SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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/De_denv1_Replica_RNA-0e472d10/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 189 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 189 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 950
n_atoms_counter: 950
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 189.000000 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: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -2148.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.684959 (E_RNA)
where:
Base-Base interactions energy: -1493.840
where: short stacking energy: -595.135
Base-Backbone interact. energy: 1.426
local terms energy: -656.271315
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.868
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -169.009
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -2147.327287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.327287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.327287 (E_RNA)
where:
Base-Base interactions energy: -1488.131
where: short stacking energy: -593.540
Base-Backbone interact. energy: 1.024
local terms energy: -660.220718
where:
bonds (distance) C4'-P energy: -98.624
bonds (distance) P-C4' energy: -152.361
flat angles C4'-P-C4' energy: -141.068
flat angles P-C4'-P energy: -99.577
tors. eta vs tors. theta energy: -168.590
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -2146.818067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.818067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.818067 (E_RNA)
where:
Base-Base interactions energy: -1492.395
where: short stacking energy: -594.539
Base-Backbone interact. energy: 1.439
local terms energy: -655.862241
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.618
flat angles P-C4'-P energy: -99.414
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -2146.416252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.416252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.416252 (E_RNA)
where:
Base-Base interactions energy: -1485.891
where: short stacking energy: -591.084
Base-Backbone interact. energy: 0.959
local terms energy: -661.485031
where:
bonds (distance) C4'-P energy: -98.322
bonds (distance) P-C4' energy: -153.931
flat angles C4'-P-C4' energy: -141.112
flat angles P-C4'-P energy: -99.473
tors. eta vs tors. theta energy: -168.647
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -2145.240775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.240775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.240775 (E_RNA)
where:
Base-Base interactions energy: -1491.148
where: short stacking energy: -594.538
Base-Backbone interact. energy: 1.440
local terms energy: -655.533489
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.423
flat angles P-C4'-P energy: -99.280
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -2145.265982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.265982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.265982 (E_RNA)
where:
Base-Base interactions energy: -1491.174
where: short stacking energy: -594.538
Base-Backbone interact. energy: 1.441
local terms energy: -655.533489
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.423
flat angles P-C4'-P energy: -99.280
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -2144.956058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.956058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.956058 (E_RNA)
where:
Base-Base interactions energy: -1490.864
where: short stacking energy: -594.364
Base-Backbone interact. energy: 1.442
local terms energy: -655.533489
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.423
flat angles P-C4'-P energy: -99.280
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -2143.157952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.157952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.157952 (E_RNA)
where:
Base-Base interactions energy: -1489.116
where: short stacking energy: -593.821
Base-Backbone interact. energy: 1.442
local terms energy: -655.484773
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.423
flat angles P-C4'-P energy: -99.231
tors. eta vs tors. theta energy: -168.942
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -2142.176601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.176601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.176601 (E_RNA)
where:
Base-Base interactions energy: -1488.080
where: short stacking energy: -593.820
Base-Backbone interact. energy: 1.443
local terms energy: -655.540040
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -140.423
flat angles P-C4'-P energy: -99.231
tors. eta vs tors. theta energy: -168.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -2146.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.610063 (E_RNA)
where:
Base-Base interactions energy: -1491.552
where: short stacking energy: -593.896
Base-Backbone interact. energy: 1.426
local terms energy: -656.484296
where:
bonds (distance) C4'-P energy: -93.649
bonds (distance) P-C4' energy: -153.935
flat angles C4'-P-C4' energy: -140.673
flat angles P-C4'-P energy: -99.421
tors. eta vs tors. theta energy: -168.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -2146.608498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.608498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.608498 (E_RNA)
where:
Base-Base interactions energy: -1491.550
where: short stacking energy: -593.895
Base-Backbone interact. energy: 1.426
local terms energy: -656.484296
where:
bonds (distance) C4'-P energy: -93.649
bonds (distance) P-C4' energy: -153.935
flat angles C4'-P-C4' energy: -140.673
flat angles P-C4'-P energy: -99.421
tors. eta vs tors. theta energy: -168.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -2137.130257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.130257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.130257 (E_RNA)
where:
Base-Base interactions energy: -1504.216
where: short stacking energy: -584.047
Base-Backbone interact. energy: -1.546
local terms energy: -631.368918
where:
bonds (distance) C4'-P energy: -108.330
bonds (distance) P-C4' energy: -115.912
flat angles C4'-P-C4' energy: -140.532
flat angles P-C4'-P energy: -90.421
tors. eta vs tors. theta energy: -176.173
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -2056.792163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.792163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.792163 (E_RNA)
where:
Base-Base interactions energy: -1442.488
where: short stacking energy: -579.414
Base-Backbone interact. energy: -1.339
local terms energy: -612.965207
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -112.027
flat angles C4'-P-C4' energy: -137.423
flat angles P-C4'-P energy: -88.241
tors. eta vs tors. theta energy: -160.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -2070.880449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.880449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.880449 (E_RNA)
where:
Base-Base interactions energy: -1466.717
where: short stacking energy: -555.612
Base-Backbone interact. energy: -2.756
local terms energy: -601.407946
where:
bonds (distance) C4'-P energy: -113.835
bonds (distance) P-C4' energy: -109.616
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -161.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1942.704600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.704600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.704600 (E_RNA)
where:
Base-Base interactions energy: -1361.153
where: short stacking energy: -515.790
Base-Backbone interact. energy: -7.708
local terms energy: -573.844210
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -121.692
flat angles C4'-P-C4' energy: -120.495
flat angles P-C4'-P energy: -81.108
tors. eta vs tors. theta energy: -152.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1879.528189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.528189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.528189 (E_RNA)
where:
Base-Base interactions energy: -1354.745
where: short stacking energy: -514.759
Base-Backbone interact. energy: 3.347
local terms energy: -528.130418
where:
bonds (distance) C4'-P energy: -98.951
bonds (distance) P-C4' energy: -95.471
flat angles C4'-P-C4' energy: -115.491
flat angles P-C4'-P energy: -76.469
tors. eta vs tors. theta energy: -141.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1754.360874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.360874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.360874 (E_RNA)
where:
Base-Base interactions energy: -1238.041
where: short stacking energy: -495.041
Base-Backbone interact. energy: -1.809
local terms energy: -514.510965
where:
bonds (distance) C4'-P energy: -93.703
bonds (distance) P-C4' energy: -101.249
flat angles C4'-P-C4' energy: -110.304
flat angles P-C4'-P energy: -65.769
tors. eta vs tors. theta energy: -143.486
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1667.151016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.151016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.151016 (E_RNA)
where:
Base-Base interactions energy: -1156.813
where: short stacking energy: -446.851
Base-Backbone interact. energy: -1.899
local terms energy: -508.439294
where:
bonds (distance) C4'-P energy: -105.610
bonds (distance) P-C4' energy: -113.578
flat angles C4'-P-C4' energy: -105.769
flat angles P-C4'-P energy: -72.368
tors. eta vs tors. theta energy: -111.115
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1579.022399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.022399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.022399 (E_RNA)
where:
Base-Base interactions energy: -1107.513
where: short stacking energy: -436.754
Base-Backbone interact. energy: -2.245
local terms energy: -469.264119
where:
bonds (distance) C4'-P energy: -83.199
bonds (distance) P-C4' energy: -109.207
flat angles C4'-P-C4' energy: -98.879
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -118.102
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: 3
Temperature: 1.300000
Total energy: -1482.693625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.693625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.693625 (E_RNA)
where:
Base-Base interactions energy: -1034.439
where: short stacking energy: -381.976
Base-Backbone interact. energy: 3.533
local terms energy: -451.787700
where:
bonds (distance) C4'-P energy: -83.806
bonds (distance) P-C4' energy: -110.937
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -99.138
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1400.495050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.495050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.495050 (E_RNA)
where:
Base-Base interactions energy: -982.069
where: short stacking energy: -362.787
Base-Backbone interact. energy: -0.134
local terms energy: -418.291324
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -83.639
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -96.542
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: 4
Temperature: 0.900000
Total energy: -2128.964447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.964447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.964447 (E_RNA)
where:
Base-Base interactions energy: -1483.436
where: short stacking energy: -564.509
Base-Backbone interact. energy: -2.007
local terms energy: -643.521312
where:
bonds (distance) C4'-P energy: -124.955
bonds (distance) P-C4' energy: -124.430
flat angles C4'-P-C4' energy: -134.722
flat angles P-C4'-P energy: -89.831
tors. eta vs tors. theta energy: -169.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -2057.146840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.146840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.146840 (E_RNA)
where:
Base-Base interactions energy: -1465.876
where: short stacking energy: -584.865
Base-Backbone interact. energy: -3.489
local terms energy: -587.781534
where:
bonds (distance) C4'-P energy: -108.465
bonds (distance) P-C4' energy: -102.426
flat angles C4'-P-C4' energy: -119.013
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -172.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -2009.871932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.871932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.871932 (E_RNA)
where:
Base-Base interactions energy: -1424.201
where: short stacking energy: -528.682
Base-Backbone interact. energy: 0.201
local terms energy: -585.871609
where:
bonds (distance) C4'-P energy: -110.545
bonds (distance) P-C4' energy: -107.740
flat angles C4'-P-C4' energy: -129.685
flat angles P-C4'-P energy: -82.154
tors. eta vs tors. theta energy: -155.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1935.289442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.289442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.289442 (E_RNA)
where:
Base-Base interactions energy: -1351.864
where: short stacking energy: -562.984
Base-Backbone interact. energy: 0.049
local terms energy: -583.474570
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -99.217
flat angles C4'-P-C4' energy: -127.495
flat angles P-C4'-P energy: -93.715
tors. eta vs tors. theta energy: -167.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1856.247019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.247019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.247019 (E_RNA)
where:
Base-Base interactions energy: -1321.820
where: short stacking energy: -494.140
Base-Backbone interact. energy: 2.791
local terms energy: -537.218627
where:
bonds (distance) C4'-P energy: -94.149
bonds (distance) P-C4' energy: -100.391
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -89.522
tors. eta vs tors. theta energy: -137.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1727.933442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.933442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.933442 (E_RNA)
where:
Base-Base interactions energy: -1212.026
where: short stacking energy: -485.139
Base-Backbone interact. energy: 0.829
local terms energy: -516.735956
where:
bonds (distance) C4'-P energy: -100.979
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -114.947
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -131.261
