy: -359.133
Base-Backbone interact. energy: -1.367
local terms energy: -416.167687
where:
bonds (distance) C4'-P energy: -64.581
bonds (distance) P-C4' energy: -86.216
flat angles C4'-P-C4' energy: -94.501
flat angles P-C4'-P energy: -69.257
tors. eta vs tors. theta energy: -101.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1007.473156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.473156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.473156 (E_RNA)
where:
Base-Base interactions energy: -662.188
where: short stacking energy: -277.331
Base-Backbone interact. energy: -2.472
local terms energy: -342.812991
where:
bonds (distance) C4'-P energy: -92.844
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -78.350
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -58.388
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: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -711.762323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.762323 (E_RNA)
where:
Base-Base interactions energy: -427.259
where: short stacking energy: -213.626
Base-Backbone interact. energy: -0.915
local terms energy: -283.587553
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -83.227
flat angles C4'-P-C4' energy: -69.776
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1834.152800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.152800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.152800 (E_RNA)
where:
Base-Base interactions energy: -1291.370
where: short stacking energy: -542.869
Base-Backbone interact. energy: 1.379
local terms energy: -544.161978
where:
bonds (distance) C4'-P energy: -92.997
bonds (distance) P-C4' energy: -96.950
flat angles C4'-P-C4' energy: -111.771
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -161.124
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1790.692316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.692316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.692316 (E_RNA)
where:
Base-Base interactions energy: -1269.668
where: short stacking energy: -512.798
Base-Backbone interact. energy: -2.551
local terms energy: -518.473228
where:
bonds (distance) C4'-P energy: -89.701
bonds (distance) P-C4' energy: -91.059
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -78.912
tors. eta vs tors. theta energy: -147.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1750.080534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.080534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.080534 (E_RNA)
where:
Base-Base interactions energy: -1223.913
where: short stacking energy: -525.999
Base-Backbone interact. energy: -1.794
local terms energy: -524.373972
where:
bonds (distance) C4'-P energy: -95.530
bonds (distance) P-C4' energy: -84.800
flat angles C4'-P-C4' energy: -115.730
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -152.371
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: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1682.838580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.838580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.838580 (E_RNA)
where:
Base-Base interactions energy: -1185.059
where: short stacking energy: -498.695
Base-Backbone interact. energy: -1.634
local terms energy: -496.145791
where:
bonds (distance) C4'-P energy: -94.447
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -110.244
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -138.063
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: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1680.506671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.506671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.506671 (E_RNA)
where:
Base-Base interactions energy: -1212.094
where: short stacking energy: -493.277
Base-Backbone interact. energy: -2.955
local terms energy: -465.457057
where:
bonds (distance) C4'-P energy: -71.867
bonds (distance) P-C4' energy: -73.863
flat angles C4'-P-C4' energy: -102.439
flat angles P-C4'-P energy: -72.488
tors. eta vs tors. theta energy: -144.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1595.878493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.878493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.878493 (E_RNA)
where:
Base-Base interactions energy: -1134.341
where: short stacking energy: -456.366
Base-Backbone interact. energy: -3.551
local terms energy: -457.986930
where:
bonds (distance) C4'-P energy: -77.618
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -94.136
flat angles P-C4'-P energy: -66.218
tors. eta vs tors. theta energy: -118.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1470.414937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.414937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.414937 (E_RNA)
where:
Base-Base interactions energy: -1022.471
where: short stacking energy: -429.167
Base-Backbone interact. energy: -0.925
local terms energy: -447.018619
where:
bonds (distance) C4'-P energy: -89.504
bonds (distance) P-C4' energy: -86.430
flat angles C4'-P-C4' energy: -94.408
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: -117.444
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: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1224.960984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.960984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.960984 (E_RNA)
where:
Base-Base interactions energy: -805.266
where: short stacking energy: -354.018
Base-Backbone interact. energy: -0.743
local terms energy: -418.951774
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -89.311
flat angles C4'-P-C4' energy: -94.207
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -105.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1080.230065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.230065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.230065 (E_RNA)
where:
Base-Base interactions energy: -711.579
where: short stacking energy: -303.555
Base-Backbone interact. energy: -1.100
local terms energy: -367.551299
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -78.994
flat angles C4'-P-C4' energy: -92.263
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -71.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -667.830770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.830770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.830770 (E_RNA)
where:
Base-Base interactions energy: -355.448
where: short stacking energy: -194.890
Base-Backbone interact. energy: -0.693
local terms energy: -311.689814
where:
bonds (distance) C4'-P energy: -83.247
bonds (distance) P-C4' energy: -89.114
flat angles C4'-P-C4' energy: -75.073
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -26.925
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: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1817.491721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.491721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.491721 (E_RNA)
where:
Base-Base interactions energy: -1282.025
where: short stacking energy: -545.481
Base-Backbone interact. energy: -2.072
local terms energy: -533.395231
where:
bonds (distance) C4'-P energy: -91.397
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -113.229
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -159.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1797.534605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.534605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.534605 (E_RNA)
where:
Base-Base interactions energy: -1249.715
where: short stacking energy: -521.004
Base-Backbone interact. energy: -2.238
local terms energy: -545.581400
where:
bonds (distance) C4'-P energy: -101.143
bonds (distance) P-C4' energy: -96.458
flat angles C4'-P-C4' energy: -114.516
flat angles P-C4'-P energy: -78.834
tors. eta vs tors. theta energy: -154.631
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: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1739.409557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.409557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.409557 (E_RNA)
where:
Base-Base interactions energy: -1234.469
where: short stacking energy: -517.999
Base-Backbone interact. energy: -0.867
local terms energy: -504.073730
where:
bonds (distance) C4'-P energy: -83.688
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -115.894
flat angles P-C4'-P energy: -68.322
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: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1668.594841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.594841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.594841 (E_RNA)
where:
Base-Base interactions energy: -1197.688
where: short stacking energy: -494.743
Base-Backbone interact. energy: -0.273
local terms energy: -470.633540
where:
bonds (distance) C4'-P energy: -82.760
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -93.943
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -124.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1686.077151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.077151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.077151 (E_RNA)
where:
Base-Base interactions energy: -1166.803
where: short stacking energy: -481.651
Base-Backbone interact. energy: -2.610
local terms energy: -516.664938
where:
bonds (distance) C4'-P energy: -89.980
bonds (distance) P-C4' energy: -102.349
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -73.564
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: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1594.498858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.498858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.498858 (E_RNA)
where:
Base-Base interactions energy: -1129.173
where: short stacking energy: -442.438
Base-Backbone interact. energy: 0.268
local terms energy: -465.593371
where:
bonds (distance) C4'-P energy: -79.235
bonds (distance) P-C4' energy: -93.249
flat angles C4'-P-C4' energy: -94.249
flat angles P-C4'-P energy: -69.826
tors. eta vs tors. theta energy: -129.034
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: 480
Temperature: 1.200000
Total energy: -1485.432643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.432643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.432643 (E_RNA)
where:
Base-Base interactions energy: -1042.630
where: short stacking energy: -434.141
Base-Backbone interact. energy: 1.357
local terms energy: -444.159448
where:
bonds (distance) C4'-P energy: -87.922
bonds (distance) P-C4' energy: -78.194
flat angles C4'-P-C4' energy: -100.738
flat angles P-C4'-P energy: -56.823
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: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1227.364010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.364010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.364010 (E_RNA)
where:
Base-Base interactions energy: -865.218
where: short stacking energy: -362.564
Base-Backbone interact. energy: -2.157
local terms energy: -359.988853
where:
bonds (distance) C4'-P energy: -65.129
bonds (distance) P-C4' energy: -68.973
flat angles C4'-P-C4' energy: -87.757
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -89.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1002.051092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.051092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.051092 (E_RNA)
where:
Base-Base interactions energy: -639.317
where: short stacking energy: -280.569
Base-Backbone interact. energy: 2.009
local terms energy: -364.742411
where:
bonds (distance) C4'-P energy: -78.840
bonds (distance) P-C4' energy: -93.708
flat angles C4'-P-C4' energy: -84.501
flat angles P-C4'-P energy: -52.943
tors. eta vs tors. theta energy: -54.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -680.679044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.679044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.679044 (E_RNA)
where:
Base-Base interactions energy: -398.885
where: short stacking energy: -189.666
Base-Backbone interact. energy: -0.990
local terms energy: -280.804314
where:
bonds (distance) C4'-P energy: -87.507
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -68.737
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -21.108
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: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1798.182093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.182093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.182093 (E_RNA)
where:
Base-Base interactions energy: -1264.318
where: short stacking energy: -517.136
Base-Backbone interact. energy: -2.064
local terms energy: -531.800814
where:
bonds (distance) C4'-P energy: -109.298
bonds (distance) P-C4' energy: -109.603
flat angles C4'-P-C4' energy: -98.485
flat angles P-C4'-P energy: -67.827
tors. eta vs tors. theta energy: -146.588
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: 481
Temperature: 0.950000
Total energy: -1776.756156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.756156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.756156 (E_RNA)
where:
Base-Base interactions energy: -1269.883
where: short stacking energy: -530.619
Base-Backbone interact. energy: -2.044
local terms energy: -504.829870
where:
bonds (distance) C4'-P energy: -83.009
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -108.396
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -149.166
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: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1721.223014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.223014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.223014 (E_RNA)
where:
Base-Base interactions energy: -1206.644
where: short stacking energy: -506.307
Base-Backbone interact. energy: -1.638
local terms energy: -512.941058
where:
bonds (distance) C4'-P energy: -91.914
bonds (distance) P-C4' energy: -90.194
flat angles C4'-P-C4' energy: -113.894
flat angles P-C4'-P energy: -66.908
tors. eta vs tors. theta energy: -150.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1708.415428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.415428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.415428 (E_RNA)
where:
Base-Base interactions energy: -1198.312
where: short stacking energy: -494.389
Base-Backbone interact. energy: -0.745
local terms energy: -509.357982
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -86.228
flat angles C4'-P-C4' energy: -105.819
flat angles P-C4'-P energy: -83.365
tors. eta vs tors. theta energy: -144.156
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: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1632.447218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.447218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.447218 (E_RNA)
where:
Base-Base interactions energy: -1157.457
where: short stacking energy: -487.667
Base-Backbone interact. energy: -0.973
local terms energy: -474.017307
where:
bonds (distance) C4'-P energy: -89.555
bonds (distance) P-C4' energy: -88.304
flat angles C4'-P-C4' energy: -103.776
flat angles P-C4'-P energy: -60.315
tors. eta vs tors. theta energy: -132.066
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: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1622.550264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.550264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.550264 (E_RNA)
where:
Base-Base interactions energy: -1153.795
where: short stacking energy: -464.989
Base-Backbone interact. energy: -1.567
local terms energy: -467.188827
where:
bonds (distance) C4'-P energy: -75.757
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -97.318
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: -133.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1482.572077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.572077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.572077 (E_RNA)
where:
Base-Base interactions energy: -1058.475
where: short stacking energy: -442.638