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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1647.295278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.295278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.295278 (E_RNA)
where:
Base-Base interactions energy: -1159.156
where: short stacking energy: -436.740
Base-Backbone interact. energy: -4.357
local terms energy: -483.781975
where:
bonds (distance) C4'-P energy: -88.004
bonds (distance) P-C4' energy: -95.479
flat angles C4'-P-C4' energy: -118.982
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -122.509
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1564.201825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.201825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.201825 (E_RNA)
where:
Base-Base interactions energy: -1105.003
where: short stacking energy: -428.710
Base-Backbone interact. energy: 0.602
local terms energy: -459.800175
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -80.912
flat angles C4'-P-C4' energy: -120.255
flat angles P-C4'-P energy: -63.056
tors. eta vs tors. theta energy: -111.500
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1449.026975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.026975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.026975 (E_RNA)
where:
Base-Base interactions energy: -978.350
where: short stacking energy: -395.295
Base-Backbone interact. energy: 1.451
local terms energy: -472.128240
where:
bonds (distance) C4'-P energy: -102.505
bonds (distance) P-C4' energy: -90.754
flat angles C4'-P-C4' energy: -113.229
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -100.158
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1369.932716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.932716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.932716 (E_RNA)
where:
Base-Base interactions energy: -967.205
where: short stacking energy: -389.401
Base-Backbone interact. energy: 1.940
local terms energy: -404.668205
where:
bonds (distance) C4'-P energy: -96.252
bonds (distance) P-C4' energy: -77.055
flat angles C4'-P-C4' energy: -99.184
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -81.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -2138.409031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.409031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.409031 (E_RNA)
where:
Base-Base interactions energy: -1537.201
where: short stacking energy: -588.177
Base-Backbone interact. energy: -3.692
local terms energy: -597.516415
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -108.317
flat angles C4'-P-C4' energy: -132.745
flat angles P-C4'-P energy: -84.819
tors. eta vs tors. theta energy: -165.531
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -2064.439967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.439967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.439967 (E_RNA)
where:
Base-Base interactions energy: -1446.264
where: short stacking energy: -597.026
Base-Backbone interact. energy: -1.644
local terms energy: -616.531672
where:
bonds (distance) C4'-P energy: -116.335
bonds (distance) P-C4' energy: -102.050
flat angles C4'-P-C4' energy: -139.313
flat angles P-C4'-P energy: -87.649
tors. eta vs tors. theta energy: -171.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1996.456035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.456035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.456035 (E_RNA)
where:
Base-Base interactions energy: -1406.324
where: short stacking energy: -571.711
Base-Backbone interact. energy: -1.108
local terms energy: -589.024207
where:
bonds (distance) C4'-P energy: -109.251
bonds (distance) P-C4' energy: -105.232
flat angles C4'-P-C4' energy: -124.922
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -163.751
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1904.659207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.659207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.659207 (E_RNA)
where:
Base-Base interactions energy: -1329.092
where: short stacking energy: -513.784
Base-Backbone interact. energy: 1.141
local terms energy: -576.708609
where:
bonds (distance) C4'-P energy: -91.711
bonds (distance) P-C4' energy: -115.799
flat angles C4'-P-C4' energy: -124.118
flat angles P-C4'-P energy: -89.862
tors. eta vs tors. theta energy: -155.218
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1809.517747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.517747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.517747 (E_RNA)
where:
Base-Base interactions energy: -1259.970
where: short stacking energy: -510.870
Base-Backbone interact. energy: 0.059
local terms energy: -549.607085
where:
bonds (distance) C4'-P energy: -101.028
bonds (distance) P-C4' energy: -105.476
flat angles C4'-P-C4' energy: -126.287
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -153.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1730.848595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.848595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.848595 (E_RNA)
where:
Base-Base interactions energy: -1212.547
where: short stacking energy: -493.996
Base-Backbone interact. energy: 5.525
local terms energy: -523.826552
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -113.625
flat angles C4'-P-C4' energy: -112.097
flat angles P-C4'-P energy: -75.715
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: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1652.921183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.921183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.921183 (E_RNA)
where:
Base-Base interactions energy: -1145.309
where: short stacking energy: -458.035
Base-Backbone interact. energy: -3.247
local terms energy: -504.365790
where:
bonds (distance) C4'-P energy: -91.215
bonds (distance) P-C4' energy: -107.128
flat angles C4'-P-C4' energy: -105.194
flat angles P-C4'-P energy: -60.703
tors. eta vs tors. theta energy: -140.126
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: 5
Temperature: 1.250000
Total energy: -1542.006167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.006167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.006167 (E_RNA)
where:
Base-Base interactions energy: -1083.696
where: short stacking energy: -415.153
Base-Backbone interact. energy: 0.583
local terms energy: -458.893587
where:
bonds (distance) C4'-P energy: -84.250
bonds (distance) P-C4' energy: -97.317
flat angles C4'-P-C4' energy: -107.407
flat angles P-C4'-P energy: -64.015
tors. eta vs tors. theta energy: -105.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1354.855503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.855503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.855503 (E_RNA)
where:
Base-Base interactions energy: -934.390
where: short stacking energy: -369.652
Base-Backbone interact. energy: 2.145
local terms energy: -422.610590
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -97.696
flat angles C4'-P-C4' energy: -95.909
flat angles P-C4'-P energy: -48.737
tors. eta vs tors. theta energy: -88.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1229.876486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.876486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.876486 (E_RNA)
where:
Base-Base interactions energy: -821.169
where: short stacking energy: -316.154
Base-Backbone interact. energy: 1.455
local terms energy: -410.162346
where:
bonds (distance) C4'-P energy: -86.977
bonds (distance) P-C4' energy: -106.933
flat angles C4'-P-C4' energy: -94.199
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -56.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -2078.283517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.283517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.283517 (E_RNA)
where:
Base-Base interactions energy: -1453.997
where: short stacking energy: -600.596
Base-Backbone interact. energy: 1.902
local terms energy: -626.189335
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -117.222
flat angles C4'-P-C4' energy: -133.506
flat angles P-C4'-P energy: -93.694
tors. eta vs tors. theta energy: -169.840
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -2085.617745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.617745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.617745 (E_RNA)
where:
Base-Base interactions energy: -1479.122
where: short stacking energy: -568.731
Base-Backbone interact. energy: -6.750
local terms energy: -599.745996
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -105.003
flat angles C4'-P-C4' energy: -128.783
flat angles P-C4'-P energy: -93.256
tors. eta vs tors. theta energy: -160.905
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -2007.764426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.764426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.764426 (E_RNA)
where:
Base-Base interactions energy: -1405.146
where: short stacking energy: -545.427
Base-Backbone interact. energy: -0.729
local terms energy: -601.889180
where:
bonds (distance) C4'-P energy: -115.303
bonds (distance) P-C4' energy: -109.619
flat angles C4'-P-C4' energy: -127.822
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -171.451
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1898.897724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.897724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.897724 (E_RNA)
where:
Base-Base interactions energy: -1339.703
where: short stacking energy: -528.134
Base-Backbone interact. energy: 0.294
local terms energy: -559.488742
where:
bonds (distance) C4'-P energy: -102.586
bonds (distance) P-C4' energy: -90.911
flat angles C4'-P-C4' energy: -126.091
flat angles P-C4'-P energy: -89.486
tors. eta vs tors. theta energy: -150.415
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1812.241694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.241694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.241694 (E_RNA)
where:
Base-Base interactions energy: -1268.700
where: short stacking energy: -489.903
Base-Backbone interact. energy: -0.599
local terms energy: -542.942616
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -103.642
flat angles C4'-P-C4' energy: -121.203
flat angles P-C4'-P energy: -82.769
tors. eta vs tors. theta energy: -135.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1702.286987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.286987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.286987 (E_RNA)
where:
Base-Base interactions energy: -1194.560
where: short stacking energy: -450.041
Base-Backbone interact. energy: -0.340
local terms energy: -507.386849
where:
bonds (distance) C4'-P energy: -102.562
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -115.607
flat angles P-C4'-P energy: -66.661
tors. eta vs tors. theta energy: -125.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1616.677679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.677679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.677679 (E_RNA)
where:
Base-Base interactions energy: -1142.279
where: short stacking energy: -438.993
Base-Backbone interact. energy: 0.842
local terms energy: -475.240426
where:
bonds (distance) C4'-P energy: -90.323
bonds (distance) P-C4' energy: -93.949
flat angles C4'-P-C4' energy: -108.011
flat angles P-C4'-P energy: -65.004
tors. eta vs tors. theta energy: -117.954
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1499.197245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.197245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.197245 (E_RNA)
where:
Base-Base interactions energy: -1043.694
where: short stacking energy: -399.334
Base-Backbone interact. energy: -0.337
local terms energy: -455.166230
where:
bonds (distance) C4'-P energy: -84.573
bonds (distance) P-C4' energy: -104.553
flat angles C4'-P-C4' energy: -100.069
flat angles P-C4'-P energy: -74.330
tors. eta vs tors. theta energy: -91.640
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: 6
Temperature: 1.300000
Total energy: -1308.489916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.489916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.489916 (E_RNA)
where:
Base-Base interactions energy: -902.091
where: short stacking energy: -352.249
Base-Backbone interact. energy: 4.073
local terms energy: -410.472592
where:
bonds (distance) C4'-P energy: -83.749
bonds (distance) P-C4' energy: -98.219
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -74.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1187.263163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.263163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.263163 (E_RNA)
where:
Base-Base interactions energy: -823.636
where: short stacking energy: -335.653
Base-Backbone interact. energy: -1.807
local terms energy: -361.820505
where:
bonds (distance) C4'-P energy: -78.225
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -78.801
flat angles P-C4'-P energy: -50.976
tors. eta vs tors. theta energy: -66.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -2114.302806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.302806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.302806 (E_RNA)
where:
Base-Base interactions energy: -1485.438
where: short stacking energy: -594.580
Base-Backbone interact. energy: -2.929
local terms energy: -625.935507
where:
bonds (distance) C4'-P energy: -107.497
bonds (distance) P-C4' energy: -118.448
flat angles C4'-P-C4' energy: -130.976
flat angles P-C4'-P energy: -93.631
tors. eta vs tors. theta energy: -175.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -2029.298913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.298913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.298913 (E_RNA)
where:
Base-Base interactions energy: -1433.502
where: short stacking energy: -585.211
Base-Backbone interact. energy: 1.504
local terms energy: -597.301032
where:
bonds (distance) C4'-P energy: -110.449
bonds (distance) P-C4' energy: -117.654
flat angles C4'-P-C4' energy: -132.308
flat angles P-C4'-P energy: -67.768
tors. eta vs tors. theta energy: -169.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -2018.490422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.490422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.490422 (E_RNA)
where:
Base-Base interactions energy: -1417.140