Base-Backbone interact. energy: 3.135
local terms energy: -427.231819
where:
bonds (distance) C4'-P energy: -71.341
bonds (distance) P-C4' energy: -80.957
flat angles C4'-P-C4' energy: -95.882
flat angles P-C4'-P energy: -47.936
tors. eta vs tors. theta energy: -131.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1213.392201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.392201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.392201 (E_RNA)
where:
Base-Base interactions energy: -805.931
where: short stacking energy: -364.246
Base-Backbone interact. energy: -1.819
local terms energy: -405.642461
where:
bonds (distance) C4'-P energy: -56.645
bonds (distance) P-C4' energy: -90.692
flat angles C4'-P-C4' energy: -95.387
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -95.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1032.207526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.207526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.207526 (E_RNA)
where:
Base-Base interactions energy: -663.676
where: short stacking energy: -301.855
Base-Backbone interact. energy: -1.849
local terms energy: -366.682525
where:
bonds (distance) C4'-P energy: -75.533
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -76.560
flat angles P-C4'-P energy: -61.638
tors. eta vs tors. theta energy: -61.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -701.076045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.076045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.076045 (E_RNA)
where:
Base-Base interactions energy: -419.775
where: short stacking energy: -200.110
Base-Backbone interact. energy: -1.079
local terms energy: -280.221401
where:
bonds (distance) C4'-P energy: -68.105
bonds (distance) P-C4' energy: -74.589
flat angles C4'-P-C4' energy: -75.266
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1815.646217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.646217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.646217 (E_RNA)
where:
Base-Base interactions energy: -1270.878
where: short stacking energy: -524.141
Base-Backbone interact. energy: 0.537
local terms energy: -545.305125
where:
bonds (distance) C4'-P energy: -107.548
bonds (distance) P-C4' energy: -108.075
flat angles C4'-P-C4' energy: -104.847
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -150.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1758.922605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.922605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.922605 (E_RNA)
where:
Base-Base interactions energy: -1246.689
where: short stacking energy: -500.965
Base-Backbone interact. energy: -0.546
local terms energy: -511.688188
where:
bonds (distance) C4'-P energy: -87.158
bonds (distance) P-C4' energy: -95.047
flat angles C4'-P-C4' energy: -102.875
flat angles P-C4'-P energy: -78.345
tors. eta vs tors. theta energy: -148.263
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: 482
Temperature: 1.000000
Total energy: -1707.098541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.098541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.098541 (E_RNA)
where:
Base-Base interactions energy: -1216.627
where: short stacking energy: -517.659
Base-Backbone interact. energy: -1.114
local terms energy: -489.356792
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -95.374
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -69.857
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1686.738215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.738215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.738215 (E_RNA)
where:
Base-Base interactions energy: -1208.126
where: short stacking energy: -482.841
Base-Backbone interact. energy: -2.274
local terms energy: -476.338074
where:
bonds (distance) C4'-P energy: -81.593
bonds (distance) P-C4' energy: -88.566
flat angles C4'-P-C4' energy: -107.241
flat angles P-C4'-P energy: -67.584
tors. eta vs tors. theta energy: -131.355
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1643.204686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.204686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.204686 (E_RNA)
where:
Base-Base interactions energy: -1171.223
where: short stacking energy: -476.148
Base-Backbone interact. energy: -2.835
local terms energy: -469.147222
where:
bonds (distance) C4'-P energy: -71.077
bonds (distance) P-C4' energy: -90.344
flat angles C4'-P-C4' energy: -103.876
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -135.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1614.502573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.502573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.502573 (E_RNA)
where:
Base-Base interactions energy: -1152.907
where: short stacking energy: -452.129
Base-Backbone interact. energy: 0.720
local terms energy: -462.315704
where:
bonds (distance) C4'-P energy: -77.379
bonds (distance) P-C4' energy: -87.672
flat angles C4'-P-C4' energy: -103.089
flat angles P-C4'-P energy: -71.242
tors. eta vs tors. theta energy: -122.935
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: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1433.447570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.447570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.447570 (E_RNA)
where:
Base-Base interactions energy: -1001.168
where: short stacking energy: -424.838
Base-Backbone interact. energy: 0.613
local terms energy: -432.893065
where:
bonds (distance) C4'-P energy: -78.851
bonds (distance) P-C4' energy: -66.606
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -118.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1162.456781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.456781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.456781 (E_RNA)
where:
Base-Base interactions energy: -792.517
where: short stacking energy: -343.881
Base-Backbone interact. energy: -1.092
local terms energy: -368.848040
where:
bonds (distance) C4'-P energy: -62.482
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -88.478
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -85.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1002.100986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.100986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.100986 (E_RNA)
where:
Base-Base interactions energy: -651.945
where: short stacking energy: -312.493
Base-Backbone interact. energy: -0.913
local terms energy: -349.242345
where:
bonds (distance) C4'-P energy: -69.799
bonds (distance) P-C4' energy: -71.586
flat angles C4'-P-C4' energy: -86.853
flat angles P-C4'-P energy: -50.176
tors. eta vs tors. theta energy: -70.829
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: 482
Temperature: 1.350000
Total energy: -730.673907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.673907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.673907 (E_RNA)
where:
Base-Base interactions energy: -438.492
where: short stacking energy: -194.227
Base-Backbone interact. energy: 3.419
local terms energy: -295.601777
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -74.551
flat angles C4'-P-C4' energy: -78.073
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1817.881949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.881949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.881949 (E_RNA)
where:
Base-Base interactions energy: -1280.477
where: short stacking energy: -521.546
Base-Backbone interact. energy: -2.885
local terms energy: -534.519743
where:
bonds (distance) C4'-P energy: -93.751
bonds (distance) P-C4' energy: -99.119
flat angles C4'-P-C4' energy: -117.546
flat angles P-C4'-P energy: -77.096
tors. eta vs tors. theta energy: -147.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1754.221344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.221344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.221344 (E_RNA)
where:
Base-Base interactions energy: -1238.292
where: short stacking energy: -501.218
Base-Backbone interact. energy: -3.075
local terms energy: -512.853870
where:
bonds (distance) C4'-P energy: -87.742
bonds (distance) P-C4' energy: -95.561
flat angles C4'-P-C4' energy: -112.840
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -143.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1769.122914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.122914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.122914 (E_RNA)
where:
Base-Base interactions energy: -1249.434
where: short stacking energy: -522.506
Base-Backbone interact. energy: 0.819
local terms energy: -520.507333
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -98.675
flat angles C4'-P-C4' energy: -110.736
flat angles P-C4'-P energy: -77.343
tors. eta vs tors. theta energy: -146.499
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: 483
Temperature: 1.050000
Total energy: -1679.575751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.575751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.575751 (E_RNA)
where:
Base-Base interactions energy: -1177.351
where: short stacking energy: -485.699
Base-Backbone interact. energy: -3.277
local terms energy: -498.947356
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -78.320
flat angles C4'-P-C4' energy: -101.112
flat angles P-C4'-P energy: -75.502
tors. eta vs tors. theta energy: -146.436
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: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1656.190093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.190093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.190093 (E_RNA)
where:
Base-Base interactions energy: -1175.038
where: short stacking energy: -473.677
Base-Backbone interact. energy: 0.666
local terms energy: -481.817981
where:
bonds (distance) C4'-P energy: -71.473
bonds (distance) P-C4' energy: -89.715
flat angles C4'-P-C4' energy: -105.696
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: -136.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1580.826995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.826995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.826995 (E_RNA)
where:
Base-Base interactions energy: -1110.902
where: short stacking energy: -453.443
Base-Backbone interact. energy: 1.822
local terms energy: -471.746613
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -89.234
flat angles C4'-P-C4' energy: -100.563
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -132.515
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: 483
Temperature: 1.200000
Total energy: -1492.505016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.505016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.505016 (E_RNA)
where:
Base-Base interactions energy: -1057.674
where: short stacking energy: -476.080
Base-Backbone interact. energy: -0.749
local terms energy: -434.082343
where:
bonds (distance) C4'-P energy: -65.639
bonds (distance) P-C4' energy: -58.126
flat angles C4'-P-C4' energy: -108.786
flat angles P-C4'-P energy: -67.279
tors. eta vs tors. theta energy: -134.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1151.360044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.360044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.360044 (E_RNA)
where:
Base-Base interactions energy: -781.072
where: short stacking energy: -332.027
Base-Backbone interact. energy: -0.560
local terms energy: -369.727998
where:
bonds (distance) C4'-P energy: -79.106
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -75.111
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -82.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1027.738870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.738870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.738870 (E_RNA)
where:
Base-Base interactions energy: -690.507
where: short stacking energy: -299.778
Base-Backbone interact. energy: 3.632
local terms energy: -340.864673
where:
bonds (distance) C4'-P energy: -69.602
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -84.988
flat angles P-C4'-P energy: -59.922
tors. eta vs tors. theta energy: -52.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -714.710191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.710191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.710191 (E_RNA)
where:
Base-Base interactions energy: -431.945
where: short stacking energy: -199.680
Base-Backbone interact. energy: -2.396
local terms energy: -280.368805
where:
bonds (distance) C4'-P energy: -72.112
bonds (distance) P-C4' energy: -79.875
flat angles C4'-P-C4' energy: -58.900
flat angles P-C4'-P energy: -44.855
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1843.446174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.446174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.446174 (E_RNA)
where:
Base-Base interactions energy: -1302.619
where: short stacking energy: -536.284
Base-Backbone interact. energy: -2.479
local terms energy: -538.347839
where:
bonds (distance) C4'-P energy: -99.988
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -112.537
flat angles P-C4'-P energy: -85.487
tors. eta vs tors. theta energy: -153.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1788.846875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.846875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.846875 (E_RNA)
where:
Base-Base interactions energy: -1246.952
where: short stacking energy: -528.582
Base-Backbone interact. energy: -1.410
local terms energy: -540.484933
where:
bonds (distance) C4'-P energy: -98.612
bonds (distance) P-C4' energy: -101.638
flat angles C4'-P-C4' energy: -113.416
flat angles P-C4'-P energy: -73.064
tors. eta vs tors. theta energy: -153.754
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: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1746.027376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.027376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.027376 (E_RNA)
where:
Base-Base interactions energy: -1225.401
where: short stacking energy: -497.656
Base-Backbone interact. energy: -3.140
local terms energy: -517.486545
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -98.007
flat angles C4'-P-C4' energy: -116.672
flat angles P-C4'-P energy: -72.898
tors. eta vs tors. theta energy: -149.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1695.292809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.292809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.292809 (E_RNA)
where:
Base-Base interactions energy: -1187.365
where: short stacking energy: -489.415
Base-Backbone interact. energy: -2.194
local terms energy: -505.733949
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -112.067
flat angles P-C4'-P energy: -80.028
tors. eta vs tors. theta energy: -143.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1654.342548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.342548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.342548 (E_RNA)
where:
Base-Base interactions energy: -1149.041
where: short stacking energy: -496.424
Base-Backbone interact. energy: 0.223
local terms energy: -505.524402
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -74.099
tors. eta vs tors. theta energy: -147.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1558.961625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.961625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.961625 (E_RNA)
where:
Base-Base interactions energy: -1079.439
where: short stacking energy: -444.798
Base-Backbone interact. energy: -0.176
local terms energy: -479.346479
where:
bonds (distance) C4'-P energy: -92.338
bonds (distance) P-C4' energy: -81.537
flat angles C4'-P-C4' energy: -109.863
flat angles P-C4'-P energy: -70.614
tors. eta vs tors. theta energy: -124.994
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: 484
Temperature: 1.200000
Total energy: -1467.783356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.783356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.783356 (E_RNA)
where:
Base-Base interactions energy: -1032.291
where: short stacking energy: -430.182
Base-Backbone interact. energy: -2.017
local terms energy: -433.474664
where:
bonds (distance) C4'-P energy: -80.542
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -98.869
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -120.113
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: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1207.960938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.960938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.960938 (E_RNA)
where:
Base-Base interactions energy: -805.283
where: short stacking energy: -369.130
Base-Backbone interact. energy: -1.640
local terms energy: -401.037155
where:
bonds (distance) C4'-P energy: -78.935
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -51.794
tors. eta vs tors. theta energy: -92.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1009.917339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.917339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.917339 (E_RNA)
where:
Base-Base interactions energy: -688.448
where: short stacking energy: -291.226
Base-Backbone interact. energy: -2.717
local terms energy: -318.751700
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -80.481
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -57.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -714.255195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.255195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.255195 (E_RNA)
where:
Base-Base interactions energy: -416.507
where: short stacking energy: -203.631
Base-Backbone interact. energy: 6.725
local terms energy: -304.473371
where:
bonds (distance) C4'-P energy: -80.671
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -39.710
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: 485
Temperature: 0.900000
Total energy: -1846.821034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.821034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.821034 (E_RNA)
where:
Base-Base interactions energy: -1311.411
where: short stacking energy: -539.265
Base-Backbone interact. energy: -1.853
local terms energy: -533.556458
where:
bonds (distance) C4'-P energy: -100.515
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -107.648
flat angles P-C4'-P energy: -77.163
tors. eta vs tors. theta energy: -149.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1757.535782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.535782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.535782 (E_RNA)
where:
Base-Base interactions energy: -1228.635
where: short stacking energy: -517.563
Base-Backbone interact. energy: -1.926
local terms energy: -526.974648
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -108.888
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -154.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1755.457515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.457515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.457515 (E_RNA)
where:
Base-Base interactions energy: -1232.250
where: short stacking energy: -540.112
Base-Backbone interact. energy: -1.451
local terms energy: -521.756403
where:
bonds (distance) C4'-P energy: -81.306
bonds (distance) P-C4' energy: -100.576
flat angles C4'-P-C4' energy: -106.061
flat angles P-C4'-P energy: -78.074
tors. eta vs tors. theta energy: -155.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1681.778464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.778464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.778464 (E_RNA)
where:
Base-Base interactions energy: -1174.854
where: short stacking energy: -499.202
Base-Backbone interact. energy: -3.050
local terms energy: -503.873857
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -111.790
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -144.450
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: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1638.911107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.911107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.911107 (E_RNA)
where:
Base-Base interactions energy: -1143.227
where: short stacking energy: -465.542
Base-Backbone interact. energy: -1.141
local terms energy: -494.543381
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -87.751
flat angles C4'-P-C4' energy: -101.435
flat angles P-C4'-P energy: -71.854
tors. eta vs tors. theta energy: -137.682
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1607.426487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.426487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.426487 (E_RNA)
where:
Base-Base interactions energy: -1134.588
where: short stacking energy: -469.597
Base-Backbone interact. energy: -1.106
local terms energy: -471.732250
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -74.385
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -137.623
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1437.990782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.990782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.990782 (E_RNA)
where:
Base-Base interactions energy: -1031.186
where: short stacking energy: -427.000
Base-Backbone interact. energy: 0.903
local terms energy: -407.708049
where:
bonds (distance) C4'-P energy: -85.566
bonds (distance) P-C4' energy: -78.159
flat angles C4'-P-C4' energy: -88.703
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -116.356
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: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1190.890559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.890559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.890559 (E_RNA)
where:
Base-Base interactions energy: -815.587
where: short stacking energy: -367.815
Base-Backbone interact. energy: -0.661
local terms energy: -374.642606
where:
bonds (distance) C4'-P energy: -77.205
bonds (distance) P-C4' energy: -79.085
flat angles C4'-P-C4' energy: -96.369
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -86.296
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: 485
Temperature: 1.300000
Total energy: -1027.999222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.999222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.999222 (E_RNA)
where:
Base-Base interactions energy: -682.719
where: short stacking energy: -273.747
Base-Backbone interact. energy: -3.063
local terms energy: -342.217204
where:
bonds (distance) C4'-P energy: -91.314
bonds (distance) P-C4' energy: -69.421
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -66.900
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: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -732.679481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.679481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.679481 (E_RNA)
where:
Base-Base interactions energy: -438.152
where: short stacking energy: -221.808
Base-Backbone interact. energy: 1.163
local terms energy: -295.690912
where:
bonds (distance) C4'-P energy: -73.456
bonds (distance) P-C4' energy: -73.479
flat angles C4'-P-C4' energy: -79.606
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -35.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1819.869061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.869061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.869061 (E_RNA)
where:
Base-Base interactions energy: -1278.112
where: short stacking energy: -530.169
Base-Backbone interact. energy: -2.667
local terms energy: -539.090078
where:
bonds (distance) C4'-P energy: -100.507
bonds (distance) P-C4' energy: -95.923
flat angles C4'-P-C4' energy: -116.160
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -151.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1772.890378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.890378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.890378 (E_RNA)
where:
Base-Base interactions energy: -1249.467
where: short stacking energy: -540.346
Base-Backbone interact. energy: -2.121
local terms energy: -521.301699
where:
bonds (distance) C4'-P energy: -94.987
bonds (distance) P-C4' energy: -84.207
flat angles C4'-P-C4' energy: -111.246
flat angles P-C4'-P energy: -83.794
tors. eta vs tors. theta energy: -147.068
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: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1767.695288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.695288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.695288 (E_RNA)
where:
Base-Base interactions energy: -1234.059
where: short stacking energy: -511.163
Base-Backbone interact. energy: -1.758
local terms energy: -531.878235
where:
bonds (distance) C4'-P energy: -95.305
bonds (distance) P-C4' energy: -93.228
flat angles C4'-P-C4' energy: -119.835
flat angles P-C4'-P energy: -72.344
tors. eta vs tors. theta energy: -151.167
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: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1661.100936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.100936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.100936 (E_RNA)
where:
Base-Base interactions energy: -1172.892
where: short stacking energy: -475.303
Base-Backbone interact. energy: -3.146
local terms energy: -485.062826
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -77.723
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -74.669
tors. eta vs tors. theta energy: -137.350
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: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1622.002200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.002200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.002200 (E_RNA)
where:
Base-Base interactions energy: -1149.632
where: short stacking energy: -470.776
Base-Backbone interact. energy: -0.378
local terms energy: -471.991556
where:
bonds (distance) C4'-P energy: -80.811
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -94.034
flat angles P-C4'-P energy: -69.726
tors. eta vs tors. theta energy: -136.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1608.243521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.243521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.243521 (E_RNA)
where:
Base-Base interactions energy: -1139.150
where: short stacking energy: -451.896
Base-Backbone interact. energy: -2.375
local terms energy: -466.718071
where:
bonds (distance) C4'-P energy: -81.167
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -99.240
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: -129.823
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1450.725541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.725541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.725541 (E_RNA)
where:
Base-Base interactions energy: -1010.394
where: short stacking energy: -418.751
Base-Backbone interact. energy: -1.342
local terms energy: -438.989908
where:
bonds (distance) C4'-P energy: -65.085
bonds (distance) P-C4' energy: -92.127
flat angles C4'-P-C4' energy: -89.216
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -121.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1196.201692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.201692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.201692 (E_RNA)
where:
Base-Base interactions energy: -802.893
where: short stacking energy: -340.265
Base-Backbone interact. energy: -3.321
local terms energy: -389.987649
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -76.298
flat angles C4'-P-C4' energy: -91.007
flat angles P-C4'-P energy: -61.541
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1036.028769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.028769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.028769 (E_RNA)
where:
Base-Base interactions energy: -664.628
where: short stacking energy: -285.808
Base-Backbone interact. energy: 0.690
local terms energy: -372.091002
where:
bonds (distance) C4'-P energy: -86.370
bonds (distance) P-C4' energy: -81.627
flat angles C4'-P-C4' energy: -88.217
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -72.209
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: 486
Temperature: 1.350000
Total energy: -789.728539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.728539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.728539 (E_RNA)
where:
Base-Base interactions energy: -486.914
where: short stacking energy: -237.019
Base-Backbone interact. energy: -0.710
local terms energy: -302.104482
where:
bonds (distance) C4'-P energy: -67.761
bonds (distance) P-C4' energy: -73.604
flat angles C4'-P-C4' energy: -70.152
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1827.137739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.137739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.137739 (E_RNA)
where:
Base-Base interactions energy: -1276.520
where: short stacking energy: -529.326
Base-Backbone interact. energy: 1.001
local terms energy: -551.618965
where:
bonds (distance) C4'-P energy: -93.564
bonds (distance) P-C4' energy: -97.263
flat angles C4'-P-C4' energy: -108.622
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -157.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1794.203515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.203515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.203515 (E_RNA)
where:
Base-Base interactions energy: -1271.698
where: short stacking energy: -551.409
Base-Backbone interact. energy: -0.381
local terms energy: -522.124344
where:
bonds (distance) C4'-P energy: -93.637
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -110.979
flat angles P-C4'-P energy: -74.053
tors. eta vs tors. theta energy: -151.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1750.641800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.641800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.641800 (E_RNA)
where:
Base-Base interactions energy: -1237.116
where: short stacking energy: -522.898
Base-Backbone interact. energy: -0.698
local terms energy: -512.828552
where:
bonds (distance) C4'-P energy: -76.601
bonds (distance) P-C4' energy: -95.872
flat angles C4'-P-C4' energy: -112.699
flat angles P-C4'-P energy: -79.470
tors. eta vs tors. theta energy: -148.187
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: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1688.234290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.234290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.234290 (E_RNA)
where:
Base-Base interactions energy: -1186.671
where: short stacking energy: -482.786
Base-Backbone interact. energy: -2.508
local terms energy: -499.056120
where:
bonds (distance) C4'-P energy: -76.442
bonds (distance) P-C4' energy: -88.543
flat angles C4'-P-C4' energy: -115.911
flat angles P-C4'-P energy: -79.109
tors. eta vs tors. theta energy: -139.051
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: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1654.997337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.997337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.997337 (E_RNA)
where:
Base-Base interactions energy: -1172.507
where: short stacking energy: -484.406
Base-Backbone interact. energy: -0.962
local terms energy: -481.528234
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -108.445
flat angles P-C4'-P energy: -67.743
tors. eta vs tors. theta energy: -143.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1611.327771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.327771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.327771 (E_RNA)
where:
Base-Base interactions energy: -1120.090
where: short stacking energy: -474.975
Base-Backbone interact. energy: -0.158
local terms energy: -491.079371
where:
bonds (distance) C4'-P energy: -79.894
bonds (distance) P-C4' energy: -100.980
flat angles C4'-P-C4' energy: -97.416
flat angles P-C4'-P energy: -79.014
tors. eta vs tors. theta energy: -133.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1413.296610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.296610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.296610 (E_RNA)