where: short stacking energy: -539.677
Base-Backbone interact. energy: -2.964
local terms energy: -598.386125
where:
bonds (distance) C4'-P energy: -111.393
bonds (distance) P-C4' energy: -117.643
flat angles C4'-P-C4' energy: -121.853
flat angles P-C4'-P energy: -84.834
tors. eta vs tors. theta energy: -162.663
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1927.976885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.976885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.976885 (E_RNA)
where:
Base-Base interactions energy: -1345.536
where: short stacking energy: -538.920
Base-Backbone interact. energy: -2.123
local terms energy: -580.317430
where:
bonds (distance) C4'-P energy: -115.240
bonds (distance) P-C4' energy: -97.260
flat angles C4'-P-C4' energy: -123.245
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -158.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1864.379156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.379156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.379156 (E_RNA)
where:
Base-Base interactions energy: -1304.701
where: short stacking energy: -524.579
Base-Backbone interact. energy: -1.587
local terms energy: -558.091144
where:
bonds (distance) C4'-P energy: -105.361
bonds (distance) P-C4' energy: -102.772
flat angles C4'-P-C4' energy: -116.461
flat angles P-C4'-P energy: -83.799
tors. eta vs tors. theta energy: -149.698
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: 7
Temperature: 1.150000
Total energy: -1761.521179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.521179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.521179 (E_RNA)
where:
Base-Base interactions energy: -1243.393
where: short stacking energy: -504.012
Base-Backbone interact. energy: 2.612
local terms energy: -520.740569
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -114.172
flat angles C4'-P-C4' energy: -110.567
flat angles P-C4'-P energy: -66.357
tors. eta vs tors. theta energy: -139.774
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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1649.706382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.706382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.706382 (E_RNA)
where:
Base-Base interactions energy: -1140.473
where: short stacking energy: -475.886
Base-Backbone interact. energy: 3.060
local terms energy: -512.293274
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -85.254
flat angles C4'-P-C4' energy: -117.225
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -133.762
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1532.916523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.916523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.916523 (E_RNA)
where:
Base-Base interactions energy: -1065.444
where: short stacking energy: -419.802
Base-Backbone interact. energy: -1.765
local terms energy: -465.707725
where:
bonds (distance) C4'-P energy: -92.764
bonds (distance) P-C4' energy: -102.035
flat angles C4'-P-C4' energy: -102.300
flat angles P-C4'-P energy: -62.568
tors. eta vs tors. theta energy: -106.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1256.437243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.437243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.437243 (E_RNA)
where:
Base-Base interactions energy: -830.728
where: short stacking energy: -353.071
Base-Backbone interact. energy: -1.634
local terms energy: -424.075138
where:
bonds (distance) C4'-P energy: -101.770
bonds (distance) P-C4' energy: -91.910
flat angles C4'-P-C4' energy: -98.827
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -86.226
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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1038.043117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.043117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.043117 (E_RNA)
where:
Base-Base interactions energy: -654.104
where: short stacking energy: -274.672
Base-Backbone interact. energy: -1.789
local terms energy: -382.150083
where:
bonds (distance) C4'-P energy: -75.107
bonds (distance) P-C4' energy: -100.326
flat angles C4'-P-C4' energy: -99.776
flat angles P-C4'-P energy: -63.428
tors. eta vs tors. theta energy: -43.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -2116.804540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.804540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.804540 (E_RNA)
where:
Base-Base interactions energy: -1480.566
where: short stacking energy: -605.136
Base-Backbone interact. energy: -0.003
local terms energy: -636.235543
where:
bonds (distance) C4'-P energy: -106.883
bonds (distance) P-C4' energy: -122.510
flat angles C4'-P-C4' energy: -126.710
flat angles P-C4'-P energy: -100.901
tors. eta vs tors. theta energy: -179.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -2017.947419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.947419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.947419 (E_RNA)
where:
Base-Base interactions energy: -1434.273
where: short stacking energy: -546.065
Base-Backbone interact. energy: -4.964
local terms energy: -578.709984
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -96.449
flat angles C4'-P-C4' energy: -125.790
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -160.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -2036.771928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.771928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.771928 (E_RNA)
where:
Base-Base interactions energy: -1442.764
where: short stacking energy: -557.942
Base-Backbone interact. energy: -3.266
local terms energy: -590.742268
where:
bonds (distance) C4'-P energy: -110.422
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -118.161
flat angles P-C4'-P energy: -87.396
tors. eta vs tors. theta energy: -164.732
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: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1872.391878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.391878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.391878 (E_RNA)
where:
Base-Base interactions energy: -1314.161
where: short stacking energy: -509.449
Base-Backbone interact. energy: -1.063
local terms energy: -557.167411
where:
bonds (distance) C4'-P energy: -103.322
bonds (distance) P-C4' energy: -113.860
flat angles C4'-P-C4' energy: -116.303
flat angles P-C4'-P energy: -82.486
tors. eta vs tors. theta energy: -141.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1791.568584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.568584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.568584 (E_RNA)
where:
Base-Base interactions energy: -1257.628
where: short stacking energy: -486.178
Base-Backbone interact. energy: -0.955
local terms energy: -532.985006
where:
bonds (distance) C4'-P energy: -90.927
bonds (distance) P-C4' energy: -103.747
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -78.194
tors. eta vs tors. theta energy: -141.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1776.230393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.230393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.230393 (E_RNA)
where:
Base-Base interactions energy: -1239.637
where: short stacking energy: -500.914
Base-Backbone interact. energy: -0.609
local terms energy: -535.983626
where:
bonds (distance) C4'-P energy: -92.762
bonds (distance) P-C4' energy: -101.926
flat angles C4'-P-C4' energy: -120.288
flat angles P-C4'-P energy: -65.148
tors. eta vs tors. theta energy: -155.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1655.158740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.158740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.158740 (E_RNA)
where:
Base-Base interactions energy: -1160.072
where: short stacking energy: -458.015
Base-Backbone interact. energy: -4.600
local terms energy: -490.486186
where:
bonds (distance) C4'-P energy: -92.573
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -115.297
flat angles P-C4'-P energy: -58.176
tors. eta vs tors. theta energy: -126.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1436.589275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.589275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.589275 (E_RNA)
where:
Base-Base interactions energy: -978.404
where: short stacking energy: -384.373
Base-Backbone interact. energy: -1.227
local terms energy: -456.958279
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -108.625
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -99.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1204.277133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.277133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.277133 (E_RNA)
where:
Base-Base interactions energy: -795.396
where: short stacking energy: -323.567
Base-Backbone interact. energy: -1.593
local terms energy: -407.288390
where:
bonds (distance) C4'-P energy: -91.144
bonds (distance) P-C4' energy: -78.242
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -72.051
tors. eta vs tors. theta energy: -58.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1009.656591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.656591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.656591 (E_RNA)
where:
Base-Base interactions energy: -649.324
where: short stacking energy: -293.672
Base-Backbone interact. energy: -0.676
local terms energy: -359.656165
where:
bonds (distance) C4'-P energy: -72.115
bonds (distance) P-C4' energy: -83.427
flat angles C4'-P-C4' energy: -94.540
flat angles P-C4'-P energy: -65.228
tors. eta vs tors. theta energy: -44.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -2100.802941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.802941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.802941 (E_RNA)
where:
Base-Base interactions energy: -1491.413
where: short stacking energy: -592.387
Base-Backbone interact. energy: -4.219
local terms energy: -605.170734
where:
bonds (distance) C4'-P energy: -119.073
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -125.600
flat angles P-C4'-P energy: -89.190
tors. eta vs tors. theta energy: -159.348
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -2034.172281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.172281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.172281 (E_RNA)
where:
Base-Base interactions energy: -1415.836
where: short stacking energy: -586.096
Base-Backbone interact. energy: 2.516
local terms energy: -620.851879
where:
bonds (distance) C4'-P energy: -103.073
bonds (distance) P-C4' energy: -113.684
flat angles C4'-P-C4' energy: -128.957
flat angles P-C4'-P energy: -99.814
tors. eta vs tors. theta energy: -175.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -2001.095186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.095186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.095186 (E_RNA)
where:
Base-Base interactions energy: -1401.336
where: short stacking energy: -555.962
Base-Backbone interact. energy: -3.636
local terms energy: -596.122710
where:
bonds (distance) C4'-P energy: -119.229
bonds (distance) P-C4' energy: -113.317
flat angles C4'-P-C4' energy: -119.283
flat angles P-C4'-P energy: -77.513
tors. eta vs tors. theta energy: -166.781
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: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1837.060329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.060329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.060329 (E_RNA)
where:
Base-Base interactions energy: -1263.030
where: short stacking energy: -497.217
Base-Backbone interact. energy: 1.807
local terms energy: -575.837063
where:
bonds (distance) C4'-P energy: -104.536
bonds (distance) P-C4' energy: -113.709
flat angles C4'-P-C4' energy: -127.870
flat angles P-C4'-P energy: -90.630
tors. eta vs tors. theta energy: -139.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1801.497540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.497540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.497540 (E_RNA)
where:
Base-Base interactions energy: -1257.646
where: short stacking energy: -507.317
Base-Backbone interact. energy: -1.201
local terms energy: -542.650466
where:
bonds (distance) C4'-P energy: -111.665
bonds (distance) P-C4' energy: -103.541
flat angles C4'-P-C4' energy: -112.406
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -146.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1730.195795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.195795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.195795 (E_RNA)
where:
Base-Base interactions energy: -1237.367
where: short stacking energy: -486.611
Base-Backbone interact. energy: 6.300
local terms energy: -499.129305
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -100.298
flat angles C4'-P-C4' energy: -119.389
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -131.536
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: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1642.822852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.822852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.822852 (E_RNA)
where:
Base-Base interactions energy: -1144.792
where: short stacking energy: -460.765
Base-Backbone interact. energy: -3.667
local terms energy: -494.364149
where:
bonds (distance) C4'-P energy: -88.462
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -105.989
flat angles P-C4'-P energy: -84.870
tors. eta vs tors. theta energy: -115.370
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1371.283434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.283434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.283434 (E_RNA)
where:
Base-Base interactions energy: -937.682
where: short stacking energy: -404.359
Base-Backbone interact. energy: 1.512
local terms energy: -435.113445
where:
bonds (distance) C4'-P energy: -92.646
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -105.048
flat angles P-C4'-P energy: -55.957
tors. eta vs tors. theta energy: -88.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1178.110635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.110635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.110635 (E_RNA)
where:
Base-Base interactions energy: -802.800
where: short stacking energy: -342.247