where:
Base-Base interactions energy: -1002.188
where: short stacking energy: -411.301
Base-Backbone interact. energy: 3.008
local terms energy: -414.116905
where:
bonds (distance) C4'-P energy: -64.074
bonds (distance) P-C4' energy: -77.251
flat angles C4'-P-C4' energy: -93.914
flat angles P-C4'-P energy: -72.582
tors. eta vs tors. theta energy: -106.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1195.781137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.781137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.781137 (E_RNA)
where:
Base-Base interactions energy: -812.402
where: short stacking energy: -331.156
Base-Backbone interact. energy: -3.212
local terms energy: -380.166274
where:
bonds (distance) C4'-P energy: -74.454
bonds (distance) P-C4' energy: -84.488
flat angles C4'-P-C4' energy: -88.252
flat angles P-C4'-P energy: -53.146
tors. eta vs tors. theta energy: -79.827
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: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1009.402886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.402886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.402886 (E_RNA)
where:
Base-Base interactions energy: -651.356
where: short stacking energy: -277.963
Base-Backbone interact. energy: -4.428
local terms energy: -353.618561
where:
bonds (distance) C4'-P energy: -63.341
bonds (distance) P-C4' energy: -89.308
flat angles C4'-P-C4' energy: -82.576
flat angles P-C4'-P energy: -56.697
tors. eta vs tors. theta energy: -61.696
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: 487
Temperature: 1.350000
Total energy: -785.331840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.331840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.331840 (E_RNA)
where:
Base-Base interactions energy: -467.148
where: short stacking energy: -241.486
Base-Backbone interact. energy: -0.723
local terms energy: -317.461499
where:
bonds (distance) C4'-P energy: -63.200
bonds (distance) P-C4' energy: -77.891
flat angles C4'-P-C4' energy: -91.032
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -39.251
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: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1816.714777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.714777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.714777 (E_RNA)
where:
Base-Base interactions energy: -1268.583
where: short stacking energy: -541.930
Base-Backbone interact. energy: -1.291
local terms energy: -546.840541
where:
bonds (distance) C4'-P energy: -97.400
bonds (distance) P-C4' energy: -89.000
flat angles C4'-P-C4' energy: -112.824
flat angles P-C4'-P energy: -90.555
tors. eta vs tors. theta energy: -157.062
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: 488
Temperature: 0.950000
Total energy: -1775.492954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.492954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.492954 (E_RNA)
where:
Base-Base interactions energy: -1258.761
where: short stacking energy: -517.954
Base-Backbone interact. energy: -2.381
local terms energy: -514.350180
where:
bonds (distance) C4'-P energy: -98.530
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -112.457
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -139.315
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1704.026070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.026070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.026070 (E_RNA)
where:
Base-Base interactions energy: -1179.841
where: short stacking energy: -504.014
Base-Backbone interact. energy: -1.164
local terms energy: -523.020781
where:
bonds (distance) C4'-P energy: -89.567
bonds (distance) P-C4' energy: -104.189
flat angles C4'-P-C4' energy: -111.946
flat angles P-C4'-P energy: -76.365
tors. eta vs tors. theta energy: -140.954
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: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1667.062928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.062928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.062928 (E_RNA)
where:
Base-Base interactions energy: -1180.107
where: short stacking energy: -478.590
Base-Backbone interact. energy: -0.868
local terms energy: -486.088813
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -109.712
flat angles P-C4'-P energy: -69.351
tors. eta vs tors. theta energy: -137.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1685.976145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.976145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.976145 (E_RNA)
where:
Base-Base interactions energy: -1176.673
where: short stacking energy: -493.567
Base-Backbone interact. energy: -1.735
local terms energy: -507.567327
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -86.856
flat angles C4'-P-C4' energy: -112.251
flat angles P-C4'-P energy: -78.246
tors. eta vs tors. theta energy: -146.342
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: 488
Temperature: 1.150000
Total energy: -1601.057313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.057313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.057313 (E_RNA)
where:
Base-Base interactions energy: -1135.859
where: short stacking energy: -471.745
Base-Backbone interact. energy: -1.336
local terms energy: -463.862203
where:
bonds (distance) C4'-P energy: -86.611
bonds (distance) P-C4' energy: -85.601
flat angles C4'-P-C4' energy: -97.536
flat angles P-C4'-P energy: -62.648
tors. eta vs tors. theta energy: -131.466
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: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1412.193631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.193631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.193631 (E_RNA)
where:
Base-Base interactions energy: -986.169
where: short stacking energy: -400.623
Base-Backbone interact. energy: -3.421
local terms energy: -422.603792
where:
bonds (distance) C4'-P energy: -86.912
bonds (distance) P-C4' energy: -83.660
flat angles C4'-P-C4' energy: -93.645
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -105.355
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: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1227.829029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.829029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.829029 (E_RNA)
where:
Base-Base interactions energy: -841.534
where: short stacking energy: -402.460
Base-Backbone interact. energy: -0.744
local terms energy: -385.551319
where:
bonds (distance) C4'-P energy: -66.759
bonds (distance) P-C4' energy: -73.874
flat angles C4'-P-C4' energy: -86.908
flat angles P-C4'-P energy: -60.289
tors. eta vs tors. theta energy: -97.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1007.864702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.864702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.864702 (E_RNA)
where:
Base-Base interactions energy: -666.056
where: short stacking energy: -295.082
Base-Backbone interact. energy: 1.623
local terms energy: -343.431785
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -54.744
tors. eta vs tors. theta energy: -59.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -790.345090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.345090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.345090 (E_RNA)
where:
Base-Base interactions energy: -497.328
where: short stacking energy: -244.379
Base-Backbone interact. energy: 1.279
local terms energy: -294.296522
where:
bonds (distance) C4'-P energy: -67.146
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -76.409
flat angles P-C4'-P energy: -44.187
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1834.687864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.687864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.687864 (E_RNA)
where:
Base-Base interactions energy: -1305.394
where: short stacking energy: -541.839
Base-Backbone interact. energy: 2.918
local terms energy: -532.211573
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -76.110
tors. eta vs tors. theta energy: -153.643
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: 489
Temperature: 0.950000
Total energy: -1792.449552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.449552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.449552 (E_RNA)
where:
Base-Base interactions energy: -1265.801
where: short stacking energy: -523.114
Base-Backbone interact. energy: -1.904
local terms energy: -524.744351
where:
bonds (distance) C4'-P energy: -91.876
bonds (distance) P-C4' energy: -98.202
flat angles C4'-P-C4' energy: -98.426
flat angles P-C4'-P energy: -80.477
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: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1736.711924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.711924 (E_RNA)
where:
Base-Base interactions energy: -1226.816
where: short stacking energy: -512.543
Base-Backbone interact. energy: -1.191
local terms energy: -508.704979
where:
bonds (distance) C4'-P energy: -78.713
bonds (distance) P-C4' energy: -90.989
flat angles C4'-P-C4' energy: -114.370
flat angles P-C4'-P energy: -74.680
tors. eta vs tors. theta energy: -149.953
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1693.742266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.742266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.742266 (E_RNA)
where:
Base-Base interactions energy: -1206.312
where: short stacking energy: -493.862
Base-Backbone interact. energy: -0.953
local terms energy: -486.477587
where:
bonds (distance) C4'-P energy: -90.468
bonds (distance) P-C4' energy: -95.872
flat angles C4'-P-C4' energy: -104.234
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: -135.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1642.493792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.493792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.493792 (E_RNA)
where:
Base-Base interactions energy: -1163.331
where: short stacking energy: -473.089
Base-Backbone interact. energy: -3.337
local terms energy: -475.826090
where:
bonds (distance) C4'-P energy: -76.782
bonds (distance) P-C4' energy: -91.074
flat angles C4'-P-C4' energy: -108.355
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -136.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1612.941412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.941412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.941412 (E_RNA)
where:
Base-Base interactions energy: -1159.445
where: short stacking energy: -466.794
Base-Backbone interact. energy: 0.402
local terms energy: -453.898404
where:
bonds (distance) C4'-P energy: -82.686
bonds (distance) P-C4' energy: -86.700
flat angles C4'-P-C4' energy: -104.820
flat angles P-C4'-P energy: -67.718
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: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1429.854217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.854217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.854217 (E_RNA)
where:
Base-Base interactions energy: -1025.718
where: short stacking energy: -420.116
Base-Backbone interact. energy: -2.741
local terms energy: -401.394692
where:
bonds (distance) C4'-P energy: -72.537
bonds (distance) P-C4' energy: -61.929
flat angles C4'-P-C4' energy: -88.407
flat angles P-C4'-P energy: -57.407
tors. eta vs tors. theta energy: -121.113
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: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1215.146083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.146083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.146083 (E_RNA)
where:
Base-Base interactions energy: -824.233
where: short stacking energy: -354.668
Base-Backbone interact. energy: -1.936
local terms energy: -388.977761
where:
bonds (distance) C4'-P energy: -66.376
bonds (distance) P-C4' energy: -99.826
flat angles C4'-P-C4' energy: -84.553
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: -84.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -987.713076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.713076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.713076 (E_RNA)
where:
Base-Base interactions energy: -604.048
where: short stacking energy: -278.809
Base-Backbone interact. energy: -2.587
local terms energy: -381.077553
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -86.306
flat angles P-C4'-P energy: -57.260
tors. eta vs tors. theta energy: -50.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -730.735892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.735892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.735892 (E_RNA)
where:
Base-Base interactions energy: -423.065
where: short stacking energy: -178.671
Base-Backbone interact. energy: -1.369
local terms energy: -306.302137
where:
bonds (distance) C4'-P energy: -87.156
bonds (distance) P-C4' energy: -85.847
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: -24.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1834.299368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.299368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.299368 (E_RNA)
where:
Base-Base interactions energy: -1282.377
where: short stacking energy: -543.784
Base-Backbone interact. energy: -0.970
local terms energy: -550.952107
where:
bonds (distance) C4'-P energy: -103.717
bonds (distance) P-C4' energy: -92.977
flat angles C4'-P-C4' energy: -117.648
flat angles P-C4'-P energy: -79.655
tors. eta vs tors. theta energy: -156.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1806.801531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.801531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.801531 (E_RNA)
where:
Base-Base interactions energy: -1268.104
where: short stacking energy: -509.695
Base-Backbone interact. energy: -1.085
local terms energy: -537.611698
where:
bonds (distance) C4'-P energy: -95.341
bonds (distance) P-C4' energy: -100.411
flat angles C4'-P-C4' energy: -108.074
flat angles P-C4'-P energy: -81.337
tors. eta vs tors. theta energy: -152.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1732.021807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.021807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.021807 (E_RNA)
where:
Base-Base interactions energy: -1227.141
where: short stacking energy: -511.022
Base-Backbone interact. energy: -1.538
local terms energy: -503.343486
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -102.514
flat angles P-C4'-P energy: -76.765
tors. eta vs tors. theta energy: -148.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1696.212080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.212080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.212080 (E_RNA)
where:
Base-Base interactions energy: -1198.515
where: short stacking energy: -491.194
Base-Backbone interact. energy: -1.418
local terms energy: -496.279577
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -84.889
flat angles C4'-P-C4' energy: -101.543
flat angles P-C4'-P energy: -77.356
tors. eta vs tors. theta energy: -137.956
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1648.534382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.534382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.534382 (E_RNA)
where:
Base-Base interactions energy: -1174.872
where: short stacking energy: -469.575
Base-Backbone interact. energy: -1.482
local terms energy: -472.180036
where:
bonds (distance) C4'-P energy: -80.651
bonds (distance) P-C4' energy: -85.562
flat angles C4'-P-C4' energy: -107.121
flat angles P-C4'-P energy: -75.922
tors. eta vs tors. theta energy: -122.924
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: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1589.387513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.387513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.387513 (E_RNA)
where:
Base-Base interactions energy: -1128.423
where: short stacking energy: -472.008
Base-Backbone interact. energy: -1.526
local terms energy: -459.437528
where:
bonds (distance) C4'-P energy: -86.728