Base-Backbone interact. energy: 5.737
local terms energy: -381.047745
where:
bonds (distance) C4'-P energy: -81.768
bonds (distance) P-C4' energy: -85.009
flat angles C4'-P-C4' energy: -98.107
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -967.444230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.444230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.444230 (E_RNA)
where:
Base-Base interactions energy: -605.120
where: short stacking energy: -242.003
Base-Backbone interact. energy: -1.821
local terms energy: -360.504092
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -101.012
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -51.231
tors. eta vs tors. theta energy: -32.331
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: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2122.095774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.095774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.095774 (E_RNA)
where:
Base-Base interactions energy: -1508.967
where: short stacking energy: -588.269
Base-Backbone interact. energy: -4.597
local terms energy: -608.532694
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -129.529
flat angles P-C4'-P energy: -90.650
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -2044.997585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.997585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.997585 (E_RNA)
where:
Base-Base interactions energy: -1433.601
where: short stacking energy: -597.048
Base-Backbone interact. energy: 2.307
local terms energy: -613.703291
where:
bonds (distance) C4'-P energy: -121.574
bonds (distance) P-C4' energy: -107.292
flat angles C4'-P-C4' energy: -127.174
flat angles P-C4'-P energy: -85.944
tors. eta vs tors. theta energy: -171.719
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2021.182114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.182114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.182114 (E_RNA)
where:
Base-Base interactions energy: -1428.905
where: short stacking energy: -575.324
Base-Backbone interact. energy: -6.047
local terms energy: -586.230687
where:
bonds (distance) C4'-P energy: -105.285
bonds (distance) P-C4' energy: -103.807
flat angles C4'-P-C4' energy: -125.999
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -164.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1876.915783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.915783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.915783 (E_RNA)
where:
Base-Base interactions energy: -1333.072
where: short stacking energy: -551.879
Base-Backbone interact. energy: -0.361
local terms energy: -543.481954
where:
bonds (distance) C4'-P energy: -87.528
bonds (distance) P-C4' energy: -108.499
flat angles C4'-P-C4' energy: -130.989
flat angles P-C4'-P energy: -64.737
tors. eta vs tors. theta energy: -151.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1766.330053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.330053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.330053 (E_RNA)
where:
Base-Base interactions energy: -1222.727
where: short stacking energy: -491.807
Base-Backbone interact. energy: -0.355
local terms energy: -543.248039
where:
bonds (distance) C4'-P energy: -105.778
bonds (distance) P-C4' energy: -122.587
flat angles C4'-P-C4' energy: -112.638
flat angles P-C4'-P energy: -65.983
tors. eta vs tors. theta energy: -136.262
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: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1774.209806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.209806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.209806 (E_RNA)
where:
Base-Base interactions energy: -1237.304
where: short stacking energy: -484.369
Base-Backbone interact. energy: -2.204
local terms energy: -534.701229
where:
bonds (distance) C4'-P energy: -98.589
bonds (distance) P-C4' energy: -100.055
flat angles C4'-P-C4' energy: -122.099
flat angles P-C4'-P energy: -81.159
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: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1615.411451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.411451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.411451 (E_RNA)
where:
Base-Base interactions energy: -1113.656
where: short stacking energy: -450.790
Base-Backbone interact. energy: -1.281
local terms energy: -500.473948
where:
bonds (distance) C4'-P energy: -108.149
bonds (distance) P-C4' energy: -85.655
flat angles C4'-P-C4' energy: -116.753
flat angles P-C4'-P energy: -85.901
tors. eta vs tors. theta energy: -104.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1332.814882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.814882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.814882 (E_RNA)
where:
Base-Base interactions energy: -917.784
where: short stacking energy: -367.472
Base-Backbone interact. energy: -0.798
local terms energy: -414.232739
where:
bonds (distance) C4'-P energy: -79.400
bonds (distance) P-C4' energy: -92.958
flat angles C4'-P-C4' energy: -92.053
flat angles P-C4'-P energy: -77.335
tors. eta vs tors. theta energy: -72.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1218.451070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.451070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.451070 (E_RNA)
where:
Base-Base interactions energy: -795.928
where: short stacking energy: -338.653
Base-Backbone interact. energy: 0.855
local terms energy: -423.378164
where:
bonds (distance) C4'-P energy: -105.705
bonds (distance) P-C4' energy: -106.409
flat angles C4'-P-C4' energy: -84.609
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -82.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -980.842790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.842790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.842790 (E_RNA)
where:
Base-Base interactions energy: -604.703
where: short stacking energy: -273.046
Base-Backbone interact. energy: 2.748
local terms energy: -378.888467
where:
bonds (distance) C4'-P energy: -81.794
bonds (distance) P-C4' energy: -88.771
flat angles C4'-P-C4' energy: -90.734
flat angles P-C4'-P energy: -69.047
tors. eta vs tors. theta energy: -48.541
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: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -2138.230439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.230439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.230439 (E_RNA)
where:
Base-Base interactions energy: -1529.849
where: short stacking energy: -624.177
Base-Backbone interact. energy: -2.351
local terms energy: -606.030685
where:
bonds (distance) C4'-P energy: -105.162
bonds (distance) P-C4' energy: -102.135
flat angles C4'-P-C4' energy: -138.984
flat angles P-C4'-P energy: -91.597
tors. eta vs tors. theta energy: -168.152
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2075.757795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.757795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.757795 (E_RNA)
where:
Base-Base interactions energy: -1451.775
where: short stacking energy: -592.334
Base-Backbone interact. energy: -0.688
local terms energy: -623.294641
where:
bonds (distance) C4'-P energy: -108.962
bonds (distance) P-C4' energy: -117.975
flat angles C4'-P-C4' energy: -132.531
flat angles P-C4'-P energy: -84.240
tors. eta vs tors. theta energy: -179.586
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1999.538905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.538905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.538905 (E_RNA)
where:
Base-Base interactions energy: -1400.675
where: short stacking energy: -585.357
Base-Backbone interact. energy: -2.661
local terms energy: -596.202587
where:
bonds (distance) C4'-P energy: -106.482
bonds (distance) P-C4' energy: -107.303
flat angles C4'-P-C4' energy: -123.967
flat angles P-C4'-P energy: -85.632
tors. eta vs tors. theta energy: -172.818
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: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1880.282299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.282299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.282299 (E_RNA)
where:
Base-Base interactions energy: -1305.090
where: short stacking energy: -524.233
Base-Backbone interact. energy: 4.123
local terms energy: -579.315187
where:
bonds (distance) C4'-P energy: -102.492
bonds (distance) P-C4' energy: -111.155
flat angles C4'-P-C4' energy: -134.698
flat angles P-C4'-P energy: -83.800
tors. eta vs tors. theta energy: -147.170
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: 11
Temperature: 1.100000
Total energy: -1798.227972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.227972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.227972 (E_RNA)
where:
Base-Base interactions energy: -1289.624
where: short stacking energy: -505.194
Base-Backbone interact. energy: 8.419
local terms energy: -517.022163
where:
bonds (distance) C4'-P energy: -98.311
bonds (distance) P-C4' energy: -86.282
flat angles C4'-P-C4' energy: -113.783
flat angles P-C4'-P energy: -70.179
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1667.875328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.875328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.875328 (E_RNA)
where:
Base-Base interactions energy: -1148.746
where: short stacking energy: -463.993
Base-Backbone interact. energy: 0.529
local terms energy: -519.658304
where:
bonds (distance) C4'-P energy: -94.130
bonds (distance) P-C4' energy: -114.744
flat angles C4'-P-C4' energy: -105.557
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -125.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1656.442250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.442250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.442250 (E_RNA)
where:
Base-Base interactions energy: -1173.844
where: short stacking energy: -463.914
Base-Backbone interact. energy: 0.443
local terms energy: -483.041403
where:
bonds (distance) C4'-P energy: -83.381
bonds (distance) P-C4' energy: -97.385
flat angles C4'-P-C4' energy: -109.773
flat angles P-C4'-P energy: -71.494
tors. eta vs tors. theta energy: -121.009
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1313.306270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.306270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.306270 (E_RNA)
where:
Base-Base interactions energy: -895.048
where: short stacking energy: -380.961
Base-Backbone interact. energy: 2.564
local terms energy: -420.822077
where:
bonds (distance) C4'-P energy: -87.545
bonds (distance) P-C4' energy: -90.564
flat angles C4'-P-C4' energy: -98.491
flat angles P-C4'-P energy: -64.935
tors. eta vs tors. theta energy: -79.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1330.677499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.677499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.677499 (E_RNA)
where:
Base-Base interactions energy: -893.037
where: short stacking energy: -371.857
Base-Backbone interact. energy: -1.863
local terms energy: -435.777678
where:
bonds (distance) C4'-P energy: -95.122
bonds (distance) P-C4' energy: -105.477
flat angles C4'-P-C4' energy: -97.571
flat angles P-C4'-P energy: -56.741
tors. eta vs tors. theta energy: -80.866
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -979.765203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.765203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.765203 (E_RNA)
where:
Base-Base interactions energy: -622.870
where: short stacking energy: -269.816
Base-Backbone interact. energy: -1.649
local terms energy: -355.245933
where:
bonds (distance) C4'-P energy: -88.433
bonds (distance) P-C4' energy: -93.679
flat angles C4'-P-C4' energy: -99.042
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -32.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -2120.171761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.171761 (E_RNA)
where:
Base-Base interactions energy: -1480.232
where: short stacking energy: -590.306
Base-Backbone interact. energy: -5.333
local terms energy: -634.606556
where:
bonds (distance) C4'-P energy: -117.344
bonds (distance) P-C4' energy: -129.900
flat angles C4'-P-C4' energy: -132.156
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -167.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2030.103956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.103956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.103956 (E_RNA)
where:
Base-Base interactions energy: -1413.210
where: short stacking energy: -563.190
Base-Backbone interact. energy: -3.918
local terms energy: -612.975311
where:
bonds (distance) C4'-P energy: -122.704
bonds (distance) P-C4' energy: -113.604
flat angles C4'-P-C4' energy: -132.182
flat angles P-C4'-P energy: -75.744
tors. eta vs tors. theta energy: -168.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1981.406381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.406381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.406381 (E_RNA)
where:
Base-Base interactions energy: -1404.838
where: short stacking energy: -544.738
Base-Backbone interact. energy: -3.220
local terms energy: -573.348543
where:
bonds (distance) C4'-P energy: -107.664
bonds (distance) P-C4' energy: -112.059
flat angles C4'-P-C4' energy: -122.269
flat angles P-C4'-P energy: -85.482
tors. eta vs tors. theta energy: -145.874
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: 12
Temperature: 1.050000
Total energy: -1853.056885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.056885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.056885 (E_RNA)
where:
Base-Base interactions energy: -1305.159
where: short stacking energy: -526.991
Base-Backbone interact. energy: -3.884
local terms energy: -544.014552
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -108.934
flat angles C4'-P-C4' energy: -114.061
flat angles P-C4'-P energy: -82.778
tors. eta vs tors. theta energy: -142.605
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: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1826.796111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.796111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.796111 (E_RNA)
where:
Base-Base interactions energy: -1294.653
where: short stacking energy: -514.987
Base-Backbone interact. energy: -0.744
local terms energy: -531.399503
where:
bonds (distance) C4'-P energy: -92.679
bonds (distance) P-C4' energy: -102.401
flat angles C4'-P-C4' energy: -121.738
flat angles P-C4'-P energy: -61.115
tors. eta vs tors. theta energy: -153.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1683.185954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.185954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.185954 (E_RNA)
where:
Base-Base interactions energy: -1177.701
where: short stacking energy: -481.587
Base-Backbone interact. energy: -2.266
local terms energy: -503.218591
where:
bonds (distance) C4'-P energy: -93.839
bonds (distance) P-C4' energy: -93.789
flat angles C4'-P-C4' energy: -111.542
flat angles P-C4'-P energy: -72.621
tors. eta vs tors. theta energy: -131.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1578.673389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.673389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.673389 (E_RNA)
where:
Base-Base interactions energy: -1112.524
where: short stacking energy: -440.091
Base-Backbone interact. energy: -0.426
local terms energy: -465.722824
where:
bonds (distance) C4'-P energy: -96.155
bonds (distance) P-C4' energy: -113.520
flat angles C4'-P-C4' energy: -97.189
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -99.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1320.330740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.330740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.330740 (E_RNA)
where:
Base-Base interactions energy: -883.446
where: short stacking energy: -376.326
Base-Backbone interact. energy: 2.578
local terms energy: -439.462668
where:
bonds (distance) C4'-P energy: -103.547
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -96.611
flat angles P-C4'-P energy: -53.747
tors. eta vs tors. theta energy: -87.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1294.679503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.679503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.679503 (E_RNA)
where:
Base-Base interactions energy: -862.417
where: short stacking energy: -376.753
Base-Backbone interact. energy: 0.482
local terms energy: -432.744668
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -113.108
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -62.982
tors. eta vs tors. theta energy: -90.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -896.824474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.824474 (E_RNA)
where:
Base-Base interactions energy: -552.565
where: short stacking energy: -244.269
Base-Backbone interact. energy: 2.326
local terms energy: -346.586353
where:
bonds (distance) C4'-P energy: -94.159
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -97.199
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -32.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -2125.016555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.016555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.016555 (E_RNA)
where:
Base-Base interactions energy: -1505.873
where: short stacking energy: -598.811
Base-Backbone interact. energy: -2.490
local terms energy: -616.653587
where:
bonds (distance) C4'-P energy: -124.058
bonds (distance) P-C4' energy: -97.148
flat angles C4'-P-C4' energy: -135.116
flat angles P-C4'-P energy: -91.762
tors. eta vs tors. theta energy: -168.569
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2063.226056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.226056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.226056 (E_RNA)
where:
Base-Base interactions energy: -1469.726
where: short stacking energy: -591.210
Base-Backbone interact. energy: -0.587
local terms energy: -592.913017
where:
bonds (distance) C4'-P energy: -107.083
bonds (distance) P-C4' energy: -108.605
flat angles C4'-P-C4' energy: -133.237
flat angles P-C4'-P energy: -82.764
tors. eta vs tors. theta energy: -161.224
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: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1963.978891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.978891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.978891 (E_RNA)
where:
Base-Base interactions energy: -1373.861
where: short stacking energy: -527.580
Base-Backbone interact. energy: -2.918
local terms energy: -587.199765
where:
bonds (distance) C4'-P energy: -110.341
bonds (distance) P-C4' energy: -108.840
flat angles C4'-P-C4' energy: -127.798
flat angles P-C4'-P energy: -89.946
tors. eta vs tors. theta energy: -150.275
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: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1848.892619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.892619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.892619 (E_RNA)
where:
Base-Base interactions energy: -1311.149
where: short stacking energy: -547.803
Base-Backbone interact. energy: 3.963
local terms energy: -541.706565
where:
bonds (distance) C4'-P energy: -97.232
bonds (distance) P-C4' energy: -117.679
flat angles C4'-P-C4' energy: -112.814
flat angles P-C4'-P energy: -69.108
tors. eta vs tors. theta energy: -144.875
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: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1812.160907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.160907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.160907 (E_RNA)
where:
Base-Base interactions energy: -1254.793
where: short stacking energy: -478.985
Base-Backbone interact. energy: -2.897
local terms energy: -554.471169
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -109.266
flat angles C4'-P-C4' energy: -116.774
flat angles P-C4'-P energy: -90.834
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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1608.082824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.082824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.082824 (E_RNA)
where:
Base-Base interactions energy: -1126.799
where: short stacking energy: -441.212
Base-Backbone interact. energy: -2.843
local terms energy: -478.440687
where:
bonds (distance) C4'-P energy: -97.253
bonds (distance) P-C4' energy: -93.890
flat angles C4'-P-C4' energy: -119.153
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -104.625
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: 13
Temperature: 1.200000
Total energy: -1530.220693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.220693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.220693 (E_RNA)
where:
Base-Base interactions energy: -1075.620
where: short stacking energy: -438.170
Base-Backbone interact. energy: 7.514
local terms energy: -462.114460
where:
bonds (distance) C4'-P energy: -93.164
bonds (distance) P-C4' energy: -87.737
flat angles C4'-P-C4' energy: -110.731
flat angles P-C4'-P energy: -57.212
tors. eta vs tors. theta energy: -113.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1312.875427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.875427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.875427 (E_RNA)
where:
Base-Base interactions energy: -858.213
where: short stacking energy: -354.273
Base-Backbone interact. energy: -4.124
local terms energy: -450.538052
where:
bonds (distance) C4'-P energy: -96.132
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -107.812
flat angles P-C4'-P energy: -67.292
tors. eta vs tors. theta energy: -84.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1131.923124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.923124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.923124 (E_RNA)
where:
Base-Base interactions energy: -757.966
where: short stacking energy: -325.751
Base-Backbone interact. energy: -0.524
local terms energy: -373.432477
where:
bonds (distance) C4'-P energy: -89.058
bonds (distance) P-C4' energy: -92.183
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -59.453
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -853.374613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.374613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.374613 (E_RNA)
where:
Base-Base interactions energy: -505.444
where: short stacking energy: -239.773
Base-Backbone interact. energy: -2.343
local terms energy: -345.587351
where:
bonds (distance) C4'-P energy: -105.278
bonds (distance) P-C4' energy: -94.185
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2106.114392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.114392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.114392 (E_RNA)
where:
Base-Base interactions energy: -1481.930
where: short stacking energy: -597.290
Base-Backbone interact. energy: 1.992
local terms energy: -626.175861
where:
bonds (distance) C4'-P energy: -109.891
bonds (distance) P-C4' energy: -122.108
flat angles C4'-P-C4' energy: -133.944
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -166.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2074.496940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.496940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.496940 (E_RNA)
where:
Base-Base interactions energy: -1452.573
where: short stacking energy: -578.043
Base-Backbone interact. energy: -0.740
local terms energy: -621.184329
where:
bonds (distance) C4'-P energy: -117.557
bonds (distance) P-C4' energy: -121.748
flat angles C4'-P-C4' energy: -123.400
flat angles P-C4'-P energy: -84.926
tors. eta vs tors. theta energy: -173.553
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: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1964.743998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.743998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.743998 (E_RNA)
where:
Base-Base interactions energy: -1368.880
where: short stacking energy: -557.628
Base-Backbone interact. energy: -1.319
local terms energy: -594.544884
where:
bonds (distance) C4'-P energy: -117.576
bonds (distance) P-C4' energy: -108.197
flat angles C4'-P-C4' energy: -124.764
flat angles P-C4'-P energy: -81.354
tors. eta vs tors. theta energy: -162.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1836.140550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.140550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.140550 (E_RNA)
where:
Base-Base interactions energy: -1279.171
where: short stacking energy: -518.022
Base-Backbone interact. energy: -0.863
local terms energy: -556.106443
where:
bonds (distance) C4'-P energy: -112.489
bonds (distance) P-C4' energy: -101.032
flat angles C4'-P-C4' energy: -118.386
flat angles P-C4'-P energy: -82.995
tors. eta vs tors. theta energy: -141.205
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1797.956078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.956078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.956078 (E_RNA)
where:
Base-Base interactions energy: -1297.425
where: short stacking energy: -514.093
Base-Backbone interact. energy: -2.845
local terms energy: -497.686041
where:
bonds (distance) C4'-P energy: -88.672
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -113.723
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: -131.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1621.393009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.393009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.393009 (E_RNA)
where:
Base-Base interactions energy: -1093.707
where: short stacking energy: -438.973
Base-Backbone interact. energy: -2.683
local terms energy: -525.002807
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -106.452
flat angles C4'-P-C4' energy: -122.442
flat angles P-C4'-P energy: -75.360
tors. eta vs tors. theta energy: -111.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1481.681948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.681948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.681948 (E_RNA)
where:
Base-Base interactions energy: -995.969
where: short stacking energy: -407.591
Base-Backbone interact. energy: -0.952
local terms energy: -484.760358
where:
bonds (distance) C4'-P energy: -103.576
bonds (distance) P-C4' energy: -100.886
flat angles C4'-P-C4' energy: -110.748
flat angles P-C4'-P energy: -65.261
tors. eta vs tors. theta energy: -104.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1316.666120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.666120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.666120 (E_RNA)
where:
Base-Base interactions energy: -878.911
where: short stacking energy: -382.742
Base-Backbone interact. energy: -1.345
local terms energy: -436.410475
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -111.246
flat angles P-C4'-P energy: -48.933
tors. eta vs tors. theta energy: -91.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1114.566767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.566767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.566767 (E_RNA)
where:
Base-Base interactions energy: -710.304
where: short stacking energy: -299.314
Base-Backbone interact. energy: -3.546
local terms energy: -400.716128
where:
bonds (distance) C4'-P energy: -102.648
bonds (distance) P-C4' energy: -85.777
flat angles C4'-P-C4' energy: -108.531
flat angles P-C4'-P energy: -63.330
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -794.785952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.785952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.785952 (E_RNA)
where:
Base-Base interactions energy: -416.120
where: short stacking energy: -199.373
Base-Backbone interact. energy: -0.735
local terms energy: -377.931050
where:
bonds (distance) C4'-P energy: -101.014
bonds (distance) P-C4' energy: -113.761
flat angles C4'-P-C4' energy: -94.376
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -2088.425640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.425640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.425640 (E_RNA)
where:
Base-Base interactions energy: -1455.739
where: short stacking energy: -599.470
Base-Backbone interact. energy: -1.778
local terms energy: -630.909078
where:
bonds (distance) C4'-P energy: -125.195
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -137.299
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -171.533
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2111.683431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.683431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.683431 (E_RNA)