bonds (distance) P-C4' energy: -78.849
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: -129.899
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: 490
Temperature: 1.200000
Total energy: -1425.065460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.065460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.065460 (E_RNA)
where:
Base-Base interactions energy: -1000.608
where: short stacking energy: -426.923
Base-Backbone interact. energy: -2.287
local terms energy: -422.170505
where:
bonds (distance) C4'-P energy: -80.117
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -97.073
flat angles P-C4'-P energy: -63.118
tors. eta vs tors. theta energy: -119.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1245.527917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.527917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.527917 (E_RNA)
where:
Base-Base interactions energy: -863.350
where: short stacking energy: -382.913
Base-Backbone interact. energy: 0.934
local terms energy: -383.111952
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -60.230
flat angles C4'-P-C4' energy: -81.628
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -100.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -950.616129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.616129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.616129 (E_RNA)
where:
Base-Base interactions energy: -603.134
where: short stacking energy: -280.662
Base-Backbone interact. energy: 3.211
local terms energy: -350.693568
where:
bonds (distance) C4'-P energy: -79.562
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -74.627
flat angles P-C4'-P energy: -66.130
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -784.258734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.258734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.258734 (E_RNA)
where:
Base-Base interactions energy: -473.135
where: short stacking energy: -210.697
Base-Backbone interact. energy: 0.397
local terms energy: -311.520475
where:
bonds (distance) C4'-P energy: -70.190
bonds (distance) P-C4' energy: -76.999
flat angles C4'-P-C4' energy: -86.565
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -34.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1840.704688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.704688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.704688 (E_RNA)
where:
Base-Base interactions energy: -1312.033
where: short stacking energy: -544.241
Base-Backbone interact. energy: -1.626
local terms energy: -527.045379
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -97.127
flat angles C4'-P-C4' energy: -109.573
flat angles P-C4'-P energy: -80.903
tors. eta vs tors. theta energy: -152.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1789.247375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.247375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.247375 (E_RNA)
where:
Base-Base interactions energy: -1274.502
where: short stacking energy: -538.277
Base-Backbone interact. energy: -3.286
local terms energy: -511.458771
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -104.384
flat angles P-C4'-P energy: -75.480
tors. eta vs tors. theta energy: -143.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1731.992032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.992032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.992032 (E_RNA)
where:
Base-Base interactions energy: -1222.095
where: short stacking energy: -507.571
Base-Backbone interact. energy: -1.407
local terms energy: -508.489725
where:
bonds (distance) C4'-P energy: -95.055
bonds (distance) P-C4' energy: -101.477
flat angles C4'-P-C4' energy: -105.353
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -143.950
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: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1688.007296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.007296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.007296 (E_RNA)
where:
Base-Base interactions energy: -1210.419
where: short stacking energy: -482.875
Base-Backbone interact. energy: -1.494
local terms energy: -476.093785
where:
bonds (distance) C4'-P energy: -76.405
bonds (distance) P-C4' energy: -89.278
flat angles C4'-P-C4' energy: -105.550
flat angles P-C4'-P energy: -68.174
tors. eta vs tors. theta energy: -136.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1650.826881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.826881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.826881 (E_RNA)
where:
Base-Base interactions energy: -1168.890
where: short stacking energy: -487.324
Base-Backbone interact. energy: -1.608
local terms energy: -480.328160
where:
bonds (distance) C4'-P energy: -86.081
bonds (distance) P-C4' energy: -93.334
flat angles C4'-P-C4' energy: -107.079
flat angles P-C4'-P energy: -66.556
tors. eta vs tors. theta energy: -127.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1559.512648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.512648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.512648 (E_RNA)
where:
Base-Base interactions energy: -1107.611
where: short stacking energy: -462.232
Base-Backbone interact. energy: 2.399
local terms energy: -454.300908
where:
bonds (distance) C4'-P energy: -69.292
bonds (distance) P-C4' energy: -96.553
flat angles C4'-P-C4' energy: -94.437
flat angles P-C4'-P energy: -66.097
tors. eta vs tors. theta energy: -127.921
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1381.170721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.170721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.170721 (E_RNA)
where:
Base-Base interactions energy: -965.691
where: short stacking energy: -410.669
Base-Backbone interact. energy: -0.395
local terms energy: -415.084955
where:
bonds (distance) C4'-P energy: -69.776
bonds (distance) P-C4' energy: -66.604
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -114.868
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: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1215.073739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.073739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.073739 (E_RNA)
where:
Base-Base interactions energy: -824.795
where: short stacking energy: -364.346
Base-Backbone interact. energy: 5.721
local terms energy: -395.999077
where:
bonds (distance) C4'-P energy: -80.191
bonds (distance) P-C4' energy: -81.463
flat angles C4'-P-C4' energy: -87.120
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -98.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1001.239540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.239540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.239540 (E_RNA)
where:
Base-Base interactions energy: -645.893
where: short stacking energy: -290.525
Base-Backbone interact. energy: 3.891
local terms energy: -359.237026
where:
bonds (distance) C4'-P energy: -87.430
bonds (distance) P-C4' energy: -86.982
flat angles C4'-P-C4' energy: -89.030
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -718.513053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.513053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.513053 (E_RNA)
where:
Base-Base interactions energy: -430.191
where: short stacking energy: -206.332
Base-Backbone interact. energy: 3.388
local terms energy: -291.709082
where:
bonds (distance) C4'-P energy: -72.415
bonds (distance) P-C4' energy: -68.815
flat angles C4'-P-C4' energy: -84.879
flat angles P-C4'-P energy: -38.353
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1828.063914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.063914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.063914 (E_RNA)
where:
Base-Base interactions energy: -1286.332
where: short stacking energy: -539.885
Base-Backbone interact. energy: 1.662
local terms energy: -543.393773
where:
bonds (distance) C4'-P energy: -89.715
bonds (distance) P-C4' energy: -108.689
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -150.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1804.721602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.721602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.721602 (E_RNA)
where:
Base-Base interactions energy: -1288.241
where: short stacking energy: -533.710
Base-Backbone interact. energy: -2.055
local terms energy: -514.425161
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -97.472
flat angles C4'-P-C4' energy: -112.894
flat angles P-C4'-P energy: -66.339
tors. eta vs tors. theta energy: -154.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1739.959163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.959163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.959163 (E_RNA)
where:
Base-Base interactions energy: -1247.290
where: short stacking energy: -534.216
Base-Backbone interact. energy: -1.859
local terms energy: -490.810962
where:
bonds (distance) C4'-P energy: -82.707
bonds (distance) P-C4' energy: -81.311
flat angles C4'-P-C4' energy: -103.513
flat angles P-C4'-P energy: -71.166
tors. eta vs tors. theta energy: -152.114
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: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1693.316655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.316655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.316655 (E_RNA)
where:
Base-Base interactions energy: -1209.710
where: short stacking energy: -495.791
Base-Backbone interact. energy: -3.348
local terms energy: -480.258383
where:
bonds (distance) C4'-P energy: -84.451
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -104.561
flat angles P-C4'-P energy: -72.413
tors. eta vs tors. theta energy: -145.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1639.602104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.602104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.602104 (E_RNA)
where:
Base-Base interactions energy: -1169.885
where: short stacking energy: -493.350
Base-Backbone interact. energy: -2.027
local terms energy: -467.690326
where:
bonds (distance) C4'-P energy: -61.641
bonds (distance) P-C4' energy: -99.069
flat angles C4'-P-C4' energy: -98.899
flat angles P-C4'-P energy: -63.555
tors. eta vs tors. theta energy: -144.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1554.404153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.404153 (E_RNA)
where:
Base-Base interactions energy: -1098.395
where: short stacking energy: -443.247
Base-Backbone interact. energy: -2.929
local terms energy: -453.080889
where:
bonds (distance) C4'-P energy: -78.345
bonds (distance) P-C4' energy: -85.839
flat angles C4'-P-C4' energy: -97.715
flat angles P-C4'-P energy: -70.521
tors. eta vs tors. theta energy: -120.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1359.685847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.685847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.685847 (E_RNA)
where:
Base-Base interactions energy: -955.636
where: short stacking energy: -382.607
Base-Backbone interact. energy: -0.930
local terms energy: -403.120446
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -78.410
flat angles C4'-P-C4' energy: -88.109
flat angles P-C4'-P energy: -57.213
tors. eta vs tors. theta energy: -100.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1169.328056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.328056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.328056 (E_RNA)
where:
Base-Base interactions energy: -787.879
where: short stacking energy: -331.416
Base-Backbone interact. energy: -3.146
local terms energy: -378.302955
where:
bonds (distance) C4'-P energy: -71.517
bonds (distance) P-C4' energy: -70.004
flat angles C4'-P-C4' energy: -92.570
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -88.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1000.133949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.133949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.133949 (E_RNA)
where:
Base-Base interactions energy: -634.661
where: short stacking energy: -290.071
Base-Backbone interact. energy: -2.090
local terms energy: -363.382351
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -91.357
flat angles C4'-P-C4' energy: -102.050
flat angles P-C4'-P energy: -42.829
tors. eta vs tors. theta energy: -60.923
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: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -753.842639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.842639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.842639 (E_RNA)
where:
Base-Base interactions energy: -432.308
where: short stacking energy: -222.052
Base-Backbone interact. energy: 2.892
local terms energy: -324.426646
where:
bonds (distance) C4'-P energy: -86.972
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -83.677
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -37.458
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: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1813.583107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.583107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.583107 (E_RNA)
where:
Base-Base interactions energy: -1271.886
where: short stacking energy: -541.368
Base-Backbone interact. energy: -2.839
local terms energy: -538.857972
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -93.794
flat angles C4'-P-C4' energy: -113.781
flat angles P-C4'-P energy: -81.573
tors. eta vs tors. theta energy: -156.821
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: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1765.070605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.070605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.070605 (E_RNA)
where:
Base-Base interactions energy: -1232.323
where: short stacking energy: -527.213
Base-Backbone interact. energy: -0.445
local terms energy: -532.302570
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -106.135
flat angles C4'-P-C4' energy: -112.416
flat angles P-C4'-P energy: -72.859
tors. eta vs tors. theta energy: -152.487
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: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1760.443488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.443488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.443488 (E_RNA)
where:
Base-Base interactions energy: -1247.807
where: short stacking energy: -534.297
Base-Backbone interact. energy: -1.146
local terms energy: -511.490627
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -86.713
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -84.792
tors. eta vs tors. theta energy: -155.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1715.305500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.305500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.305500 (E_RNA)
where:
Base-Base interactions energy: -1217.500
where: short stacking energy: -502.621
Base-Backbone interact. energy: 3.526
local terms energy: -501.331740
where:
bonds (distance) C4'-P energy: -84.388
bonds (distance) P-C4' energy: -86.763
flat angles C4'-P-C4' energy: -109.864
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -143.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1630.878319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.878319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.878319 (E_RNA)
where:
Base-Base interactions energy: -1121.491
where: short stacking energy: -475.009
Base-Backbone interact. energy: 2.501
local terms energy: -511.888187
where:
bonds (distance) C4'-P energy: -96.562
bonds (distance) P-C4' energy: -91.976
flat angles C4'-P-C4' energy: -104.926
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -140.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1566.758931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.758931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.758931 (E_RNA)
where:
Base-Base interactions energy: -1104.716
where: short stacking energy: -429.488
Base-Backbone interact. energy: 0.149
local terms energy: -462.191545
where:
bonds (distance) C4'-P energy: -92.019
bonds (distance) P-C4' energy: -76.490
flat angles C4'-P-C4' energy: -95.355
flat angles P-C4'-P energy: -72.135
tors. eta vs tors. theta energy: -126.192
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: 493
Temperature: 1.200000
Total energy: -1339.547329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.547329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.547329 (E_RNA)
where:
Base-Base interactions energy: -934.328
where: short stacking energy: -389.661
Base-Backbone interact. energy: -1.170
local terms energy: -404.049507
where:
bonds (distance) C4'-P energy: -82.762
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -101.243
flat angles P-C4'-P energy: -52.227
tors. eta vs tors. theta energy: -108.947
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: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1115.881215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.881215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.881215 (E_RNA)
where:
Base-Base interactions energy: -734.156
where: short stacking energy: -325.791
Base-Backbone interact. energy: -1.801
local terms energy: -379.924288
where:
bonds (distance) C4'-P energy: -96.535
bonds (distance) P-C4' energy: -68.876
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -59.997
tors. eta vs tors. theta energy: -77.718
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: 493
Temperature: 1.300000
Total energy: -1033.014811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.014811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.014811 (E_RNA)
where:
Base-Base interactions energy: -677.825
where: short stacking energy: -325.465
Base-Backbone interact. energy: -0.611
local terms energy: -354.578851
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -89.049
flat angles C4'-P-C4' energy: -91.993
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -742.719559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.719559 (E_RNA)
where:
Base-Base interactions energy: -455.472
where: short stacking energy: -218.079
Base-Backbone interact. energy: 0.099
local terms energy: -287.346591
where:
bonds (distance) C4'-P energy: -59.599
bonds (distance) P-C4' energy: -81.568
flat angles C4'-P-C4' energy: -66.768
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -32.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1793.658313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.658313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.658313 (E_RNA)
where:
Base-Base interactions energy: -1247.435
where: short stacking energy: -535.948
Base-Backbone interact. energy: -3.387
local terms energy: -542.836269
where:
bonds (distance) C4'-P energy: -97.773
bonds (distance) P-C4' energy: -96.103
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -78.067
tors. eta vs tors. theta energy: -152.109
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: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1769.557942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.557942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.557942 (E_RNA)
where:
Base-Base interactions energy: -1248.064
where: short stacking energy: -529.440
Base-Backbone interact. energy: -1.569
local terms energy: -519.925354
where:
bonds (distance) C4'-P energy: -90.683
bonds (distance) P-C4' energy: -97.878
flat angles C4'-P-C4' energy: -109.620
flat angles P-C4'-P energy: -64.860
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: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1765.437711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.437711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.437711 (E_RNA)
where:
Base-Base interactions energy: -1231.613
where: short stacking energy: -510.355
Base-Backbone interact. energy: -3.827
local terms energy: -529.997527
where:
bonds (distance) C4'-P energy: -90.615
bonds (distance) P-C4' energy: -98.382
flat angles C4'-P-C4' energy: -118.590
flat angles P-C4'-P energy: -64.792
tors. eta vs tors. theta energy: -157.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1704.824413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.824413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.824413 (E_RNA)
where:
Base-Base interactions energy: -1195.600
where: short stacking energy: -507.922
Base-Backbone interact. energy: -1.663
local terms energy: -507.561539
where:
bonds (distance) C4'-P energy: -89.016
bonds (distance) P-C4' energy: -90.773
flat angles C4'-P-C4' energy: -108.131
flat angles P-C4'-P energy: -73.483
tors. eta vs tors. theta energy: -146.159
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: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1642.599986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.599986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.599986 (E_RNA)
where:
Base-Base interactions energy: -1146.992
where: short stacking energy: -462.417
Base-Backbone interact. energy: 0.682
local terms energy: -496.290370
where:
bonds (distance) C4'-P energy: -106.731
bonds (distance) P-C4' energy: -81.055
flat angles C4'-P-C4' energy: -94.149
flat angles P-C4'-P energy: -76.936
tors. eta vs tors. theta energy: -137.419
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1600.720309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.720309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.720309 (E_RNA)
where:
Base-Base interactions energy: -1150.268
where: short stacking energy: -469.546
Base-Backbone interact. energy: -1.523
local terms energy: -448.929116
where:
bonds (distance) C4'-P energy: -70.877
bonds (distance) P-C4' energy: -86.712
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -127.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1384.714880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.714880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.714880 (E_RNA)
where:
Base-Base interactions energy: -952.407
where: short stacking energy: -404.088
Base-Backbone interact. energy: 3.571
local terms energy: -435.879364
where:
bonds (distance) C4'-P energy: -92.681
bonds (distance) P-C4' energy: -80.980
flat angles C4'-P-C4' energy: -89.906
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -113.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1104.107796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.107796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.107796 (E_RNA)
where:
Base-Base interactions energy: -720.394
where: short stacking energy: -327.190
Base-Backbone interact. energy: -1.271
local terms energy: -382.442599
where:
bonds (distance) C4'-P energy: -86.927
bonds (distance) P-C4' energy: -79.431
flat angles C4'-P-C4' energy: -87.901
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1069.269330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.269330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.269330 (E_RNA)
where:
Base-Base interactions energy: -724.002
where: short stacking energy: -337.701
Base-Backbone interact. energy: 3.260
local terms energy: -348.527111
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -73.434
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -676.035912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.035912 (E_RNA)
where:
Base-Base interactions energy: -413.992
where: short stacking energy: -199.382
Base-Backbone interact. energy: 1.799
local terms energy: -263.842764
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -73.193
flat angles C4'-P-C4' energy: -54.489
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1843.946470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.946470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.946470 (E_RNA)
where:
Base-Base interactions energy: -1293.907
where: short stacking energy: -543.123
Base-Backbone interact. energy: -3.292
local terms energy: -546.747307
where:
bonds (distance) C4'-P energy: -101.312
bonds (distance) P-C4' energy: -97.203
flat angles C4'-P-C4' energy: -117.995
flat angles P-C4'-P energy: -77.981
tors. eta vs tors. theta energy: -152.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1773.845248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.845248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.845248 (E_RNA)
where:
Base-Base interactions energy: -1246.315
where: short stacking energy: -511.949
Base-Backbone interact. energy: -1.835
local terms energy: -525.695547
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -90.840
flat angles C4'-P-C4' energy: -116.016
flat angles P-C4'-P energy: -78.348
tors. eta vs tors. theta energy: -150.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1765.493936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.493936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.493936 (E_RNA)
where:
Base-Base interactions energy: -1234.263
where: short stacking energy: -503.771
Base-Backbone interact. energy: -1.840
local terms energy: -529.391031
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -89.889
flat angles C4'-P-C4' energy: -119.359
flat angles P-C4'-P energy: -69.554
tors. eta vs tors. theta energy: -154.293
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: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1735.400229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.400229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.400229 (E_RNA)
where:
Base-Base interactions energy: -1238.171
where: short stacking energy: -503.119
Base-Backbone interact. energy: -2.417
local terms energy: -494.812737
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -84.942
flat angles C4'-P-C4' energy: -105.376
flat angles P-C4'-P energy: -69.535
tors. eta vs tors. theta energy: -144.713
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1625.107185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.107185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.107185 (E_RNA)
where:
Base-Base interactions energy: -1145.751
where: short stacking energy: -457.200
Base-Backbone interact. energy: -0.558
local terms energy: -478.798238
where:
bonds (distance) C4'-P energy: -71.252
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -109.630
flat angles P-C4'-P energy: -74.304
tors. eta vs tors. theta energy: -128.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1580.639746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.639746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.639746 (E_RNA)
where:
Base-Base interactions energy: -1135.043
where: short stacking energy: -467.045
Base-Backbone interact. energy: 0.624
local terms energy: -446.220116
where:
bonds (distance) C4'-P energy: -82.131
bonds (distance) P-C4' energy: -82.698
flat angles C4'-P-C4' energy: -103.191
flat angles P-C4'-P energy: -54.110
tors. eta vs tors. theta energy: -124.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1387.599017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.599017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.599017 (E_RNA)
where:
Base-Base interactions energy: -940.731
where: short stacking energy: -385.183
Base-Backbone interact. energy: -0.790
local terms energy: -446.077505
where:
bonds (distance) C4'-P energy: -79.983
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -98.491
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -103.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1168.522708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.522708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.522708 (E_RNA)
where:
Base-Base interactions energy: -746.484
where: short stacking energy: -332.752
Base-Backbone interact. energy: -1.736
local terms energy: -420.302947
where:
bonds (distance) C4'-P energy: -87.695
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -91.243
flat angles P-C4'-P energy: -56.399
tors. eta vs tors. theta energy: -87.722
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: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1085.779937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.779937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.779937 (E_RNA)
where:
Base-Base interactions energy: -732.850
where: short stacking energy: -306.348
Base-Backbone interact. energy: 3.175
local terms energy: -356.105001
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -72.813
flat angles C4'-P-C4' energy: -93.355
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -71.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -689.003444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.003444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.003444 (E_RNA)
where:
Base-Base interactions energy: -411.233
where: short stacking energy: -206.472
Base-Backbone interact. energy: -0.095
local terms energy: -277.675593
where:
bonds (distance) C4'-P energy: -65.643
bonds (distance) P-C4' energy: -68.753
flat angles C4'-P-C4' energy: -84.324
flat angles P-C4'-P energy: -35.522
tors. eta vs tors. theta energy: -23.433
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: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1819.344828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.344828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.344828 (E_RNA)
where:
Base-Base interactions energy: -1287.757
where: short stacking energy: -526.677
Base-Backbone interact. energy: 0.737
local terms energy: -532.324753
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -100.545
flat angles C4'-P-C4' energy: -110.485
flat angles P-C4'-P energy: -80.590
tors. eta vs tors. theta energy: -149.868
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1783.522558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.522558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.522558 (E_RNA)
where:
Base-Base interactions energy: -1244.374
where: short stacking energy: -522.396
Base-Backbone interact. energy: -0.872
local terms energy: -538.276018
where:
bonds (distance) C4'-P energy: -98.016
bonds (distance) P-C4' energy: -101.006
flat angles C4'-P-C4' energy: -113.373
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -152.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1734.896994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.896994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.896994 (E_RNA)
where:
Base-Base interactions energy: -1219.164
where: short stacking energy: -516.391
Base-Backbone interact. energy: -3.361
local terms energy: -512.371664
where:
bonds (distance) C4'-P energy: -89.819
bonds (distance) P-C4' energy: -86.466
flat angles C4'-P-C4' energy: -110.937
flat angles P-C4'-P energy: -73.067
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1664.564830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.564830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.564830 (E_RNA)
where:
Base-Base interactions energy: -1177.463
where: short stacking energy: -486.697
Base-Backbone interact. energy: -4.295
local terms energy: -482.807140
where:
bonds (distance) C4'-P energy: -81.687
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -103.448
flat angles P-C4'-P energy: -65.430
tors. eta vs tors. theta energy: -139.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1651.268930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.268930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.268930 (E_RNA)
where:
Base-Base interactions energy: -1187.729
where: short stacking energy: -490.963
Base-Backbone interact. energy: -3.180
local terms energy: -460.360142
where:
bonds (distance) C4'-P energy: -73.185
bonds (distance) P-C4' energy: -88.641
flat angles C4'-P-C4' energy: -104.919
flat angles P-C4'-P energy: -54.893
tors. eta vs tors. theta energy: -138.721
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: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1590.344729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.344729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.344729 (E_RNA)
where:
Base-Base interactions energy: -1128.227
where: short stacking energy: -452.190
Base-Backbone interact. energy: -1.326
local terms energy: -460.791812