where:
Base-Base interactions energy: -1464.710
where: short stacking energy: -596.299
Base-Backbone interact. energy: -2.185
local terms energy: -644.788826
where:
bonds (distance) C4'-P energy: -111.325
bonds (distance) P-C4' energy: -119.175
flat angles C4'-P-C4' energy: -144.194
flat angles P-C4'-P energy: -99.475
tors. eta vs tors. theta energy: -170.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1965.459445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.459445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.459445 (E_RNA)
where:
Base-Base interactions energy: -1355.453
where: short stacking energy: -552.730
Base-Backbone interact. energy: -0.758
local terms energy: -609.248975
where:
bonds (distance) C4'-P energy: -116.844
bonds (distance) P-C4' energy: -121.121
flat angles C4'-P-C4' energy: -117.906
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -160.984
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: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1835.509851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.509851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.509851 (E_RNA)
where:
Base-Base interactions energy: -1284.561
where: short stacking energy: -517.182
Base-Backbone interact. energy: -3.769
local terms energy: -547.179757
where:
bonds (distance) C4'-P energy: -116.220
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -83.359
tors. eta vs tors. theta energy: -129.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1800.074881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.074881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.074881 (E_RNA)
where:
Base-Base interactions energy: -1265.038
where: short stacking energy: -492.021
Base-Backbone interact. energy: -4.574
local terms energy: -530.463616
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -101.318
flat angles C4'-P-C4' energy: -111.492
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -141.502
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: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1606.044304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.044304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.044304 (E_RNA)
where:
Base-Base interactions energy: -1102.416
where: short stacking energy: -442.919
Base-Backbone interact. energy: -1.655
local terms energy: -501.973904
where:
bonds (distance) C4'-P energy: -98.089
bonds (distance) P-C4' energy: -99.643
flat angles C4'-P-C4' energy: -126.191
flat angles P-C4'-P energy: -62.930
tors. eta vs tors. theta energy: -115.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1449.811023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.811023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.811023 (E_RNA)
where:
Base-Base interactions energy: -980.476
where: short stacking energy: -403.805
Base-Backbone interact. energy: -1.741
local terms energy: -467.593818
where:
bonds (distance) C4'-P energy: -99.602
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -100.450
flat angles P-C4'-P energy: -68.091
tors. eta vs tors. theta energy: -100.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1317.961663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.961663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.961663 (E_RNA)
where:
Base-Base interactions energy: -868.906
where: short stacking energy: -369.953
Base-Backbone interact. energy: 0.255
local terms energy: -449.311306
where:
bonds (distance) C4'-P energy: -101.692
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -101.045
flat angles P-C4'-P energy: -71.161
tors. eta vs tors. theta energy: -63.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1173.257166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.257166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.257166 (E_RNA)
where:
Base-Base interactions energy: -766.314
where: short stacking energy: -339.406
Base-Backbone interact. energy: -0.289
local terms energy: -406.654148
where:
bonds (distance) C4'-P energy: -97.626
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -90.665
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -57.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -843.221482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.221482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.221482 (E_RNA)
where:
Base-Base interactions energy: -475.458
where: short stacking energy: -232.652
Base-Backbone interact. energy: 2.681
local terms energy: -370.444349
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -91.426
flat angles P-C4'-P energy: -49.761
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2076.020019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.020019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.020019 (E_RNA)
where:
Base-Base interactions energy: -1452.552
where: short stacking energy: -616.075
Base-Backbone interact. energy: -1.915
local terms energy: -621.553306
where:
bonds (distance) C4'-P energy: -115.133
bonds (distance) P-C4' energy: -127.296
flat angles C4'-P-C4' energy: -125.174
flat angles P-C4'-P energy: -94.602
tors. eta vs tors. theta energy: -159.349
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: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2043.891880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.891880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.891880 (E_RNA)
where:
Base-Base interactions energy: -1405.447
where: short stacking energy: -569.287
Base-Backbone interact. energy: -1.918
local terms energy: -636.526964
where:
bonds (distance) C4'-P energy: -126.442
bonds (distance) P-C4' energy: -112.881
flat angles C4'-P-C4' energy: -120.569
flat angles P-C4'-P energy: -102.252
tors. eta vs tors. theta energy: -174.382
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1949.660683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.660683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.660683 (E_RNA)
where:
Base-Base interactions energy: -1378.704
where: short stacking energy: -569.469
Base-Backbone interact. energy: -3.848
local terms energy: -567.109570
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -118.117
flat angles C4'-P-C4' energy: -119.937
flat angles P-C4'-P energy: -73.936
tors. eta vs tors. theta energy: -158.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1908.584032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.584032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.584032 (E_RNA)
where:
Base-Base interactions energy: -1324.143
where: short stacking energy: -545.871
Base-Backbone interact. energy: 1.752
local terms energy: -586.193533
where:
bonds (distance) C4'-P energy: -99.932
bonds (distance) P-C4' energy: -109.063
flat angles C4'-P-C4' energy: -131.308
flat angles P-C4'-P energy: -89.730
tors. eta vs tors. theta energy: -156.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1827.906013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.906013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.906013 (E_RNA)
where:
Base-Base interactions energy: -1316.489
where: short stacking energy: -514.568
Base-Backbone interact. energy: 3.631
local terms energy: -515.047922
where:
bonds (distance) C4'-P energy: -92.855
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -118.118
flat angles P-C4'-P energy: -65.055
tors. eta vs tors. theta energy: -140.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1661.342964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.342964 (E_RNA)
where:
Base-Base interactions energy: -1132.726
where: short stacking energy: -477.390
Base-Backbone interact. energy: -2.179
local terms energy: -526.437346
where:
bonds (distance) C4'-P energy: -100.200
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -118.436
flat angles P-C4'-P energy: -70.190
tors. eta vs tors. theta energy: -145.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1460.767066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.767066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.767066 (E_RNA)
where:
Base-Base interactions energy: -989.542
where: short stacking energy: -404.580
Base-Backbone interact. energy: -2.460
local terms energy: -468.765656
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -94.410
flat angles C4'-P-C4' energy: -105.135
flat angles P-C4'-P energy: -58.423
tors. eta vs tors. theta energy: -111.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1257.836190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.836190 (E_RNA)
where:
Base-Base interactions energy: -860.620
where: short stacking energy: -366.045
Base-Backbone interact. energy: -0.640
local terms energy: -396.576075
where:
bonds (distance) C4'-P energy: -84.830
bonds (distance) P-C4' energy: -95.725
flat angles C4'-P-C4' energy: -87.644
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: -62.078
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: 16
Temperature: 1.300000
Total energy: -1062.207907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.207907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.207907 (E_RNA)
where:
Base-Base interactions energy: -674.209
where: short stacking energy: -297.646
Base-Backbone interact. energy: 3.021
local terms energy: -391.019319
where:
bonds (distance) C4'-P energy: -81.287
bonds (distance) P-C4' energy: -97.784
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -62.456
tors. eta vs tors. theta energy: -65.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -848.186525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.186525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.186525 (E_RNA)
where:
Base-Base interactions energy: -517.643
where: short stacking energy: -266.789
Base-Backbone interact. energy: 0.374
local terms energy: -330.918406
where:
bonds (distance) C4'-P energy: -81.699
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -90.938
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -27.976
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: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2110.382299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.382299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.382299 (E_RNA)
where:
Base-Base interactions energy: -1489.589
where: short stacking energy: -594.185
Base-Backbone interact. energy: -0.006
local terms energy: -620.787653
where:
bonds (distance) C4'-P energy: -116.534
bonds (distance) P-C4' energy: -116.727
flat angles C4'-P-C4' energy: -126.671
flat angles P-C4'-P energy: -93.461
tors. eta vs tors. theta energy: -167.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2059.299290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.299290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.299290 (E_RNA)
where:
Base-Base interactions energy: -1459.680
where: short stacking energy: -578.530
Base-Backbone interact. energy: 3.368
local terms energy: -602.987027
where:
bonds (distance) C4'-P energy: -112.788
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -125.980
flat angles P-C4'-P energy: -77.875
tors. eta vs tors. theta energy: -169.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1977.506806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.506806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.506806 (E_RNA)
where:
Base-Base interactions energy: -1383.069
where: short stacking energy: -542.361
Base-Backbone interact. energy: -2.398
local terms energy: -592.040198
where:
bonds (distance) C4'-P energy: -104.322
bonds (distance) P-C4' energy: -119.843
flat angles C4'-P-C4' energy: -125.530
flat angles P-C4'-P energy: -86.596
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: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1869.393008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.393008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.393008 (E_RNA)
where:
Base-Base interactions energy: -1322.099
where: short stacking energy: -536.329
Base-Backbone interact. energy: 0.367
local terms energy: -547.660531
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -113.397
flat angles C4'-P-C4' energy: -97.587
flat angles P-C4'-P energy: -79.642
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: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1827.663633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.663633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.663633 (E_RNA)
where:
Base-Base interactions energy: -1322.613
where: short stacking energy: -507.825
Base-Backbone interact. energy: 0.592
local terms energy: -505.642969
where:
bonds (distance) C4'-P energy: -77.117
bonds (distance) P-C4' energy: -106.330
flat angles C4'-P-C4' energy: -112.660
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -135.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1746.831031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.831031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.831031 (E_RNA)
where:
Base-Base interactions energy: -1229.687
where: short stacking energy: -484.254
Base-Backbone interact. energy: -0.851
local terms energy: -516.293425
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -103.697
flat angles C4'-P-C4' energy: -106.053
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -152.519
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: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1430.657693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.657693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.657693 (E_RNA)
where:
Base-Base interactions energy: -985.495
where: short stacking energy: -408.228
Base-Backbone interact. energy: 0.100
local terms energy: -445.263080
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -97.562
flat angles C4'-P-C4' energy: -100.110
flat angles P-C4'-P energy: -63.069
tors. eta vs tors. theta energy: -89.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1260.202817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.202817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.202817 (E_RNA)
where:
Base-Base interactions energy: -831.798
where: short stacking energy: -352.048
Base-Backbone interact. energy: 2.591
local terms energy: -430.995504
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -112.267
flat angles P-C4'-P energy: -64.825
tors. eta vs tors. theta energy: -67.487