where:
bonds (distance) C4'-P energy: -78.107
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -95.905
flat angles P-C4'-P energy: -70.070
tors. eta vs tors. theta energy: -131.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1348.730276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.730276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.730276 (E_RNA)
where:
Base-Base interactions energy: -915.323
where: short stacking energy: -409.938
Base-Backbone interact. energy: 2.518
local terms energy: -435.924989
where:
bonds (distance) C4'-P energy: -70.596
bonds (distance) P-C4' energy: -100.761
flat angles C4'-P-C4' energy: -92.384
flat angles P-C4'-P energy: -62.395
tors. eta vs tors. theta energy: -109.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1148.409013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.409013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.409013 (E_RNA)
where:
Base-Base interactions energy: -742.526
where: short stacking energy: -309.332
Base-Backbone interact. energy: -1.863
local terms energy: -404.020325
where:
bonds (distance) C4'-P energy: -84.465
bonds (distance) P-C4' energy: -95.777
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -58.705
tors. eta vs tors. theta energy: -78.228
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: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1100.653430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.653430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.653430 (E_RNA)
where:
Base-Base interactions energy: -726.610
where: short stacking energy: -336.293
Base-Backbone interact. energy: 0.807
local terms energy: -374.851139
where:
bonds (distance) C4'-P energy: -81.641
bonds (distance) P-C4' energy: -78.764
flat angles C4'-P-C4' energy: -84.817
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -79.704
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: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -671.695731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.695731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.695731 (E_RNA)
where:
Base-Base interactions energy: -401.146
where: short stacking energy: -172.579
Base-Backbone interact. energy: -3.079
local terms energy: -267.469965
where:
bonds (distance) C4'-P energy: -68.031
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -61.128
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1848.284382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.284382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.284382 (E_RNA)
where:
Base-Base interactions energy: -1303.352
where: short stacking energy: -547.198
Base-Backbone interact. energy: -2.726
local terms energy: -542.206069
where:
bonds (distance) C4'-P energy: -93.931
bonds (distance) P-C4' energy: -98.495
flat angles C4'-P-C4' energy: -117.065
flat angles P-C4'-P energy: -78.271
tors. eta vs tors. theta energy: -154.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1781.343303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.343303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.343303 (E_RNA)
where:
Base-Base interactions energy: -1247.415
where: short stacking energy: -539.957
Base-Backbone interact. energy: -0.772
local terms energy: -533.156219
where:
bonds (distance) C4'-P energy: -91.876
bonds (distance) P-C4' energy: -94.857
flat angles C4'-P-C4' energy: -112.183
flat angles P-C4'-P energy: -85.156
tors. eta vs tors. theta energy: -149.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1776.806687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.806687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.806687 (E_RNA)
where:
Base-Base interactions energy: -1236.972
where: short stacking energy: -529.396
Base-Backbone interact. energy: 0.017
local terms energy: -539.852133
where:
bonds (distance) C4'-P energy: -99.305
bonds (distance) P-C4' energy: -91.622
flat angles C4'-P-C4' energy: -107.430
flat angles P-C4'-P energy: -84.529
tors. eta vs tors. theta energy: -156.966
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: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1646.668062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.668062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.668062 (E_RNA)
where:
Base-Base interactions energy: -1179.592
where: short stacking energy: -479.708
Base-Backbone interact. energy: -1.539
local terms energy: -465.537301
where:
bonds (distance) C4'-P energy: -94.502
bonds (distance) P-C4' energy: -73.160
flat angles C4'-P-C4' energy: -93.736
flat angles P-C4'-P energy: -66.904
tors. eta vs tors. theta energy: -137.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1622.427391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.427391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.427391 (E_RNA)
where:
Base-Base interactions energy: -1131.838
where: short stacking energy: -475.769
Base-Backbone interact. energy: -0.553
local terms energy: -490.036362
where:
bonds (distance) C4'-P energy: -82.682
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -115.171
flat angles P-C4'-P energy: -68.174
tors. eta vs tors. theta energy: -136.326
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: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1600.311088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.311088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.311088 (E_RNA)
where:
Base-Base interactions energy: -1127.145
where: short stacking energy: -474.391
Base-Backbone interact. energy: -1.225
local terms energy: -471.941307
where:
bonds (distance) C4'-P energy: -73.345
bonds (distance) P-C4' energy: -85.953
flat angles C4'-P-C4' energy: -107.737
flat angles P-C4'-P energy: -54.615
tors. eta vs tors. theta energy: -150.292
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: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1380.128293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.128293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.128293 (E_RNA)
where:
Base-Base interactions energy: -967.300
where: short stacking energy: -398.166
Base-Backbone interact. energy: -0.906
local terms energy: -411.921950
where:
bonds (distance) C4'-P energy: -85.567
bonds (distance) P-C4' energy: -89.194
flat angles C4'-P-C4' energy: -89.974
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -101.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1125.992758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.992758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.992758 (E_RNA)
where:
Base-Base interactions energy: -760.332
where: short stacking energy: -321.928
Base-Backbone interact. energy: -1.340
local terms energy: -364.320543
where:
bonds (distance) C4'-P energy: -70.830
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -57.280
tors. eta vs tors. theta energy: -78.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1078.328674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.328674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.328674 (E_RNA)
where:
Base-Base interactions energy: -718.085
where: short stacking energy: -328.217
Base-Backbone interact. energy: -0.792
local terms energy: -359.451750
where:
bonds (distance) C4'-P energy: -62.308
bonds (distance) P-C4' energy: -78.845
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -79.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -748.316346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.316346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.316346 (E_RNA)
where:
Base-Base interactions energy: -457.329
where: short stacking energy: -213.097
Base-Backbone interact. energy: 0.036
local terms energy: -291.023852
where:
bonds (distance) C4'-P energy: -80.790
bonds (distance) P-C4' energy: -80.153
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -21.637
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: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1854.283983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.283983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.283983 (E_RNA)
where:
Base-Base interactions energy: -1310.172
where: short stacking energy: -551.333
Base-Backbone interact. energy: -2.137
local terms energy: -541.975181
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -89.672
flat angles C4'-P-C4' energy: -118.095
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -153.777
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: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1777.397669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.397669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.397669 (E_RNA)
where:
Base-Base interactions energy: -1251.064
where: short stacking energy: -521.875
Base-Backbone interact. energy: -1.617
local terms energy: -524.716103
where:
bonds (distance) C4'-P energy: -84.940
bonds (distance) P-C4' energy: -97.316
flat angles C4'-P-C4' energy: -109.939
flat angles P-C4'-P energy: -78.493
tors. eta vs tors. theta energy: -154.027
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: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1742.290239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.290239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.290239 (E_RNA)
where:
Base-Base interactions energy: -1239.450
where: short stacking energy: -513.030
Base-Backbone interact. energy: -0.534
local terms energy: -502.306665
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -82.340
flat angles C4'-P-C4' energy: -103.449
flat angles P-C4'-P energy: -76.316
tors. eta vs tors. theta energy: -147.114
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: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1665.854258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.854258 (E_RNA)
where:
Base-Base interactions energy: -1170.267
where: short stacking energy: -504.275
Base-Backbone interact. energy: -2.683
local terms energy: -492.904879
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -104.433
flat angles C4'-P-C4' energy: -105.206
flat angles P-C4'-P energy: -65.918
tors. eta vs tors. theta energy: -138.707
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: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1644.592840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.592840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.592840 (E_RNA)
where:
Base-Base interactions energy: -1167.300
where: short stacking energy: -484.494
Base-Backbone interact. energy: -2.796
local terms energy: -474.496294
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -80.206
flat angles C4'-P-C4' energy: -108.914
flat angles P-C4'-P energy: -59.353
tors. eta vs tors. theta energy: -141.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1614.298849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.298849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.298849 (E_RNA)
where:
Base-Base interactions energy: -1136.902
where: short stacking energy: -449.117
Base-Backbone interact. energy: -3.741
local terms energy: -473.656382
where:
bonds (distance) C4'-P energy: -79.448
bonds (distance) P-C4' energy: -91.148
flat angles C4'-P-C4' energy: -100.168
flat angles P-C4'-P energy: -70.646
tors. eta vs tors. theta energy: -132.246
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: 498
Temperature: 1.200000
Total energy: -1369.406062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.406062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.406062 (E_RNA)
where:
Base-Base interactions energy: -952.914
where: short stacking energy: -409.118
Base-Backbone interact. energy: 6.659
local terms energy: -423.151209
where:
bonds (distance) C4'-P energy: -73.627
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -60.968
tors. eta vs tors. theta energy: -109.192
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: 498
Temperature: 1.250000
Total energy: -1132.440632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.440632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.440632 (E_RNA)
where:
Base-Base interactions energy: -759.069
where: short stacking energy: -337.824
Base-Backbone interact. energy: 2.513
local terms energy: -375.884468
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -77.672
flat angles P-C4'-P energy: -60.300
tors. eta vs tors. theta energy: -85.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1043.414231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.414231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.414231 (E_RNA)
where:
Base-Base interactions energy: -682.116
where: short stacking energy: -296.685
Base-Backbone interact. energy: 1.426
local terms energy: -362.724391
where:
bonds (distance) C4'-P energy: -75.265
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -88.816
flat angles P-C4'-P energy: -55.116
tors. eta vs tors. theta energy: -65.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -673.688909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.688909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.688909 (E_RNA)
where:
Base-Base interactions energy: -378.409
where: short stacking energy: -187.345
Base-Backbone interact. energy: -0.539
local terms energy: -294.740056
where:
bonds (distance) C4'-P energy: -85.895
bonds (distance) P-C4' energy: -79.258
flat angles C4'-P-C4' energy: -62.705
flat angles P-C4'-P energy: -44.946
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1863.378241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.378241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.378241 (E_RNA)
where:
Base-Base interactions energy: -1308.772
where: short stacking energy: -542.831
Base-Backbone interact. energy: -2.130
local terms energy: -552.475577
where:
bonds (distance) C4'-P energy: -90.713
bonds (distance) P-C4' energy: -105.778
flat angles C4'-P-C4' energy: -115.825
flat angles P-C4'-P energy: -87.616
tors. eta vs tors. theta energy: -152.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1786.126864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.126864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.126864 (E_RNA)
where:
Base-Base interactions energy: -1244.056
where: short stacking energy: -533.492
Base-Backbone interact. energy: -2.063
local terms energy: -540.007639
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -110.823
flat angles C4'-P-C4' energy: -113.704
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -164.979
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1752.091311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.091311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.091311 (E_RNA)
where:
Base-Base interactions energy: -1239.586
where: short stacking energy: -516.025
Base-Backbone interact. energy: 3.205
local terms energy: -515.710080
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -83.803
flat angles C4'-P-C4' energy: -107.491
flat angles P-C4'-P energy: -78.315
tors. eta vs tors. theta energy: -146.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1676.373737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.373737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.373737 (E_RNA)
where:
Base-Base interactions energy: -1169.481
where: short stacking energy: -490.354
Base-Backbone interact. energy: -1.378
local terms energy: -505.514742
where:
bonds (distance) C4'-P energy: -106.343
bonds (distance) P-C4' energy: -92.769
flat angles C4'-P-C4' energy: -105.563
flat angles P-C4'-P energy: -55.739
tors. eta vs tors. theta energy: -145.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1673.011893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.011893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.011893 (E_RNA)
where:
Base-Base interactions energy: -1176.184
where: short stacking energy: -500.175
Base-Backbone interact. energy: 3.225
local terms energy: -500.053503
where:
bonds (distance) C4'-P energy: -100.819
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -67.255
tors. eta vs tors. theta energy: -149.977
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: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1601.210961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.210961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.210961 (E_RNA)
where:
Base-Base interactions energy: -1132.155
where: short stacking energy: -464.036
Base-Backbone interact. energy: 1.036
local terms energy: -470.092374
where:
bonds (distance) C4'-P energy: -72.128
bonds (distance) P-C4' energy: -95.902
flat angles C4'-P-C4' energy: -100.503
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -141.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1338.018159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.018159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.018159 (E_RNA)
where:
Base-Base interactions energy: -937.301
where: short stacking energy: -388.195
Base-Backbone interact. energy: -1.935
local terms energy: -398.782934
where:
bonds (distance) C4'-P energy: -79.080
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -89.874
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -98.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1149.997002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.997002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.997002 (E_RNA)
where:
Base-Base interactions energy: -740.636
where: short stacking energy: -347.366
Base-Backbone interact. energy: -3.280
local terms energy: -406.081227
where:
bonds (distance) C4'-P energy: -79.290
bonds (distance) P-C4' energy: -79.216
flat angles C4'-P-C4' energy: -102.053
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -94.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1050.949401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.949401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.949401 (E_RNA)
where:
Base-Base interactions energy: -671.932
where: short stacking energy: -302.842
Base-Backbone interact. energy: -4.516
local terms energy: -374.500856
where:
bonds (distance) C4'-P energy: -73.608
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -85.133
flat angles P-C4'-P energy: -43.759
tors. eta vs tors. theta energy: -73.976
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: 499
Temperature: 1.350000
Total energy: -696.612106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.612106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.612106 (E_RNA)
where:
Base-Base interactions energy: -392.029
where: short stacking energy: -193.384
Base-Backbone interact. energy: -1.397
local terms energy: -303.186542
where:
bonds (distance) C4'-P energy: -78.764
bonds (distance) P-C4' energy: -83.843
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -18.159
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: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1843.444757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.444757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.444757 (E_RNA)
where:
Base-Base interactions energy: -1303.060
where: short stacking energy: -525.723
Base-Backbone interact. energy: -2.891
local terms energy: -537.493333
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -93.361
flat angles C4'-P-C4' energy: -119.747
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -150.285
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: 500
Temperature: 0.950000
Total energy: -1782.602980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.602980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.602980 (E_RNA)
where:
Base-Base interactions energy: -1227.955
where: short stacking energy: -523.879
Base-Backbone interact. energy: -1.047
local terms energy: -553.601379
where:
bonds (distance) C4'-P energy: -105.865
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -117.327
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -156.728
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: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1763.552181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.552181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.552181 (E_RNA)
where:
Base-Base interactions energy: -1249.491
where: short stacking energy: -516.216
Base-Backbone interact. energy: -1.145
local terms energy: -512.916246
where:
bonds (distance) C4'-P energy: -87.424
bonds (distance) P-C4' energy: -85.702
flat angles C4'-P-C4' energy: -115.705
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -149.436
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: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1656.658385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.658385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.658385 (E_RNA)
where:
Base-Base interactions energy: -1183.532
where: short stacking energy: -472.881
Base-Backbone interact. energy: -2.180
local terms energy: -470.946860
where:
bonds (distance) C4'-P energy: -97.780
bonds (distance) P-C4' energy: -86.135
flat angles C4'-P-C4' energy: -88.186
flat angles P-C4'-P energy: -60.204
tors. eta vs tors. theta energy: -138.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1655.482262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.482262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.482262 (E_RNA)
where:
Base-Base interactions energy: -1170.945
where: short stacking energy: -495.739
Base-Backbone interact. energy: -2.379
local terms energy: -482.158028
where:
bonds (distance) C4'-P energy: -87.782
bonds (distance) P-C4' energy: -81.337
flat angles C4'-P-C4' energy: -104.904
flat angles P-C4'-P energy: -65.381
tors. eta vs tors. theta energy: -142.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1626.543772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.543772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.543772 (E_RNA)
where:
Base-Base interactions energy: -1138.383
where: short stacking energy: -462.649
Base-Backbone interact. energy: -2.069
local terms energy: -486.091661
where:
bonds (distance) C4'-P energy: -91.578
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -96.495
flat angles P-C4'-P energy: -69.661
tors. eta vs tors. theta energy: -132.190
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: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1388.327248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.327248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.327248 (E_RNA)
where:
Base-Base interactions energy: -967.624
where: short stacking energy: -397.341
Base-Backbone interact. energy: -1.135
local terms energy: -419.568661
where:
bonds (distance) C4'-P energy: -61.739
bonds (distance) P-C4' energy: -81.977
flat angles C4'-P-C4' energy: -96.085
flat angles P-C4'-P energy: -62.681
tors. eta vs tors. theta energy: -117.087
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: 500
Temperature: 1.250000
Total energy: -1115.781894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.781894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.781894 (E_RNA)
where:
Base-Base interactions energy: -732.755
where: short stacking energy: -298.220
Base-Backbone interact. energy: -1.584
local terms energy: -381.442355
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -76.039
flat angles C4'-P-C4' energy: -83.637
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1052.102259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.102259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.102259 (E_RNA)
where:
Base-Base interactions energy: -692.887
where: short stacking energy: -300.655
Base-Backbone interact. energy: -2.360
local terms energy: -356.854915
where:
bonds (distance) C4'-P energy: -78.437
bonds (distance) P-C4' energy: -84.990
flat angles C4'-P-C4' energy: -84.788
flat angles P-C4'-P energy: -49.749
tors. eta vs tors. theta energy: -58.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -708.288391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.288391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.288391 (E_RNA)
where:
Base-Base interactions energy: -422.564
where: short stacking energy: -204.634
Base-Backbone interact. energy: -4.405
local terms energy: -281.319470
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -73.409
flat angles C4'-P-C4' energy: -82.444
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1852.085528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.085528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.085528 (E_RNA)
where:
Base-Base interactions energy: -1315.924
where: short stacking energy: -534.825
Base-Backbone interact. energy: -2.763
local terms energy: -533.398409
where:
bonds (distance) C4'-P energy: -87.734
bonds (distance) P-C4' energy: -97.385
flat angles C4'-P-C4' energy: -114.469
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -152.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1782.681221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.681221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.681221 (E_RNA)
where:
Base-Base interactions energy: -1268.235
where: short stacking energy: -534.837
Base-Backbone interact. energy: -2.506
local terms energy: -511.940583
where:
bonds (distance) C4'-P energy: -75.468
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -112.287
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -144.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1753.856702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.856702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.856702 (E_RNA)
where:
Base-Base interactions energy: -1233.866
where: short stacking energy: -529.052
Base-Backbone interact. energy: -2.639
local terms energy: -517.351930
where:
bonds (distance) C4'-P energy: -95.162
bonds (distance) P-C4' energy: -80.486
flat angles C4'-P-C4' energy: -107.183
flat angles P-C4'-P energy: -78.273
tors. eta vs tors. theta energy: -156.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1681.154735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.154735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.154735 (E_RNA)
where:
Base-Base interactions energy: -1182.438
where: short stacking energy: -498.039
Base-Backbone interact. energy: 1.858
local terms energy: -500.574278
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -100.818
flat angles P-C4'-P energy: -66.324
tors. eta vs tors. theta energy: -144.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1620.711656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.711656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.711656 (E_RNA)
where:
Base-Base interactions energy: -1131.029
where: short stacking energy: -464.799
Base-Backbone interact. energy: -0.796
local terms energy: -488.887541
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -90.752
flat angles C4'-P-C4' energy: -105.610
flat angles P-C4'-P energy: -71.405
tors. eta vs tors. theta energy: -132.637
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: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1599.691909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.691909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.691909 (E_RNA)
where:
Base-Base interactions energy: -1115.064
where: short stacking energy: -462.233
Base-Backbone interact. energy: 0.205
local terms energy: -484.833238
where:
bonds (distance) C4'-P energy: -92.608
bonds (distance) P-C4' energy: -84.224
flat angles C4'-P-C4' energy: -100.732
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -137.584
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: 501
Temperature: 1.200000
Total energy: -1368.462962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.462962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.462962 (E_RNA)
where:
Base-Base interactions energy: -951.429
where: short stacking energy: -402.740
Base-Backbone interact. energy: 0.393
local terms energy: -417.426955
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -86.748
flat angles C4'-P-C4' energy: -92.499
flat angles P-C4'-P energy: -60.131
tors. eta vs tors. theta energy: -108.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1088.524501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.524501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.524501 (E_RNA)
where:
Base-Base interactions energy: -729.448
where: short stacking energy: -326.725
Base-Backbone interact. energy: 0.054
local terms energy: -359.130751
where:
bonds (distance) C4'-P energy: -68.405
bonds (distance) P-C4' energy: -87.220
flat angles C4'-P-C4' energy: -80.015
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -70.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1060.173826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.173826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.173826 (E_RNA)
where:
Base-Base interactions energy: -680.353
where: short stacking energy: -291.639
Base-Backbone interact. energy: -0.672
local terms energy: -379.149668
where:
bonds (distance) C4'-P energy: -71.468
bonds (distance) P-C4' energy: -89.166
flat angles C4'-P-C4' energy: -89.227
flat angles P-C4'-P energy: -57.923
tors. eta vs tors. theta energy: -71.366
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: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -722.040151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.040151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.040151 (E_RNA)
where:
Base-Base interactions energy: -444.599
where: short stacking energy: -210.433
Base-Backbone interact. energy: 7.153
local terms energy: -284.594442
where:
bonds (distance) C4'-P energy: -83.192
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -70.763
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -21.146
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 69379694
moves confirmed later: 74775364
all moves confirmed: 144155058
percent of confirmed moves: 18.019382
current total energy: -1782.683213
recalc. total energy: -1782.683213
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 69982937
moves confirmed later: 75374270
all moves confirmed: 145357207
percent of confirmed moves: 18.169651
current total energy: -1684.748975
recalc. total energy: -1684.748975
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 67479584
moves confirmed later: 72210608
all moves confirmed: 139690192
percent of confirmed moves: 17.461274
current total energy: -1619.683729
recalc. total energy: -1619.683729
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 67694293
moves confirmed later: 72381268
all moves confirmed: 140075561
percent of confirmed moves: 17.509445
current total energy: -1531.811163
recalc. total energy: -1531.811163
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 80392558
moves confirmed later: 89168791
all moves confirmed: 169561349
percent of confirmed moves: 21.195169
current total energy: -1509.873699
recalc. total energy: -1509.873699
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 71120743
moves confirmed later: 76949219
all moves confirmed: 148069962
percent of confirmed moves: 18.508745
current total energy: -1549.428492
recalc. total energy: -1549.428492
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 84172070
moves confirmed later: 93538572
all moves confirmed: 177710642
percent of confirmed moves: 22.213830
current total energy: -1316.539955
recalc. total energy: -1316.539955
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 111047535
moves confirmed later: 128411094
all moves confirmed: 239458629
percent of confirmed moves: 29.932329
current total energy: -1057.228873
recalc. total energy: -1057.228873
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 128098481
moves confirmed later: 150307989
all moves confirmed: 278406470
percent of confirmed moves: 34.800809
current total energy: -894.016655
recalc. total energy: -894.016655
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 146227668
moves confirmed later: 173986480
all moves confirmed: 320214148
percent of confirmed moves: 40.026769
current total energy: -574.351306
recalc. total energy: -574.351306
out arg RESULTS//1/Corn2-89bd1275_01
Time of doing 8000000 iterations: 32652.172 seconds