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1130.890369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.890369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.890369 (E_RNA)
where:
Base-Base interactions energy: -730.131
where: short stacking energy: -319.140
Base-Backbone interact. energy: -2.027
local terms energy: -398.732485
where:
bonds (distance) C4'-P energy: -86.755
bonds (distance) P-C4' energy: -109.171
flat angles C4'-P-C4' energy: -89.459
flat angles P-C4'-P energy: -59.261
tors. eta vs tors. theta energy: -54.087
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -828.950172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.950172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.950172 (E_RNA)
where:
Base-Base interactions energy: -503.275
where: short stacking energy: -222.786
Base-Backbone interact. energy: 0.169
local terms energy: -325.844797
where:
bonds (distance) C4'-P energy: -94.984
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2101.262697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.262697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.262697 (E_RNA)
where:
Base-Base interactions energy: -1470.708
where: short stacking energy: -586.850
Base-Backbone interact. energy: -4.389
local terms energy: -626.165893
where:
bonds (distance) C4'-P energy: -119.616
bonds (distance) P-C4' energy: -121.412
flat angles C4'-P-C4' energy: -130.655
flat angles P-C4'-P energy: -82.185
tors. eta vs tors. theta energy: -172.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2048.940697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.940697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.940697 (E_RNA)
where:
Base-Base interactions energy: -1457.927
where: short stacking energy: -578.881
Base-Backbone interact. energy: -2.859
local terms energy: -588.154560
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -111.431
flat angles C4'-P-C4' energy: -132.929
flat angles P-C4'-P energy: -80.550
tors. eta vs tors. theta energy: -167.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1936.003943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.003943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.003943 (E_RNA)
where:
Base-Base interactions energy: -1351.341
where: short stacking energy: -566.346
Base-Backbone interact. energy: -0.763
local terms energy: -583.899221
where:
bonds (distance) C4'-P energy: -108.172
bonds (distance) P-C4' energy: -105.986
flat angles C4'-P-C4' energy: -129.648
flat angles P-C4'-P energy: -79.940
tors. eta vs tors. theta energy: -160.154
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1870.764805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.764805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.764805 (E_RNA)
where:
Base-Base interactions energy: -1299.240
where: short stacking energy: -507.323
Base-Backbone interact. energy: -0.990
local terms energy: -570.534120
where:
bonds (distance) C4'-P energy: -105.285
bonds (distance) P-C4' energy: -118.857
flat angles C4'-P-C4' energy: -117.814
flat angles P-C4'-P energy: -77.210
tors. eta vs tors. theta energy: -151.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1846.229191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.229191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.229191 (E_RNA)
where:
Base-Base interactions energy: -1308.810
where: short stacking energy: -515.287
Base-Backbone interact. energy: 1.345
local terms energy: -538.764116
where:
bonds (distance) C4'-P energy: -95.036
bonds (distance) P-C4' energy: -93.914
flat angles C4'-P-C4' energy: -120.794
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -156.147
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1705.181600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.181600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.181600 (E_RNA)
where:
Base-Base interactions energy: -1171.007
where: short stacking energy: -475.919
Base-Backbone interact. energy: -2.420
local terms energy: -531.754472
where:
bonds (distance) C4'-P energy: -98.436
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -124.100
flat angles P-C4'-P energy: -71.691
tors. eta vs tors. theta energy: -133.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1431.347260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.347260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.347260 (E_RNA)
where:
Base-Base interactions energy: -947.310
where: short stacking energy: -409.291
Base-Backbone interact. energy: 0.145
local terms energy: -484.181823
where:
bonds (distance) C4'-P energy: -101.603
bonds (distance) P-C4' energy: -93.936
flat angles C4'-P-C4' energy: -118.697
flat angles P-C4'-P energy: -69.808
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1297.275186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.275186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.275186 (E_RNA)
where:
Base-Base interactions energy: -862.859
where: short stacking energy: -376.183
Base-Backbone interact. energy: -2.045
local terms energy: -432.371578
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -93.845
flat angles C4'-P-C4' energy: -104.473
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -79.843
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: 18
Temperature: 1.300000
Total energy: -1115.668760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.668760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.668760 (E_RNA)
where:
Base-Base interactions energy: -715.118
where: short stacking energy: -311.320
Base-Backbone interact. energy: -2.276
local terms energy: -398.275135
where:
bonds (distance) C4'-P energy: -89.310
bonds (distance) P-C4' energy: -95.146
flat angles C4'-P-C4' energy: -106.411
flat angles P-C4'-P energy: -58.922
tors. eta vs tors. theta energy: -48.486
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -810.469063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.469063 (E_RNA)
where:
Base-Base interactions energy: -467.954
where: short stacking energy: -202.898
Base-Backbone interact. energy: -1.808
local terms energy: -340.706756
where:
bonds (distance) C4'-P energy: -91.040
bonds (distance) P-C4' energy: -81.361
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -59.368
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2096.131475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.131475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.131475 (E_RNA)
where:
Base-Base interactions energy: -1470.503
where: short stacking energy: -591.195
Base-Backbone interact. energy: -0.276
local terms energy: -625.353386
where:
bonds (distance) C4'-P energy: -111.753
bonds (distance) P-C4' energy: -113.540
flat angles C4'-P-C4' energy: -128.530
flat angles P-C4'-P energy: -96.316
tors. eta vs tors. theta energy: -175.214
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2059.304194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.304194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.304194 (E_RNA)
where:
Base-Base interactions energy: -1468.613
where: short stacking energy: -587.068
Base-Backbone interact. energy: 0.520
local terms energy: -591.211567
where:
bonds (distance) C4'-P energy: -105.173
bonds (distance) P-C4' energy: -110.668
flat angles C4'-P-C4' energy: -125.290
flat angles P-C4'-P energy: -79.319
tors. eta vs tors. theta energy: -170.762
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1978.536733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.536733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.536733 (E_RNA)
where:
Base-Base interactions energy: -1401.450
where: short stacking energy: -553.761
Base-Backbone interact. energy: 0.434
local terms energy: -577.520813
where:
bonds (distance) C4'-P energy: -112.072
bonds (distance) P-C4' energy: -104.077
flat angles C4'-P-C4' energy: -135.424
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -152.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1845.661022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.661022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.661022 (E_RNA)
where:
Base-Base interactions energy: -1303.092
where: short stacking energy: -517.713
Base-Backbone interact. energy: -0.577
local terms energy: -541.992042
where:
bonds (distance) C4'-P energy: -102.512
bonds (distance) P-C4' energy: -105.555
flat angles C4'-P-C4' energy: -114.279
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -148.996
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: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1782.420844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.420844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.420844 (E_RNA)
where:
Base-Base interactions energy: -1257.202
where: short stacking energy: -484.008
Base-Backbone interact. energy: 6.637
local terms energy: -531.856496
where:
bonds (distance) C4'-P energy: -95.619
bonds (distance) P-C4' energy: -95.875
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -83.054
tors. eta vs tors. theta energy: -141.201
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: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1681.469763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.469763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.469763 (E_RNA)
where:
Base-Base interactions energy: -1192.187
where: short stacking energy: -473.729
Base-Backbone interact. energy: 0.433
local terms energy: -489.715839
where:
bonds (distance) C4'-P energy: -91.617
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -104.074
flat angles P-C4'-P energy: -71.871
tors. eta vs tors. theta energy: -121.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1362.029040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.029040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.029040 (E_RNA)
where:
Base-Base interactions energy: -900.603
where: short stacking energy: -406.228
Base-Backbone interact. energy: -1.970
local terms energy: -459.456281
where:
bonds (distance) C4'-P energy: -82.747
bonds (distance) P-C4' energy: -97.999
flat angles C4'-P-C4' energy: -116.040
flat angles P-C4'-P energy: -73.728
tors. eta vs tors. theta energy: -88.942
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1313.100327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.100327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.100327 (E_RNA)
where:
Base-Base interactions energy: -869.565
where: short stacking energy: -387.008
Base-Backbone interact. energy: 3.133
local terms energy: -446.668180
where:
bonds (distance) C4'-P energy: -105.495
bonds (distance) P-C4' energy: -81.033
flat angles C4'-P-C4' energy: -111.859
flat angles P-C4'-P energy: -60.043
tors. eta vs tors. theta energy: -88.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1033.139799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.139799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.139799 (E_RNA)
where:
Base-Base interactions energy: -655.045
where: short stacking energy: -294.169
Base-Backbone interact. energy: -3.476
local terms energy: -374.618995
where:
bonds (distance) C4'-P energy: -108.182
bonds (distance) P-C4' energy: -86.176
flat angles C4'-P-C4' energy: -93.446
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -44.791
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: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -805.512908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.512908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.512908 (E_RNA)
where:
Base-Base interactions energy: -461.469
where: short stacking energy: -217.351
Base-Backbone interact. energy: 3.082
local terms energy: -347.126103
where:
bonds (distance) C4'-P energy: -96.164
bonds (distance) P-C4' energy: -82.687
flat angles C4'-P-C4' energy: -93.832
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: -13.970
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: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2105.190276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.190276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.190276 (E_RNA)
where:
Base-Base interactions energy: -1465.016
where: short stacking energy: -592.753
Base-Backbone interact. energy: -1.599
local terms energy: -638.575171
where:
bonds (distance) C4'-P energy: -121.931
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -142.914
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -181.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2045.261923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.261923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.261923 (E_RNA)
where:
Base-Base interactions energy: -1458.472
where: short stacking energy: -579.622
Base-Backbone interact. energy: -2.444
local terms energy: -584.345587
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -101.921
flat angles C4'-P-C4' energy: -121.372
flat angles P-C4'-P energy: -89.132
tors. eta vs tors. theta energy: -166.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1984.127958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.127958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.127958 (E_RNA)
where:
Base-Base interactions energy: -1408.060
where: short stacking energy: -560.889
Base-Backbone interact. energy: -2.676
local terms energy: -573.392331
where:
bonds (distance) C4'-P energy: -108.988
bonds (distance) P-C4' energy: -101.891
flat angles C4'-P-C4' energy: -128.543
flat angles P-C4'-P energy: -79.262
tors. eta vs tors. theta energy: -154.708
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1842.040981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.040981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.040981 (E_RNA)
where:
Base-Base interactions energy: -1288.642
where: short stacking energy: -504.080
Base-Backbone interact. energy: -4.249
local terms energy: -549.150542
where:
bonds (distance) C4'-P energy: -99.285
bonds (distance) P-C4' energy: -121.187
flat angles C4'-P-C4' energy: -118.910
flat angles P-C4'-P energy: -65.493
tors. eta vs tors. theta energy: -144.277
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: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1734.395351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.395351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.395351 (E_RNA)
where:
Base-Base interactions energy: -1190.258
where: short stacking energy: -502.520
Base-Backbone interact. energy: 0.438
local terms energy: -544.575687
where:
bonds (distance) C4'-P energy: -116.907
bonds (distance) P-C4' energy: -98.379
flat angles C4'-P-C4' energy: -130.229
flat angles P-C4'-P energy: -65.720
tors. eta vs tors. theta energy: -133.340
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: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1745.948094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.948094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.948094 (E_RNA)
where:
Base-Base interactions energy: -1206.825
where: short stacking energy: -482.210
Base-Backbone interact. energy: -2.072
local terms energy: -537.051618
where:
bonds (distance) C4'-P energy: -100.730
bonds (distance) P-C4' energy: -101.567
flat angles C4'-P-C4' energy: -116.626
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -137.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1384.237573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.237573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.237573 (E_RNA)
where:
Base-Base interactions energy: -922.663
where: short stacking energy: -381.827
Base-Backbone interact. energy: 4.887
local terms energy: -466.460687
where:
bonds (distance) C4'-P energy: -108.001
bonds (distance) P-C4' energy: -108.122
flat angles C4'-P-C4' energy: -100.713
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -85.964
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1351.199816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.199816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.199816 (E_RNA)
where:
Base-Base interactions energy: -895.716
where: short stacking energy: -401.784
Base-Backbone interact. energy: -3.024
local terms energy: -452.459708
where:
bonds (distance) C4'-P energy: -78.522
bonds (distance) P-C4' energy: -87.919
flat angles C4'-P-C4' energy: -119.758
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -95.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1019.568172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.568172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.568172 (E_RNA)
where:
Base-Base interactions energy: -622.086
where: short stacking energy: -271.227
Base-Backbone interact. energy: -1.467
local terms energy: -396.014588
where:
bonds (distance) C4'-P energy: -104.934
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -102.471
flat angles P-C4'-P energy: -59.173
tors. eta vs tors. theta energy: -45.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -783.287549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.287549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.287549 (E_RNA)
where:
Base-Base interactions energy: -480.041
where: short stacking energy: -222.551
Base-Backbone interact. energy: 4.250
local terms energy: -307.496355
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -92.536
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -54.534
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2088.666903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.666903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.666903 (E_RNA)
where:
Base-Base interactions energy: -1462.742
where: short stacking energy: -584.926
Base-Backbone interact. energy: -1.027
local terms energy: -624.897455
where:
bonds (distance) C4'-P energy: -112.234
bonds (distance) P-C4' energy: -114.256
flat angles C4'-P-C4' energy: -136.572
flat angles P-C4'-P energy: -89.125
tors. eta vs tors. theta energy: -172.710
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: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2079.368477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.368477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.368477 (E_RNA)
where:
Base-Base interactions energy: -1453.648
where: short stacking energy: -599.889
Base-Backbone interact. energy: -2.222
local terms energy: -623.498687
where:
bonds (distance) C4'-P energy: -125.146
bonds (distance) P-C4' energy: -114.580
flat angles C4'-P-C4' energy: -126.457
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -168.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1972.396837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.396837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.396837 (E_RNA)
where:
Base-Base interactions energy: -1388.408
where: short stacking energy: -587.889
Base-Backbone interact. energy: -3.801
local terms energy: -580.187832
where:
bonds (distance) C4'-P energy: -100.742
bonds (distance) P-C4' energy: -113.942
flat angles C4'-P-C4' energy: -129.785
flat angles P-C4'-P energy: -77.224
tors. eta vs tors. theta energy: -158.495
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: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1866.053599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.053599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.053599 (E_RNA)
where:
Base-Base interactions energy: -1289.549
where: short stacking energy: -545.572
Base-Backbone interact. energy: -5.147
local terms energy: -571.357189
where:
bonds (distance) C4'-P energy: -106.866
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -128.503
flat angles P-C4'-P energy: -73.596
tors. eta vs tors. theta energy: -154.969
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: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1728.704976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.704976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.704976 (E_RNA)
where:
Base-Base interactions energy: -1192.137
where: short stacking energy: -465.395
Base-Backbone interact. energy: 0.852
local terms energy: -537.420390
where:
bonds (distance) C4'-P energy: -108.055
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -120.754
flat angles P-C4'-P energy: -69.596
tors. eta vs tors. theta energy: -144.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1699.698489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.698489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.698489 (E_RNA)
where:
Base-Base interactions energy: -1183.779
where: short stacking energy: -459.599
Base-Backbone interact. energy: 3.916
local terms energy: -519.835619
where:
bonds (distance) C4'-P energy: -84.380
bonds (distance) P-C4' energy: -104.817
flat angles C4'-P-C4' energy: -118.113
flat angles P-C4'-P energy: -77.260
tors. eta vs tors. theta energy: -135.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1404.960911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.960911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.960911 (E_RNA)
where:
Base-Base interactions energy: -922.086
where: short stacking energy: -375.001
Base-Backbone interact. energy: -3.173
local terms energy: -479.701499
where:
bonds (distance) C4'-P energy: -105.473
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -101.668
flat angles P-C4'-P energy: -81.103
tors. eta vs tors. theta energy: -86.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1325.653816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.653816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.653816 (E_RNA)
where:
Base-Base interactions energy: -857.846
where: short stacking energy: -370.235
Base-Backbone interact. energy: -2.997
local terms energy: -464.811249
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -122.579
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -57.745
tors. eta vs tors. theta energy: -80.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -947.467070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.467070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.467070 (E_RNA)
where:
Base-Base interactions energy: -584.097
where: short stacking energy: -283.405
Base-Backbone interact. energy: 5.913
local terms energy: -369.282631
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -87.133
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -51.575
tors. eta vs tors. theta energy: -53.998
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: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -854.491844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.491844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.491844 (E_RNA)
where:
Base-Base interactions energy: -511.995
where: short stacking energy: -242.637
Base-Backbone interact. energy: 3.476
local terms energy: -345.972936
where:
bonds (distance) C4'-P energy: -93.878
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -89.803
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -26.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2107.071739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.071739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.071739 (E_RNA)
where:
Base-Base interactions energy: -1465.949
where: short stacking energy: -588.801
Base-Backbone interact. energy: -5.676
local terms energy: -635.447585
where:
bonds (distance) C4'-P energy: -118.992
bonds (distance) P-C4' energy: -115.056
flat angles C4'-P-C4' energy: -128.926
flat angles P-C4'-P energy: -95.209
tors. eta vs tors. theta energy: -177.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2040.120460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.120460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.120460 (E_RNA)
where:
Base-Base interactions energy: -1438.174
where: short stacking energy: -581.077
Base-Backbone interact. energy: -1.851
local terms energy: -600.096221
where:
bonds (distance) C4'-P energy: -105.137
bonds (distance) P-C4' energy: -121.552
flat angles C4'-P-C4' energy: -125.227
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -170.560
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: 22
Temperature: 1.000000
Total energy: -1954.293031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.293031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.293031 (E_RNA)
where:
Base-Base interactions energy: -1382.918
where: short stacking energy: -549.085
Base-Backbone interact. energy: 0.890
local terms energy: -572.264739
where:
bonds (distance) C4'-P energy: -94.134
bonds (distance) P-C4' energy: -108.790
flat angles C4'-P-C4' energy: -124.237
flat angles P-C4'-P energy: -81.578
tors. eta vs tors. theta energy: -163.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1873.844209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.844209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.844209 (E_RNA)
where:
Base-Base interactions energy: -1315.427
where: short stacking energy: -546.193
Base-Backbone interact. energy: 4.858
local terms energy: -563.275329
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -96.327
flat angles C4'-P-C4' energy: -112.098
flat angles P-C4'-P energy: -78.164
tors. eta vs tors. theta energy: -160.914
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: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1736.651762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.651762 (E_RNA)
where:
Base-Base interactions energy: -1218.502
where: short stacking energy: -483.658
Base-Backbone interact. energy: 0.019
local terms energy: -518.168848
where:
bonds (distance) C4'-P energy: -111.897
bonds (distance) P-C4' energy: -88.377
flat angles C4'-P-C4' energy: -105.373
flat angles P-C4'-P energy: -83.117
tors. eta vs tors. theta energy: -129.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1746.242012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.242012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.242012 (E_RNA)
where:
Base-Base interactions energy: -1192.474
where: short stacking energy: -502.902
Base-Backbone interact. energy: 7.195
local terms energy: -560.963228
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -116.638
flat angles C4'-P-C4' energy: -117.900
flat angles P-C4'-P energy: -76.448
tors. eta vs tors. theta energy: -139.724
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: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1425.830686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.830686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.830686 (E_RNA)
where:
Base-Base interactions energy: -964.737
where: short stacking energy: -394.779
Base-Backbone interact. energy: 1.183
local terms energy: -462.277025
where:
bonds (distance) C4'-P energy: -91.667
bonds (distance) P-C4' energy: -96.683
flat angles C4'-P-C4' energy: -113.452
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -105.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1291.053954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.053954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.053954 (E_RNA)
where:
Base-Base interactions energy: -862.601
where: short stacking energy: -378.992
Base-Backbone interact. energy: 2.761
local terms energy: -431.214080
where:
bonds (distance) C4'-P energy: -81.478
bonds (distance) P-C4' energy: -102.286
flat angles C4'-P-C4' energy: -101.990
flat angles P-C4'-P energy: -77.853
tors. eta vs tors. theta energy: -67.606
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -977.888449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.888449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.888449 (E_RNA)
where:
Base-Base interactions energy: -597.656
where: short stacking energy: -272.996
Base-Backbone interact. energy: -0.700
local terms energy: -379.532841
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -89.958
flat angles C4'-P-C4' energy: -80.238
flat angles P-C4'-P energy: -60.766
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -835.035704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.035704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.035704 (E_RNA)
where:
Base-Base interactions energy: -489.827
where: short stacking energy: -242.339
Base-Backbone interact. energy: -2.117
local terms energy: -343.092261
where:
bonds (distance) C4'-P energy: -87.318
bonds (distance) P-C4' energy: -88.329
flat angles C4'-P-C4' energy: -100.104
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2128.725604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.725604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.725604 (E_RNA)
where:
Base-Base interactions energy: -1505.844
where: short stacking energy: -622.087
Base-Backbone interact. energy: -5.872
local terms energy: -617.009164
where:
bonds (distance) C4'-P energy: -107.731
bonds (distance) P-C4' energy: -117.744
flat angles C4'-P-C4' energy: -132.021
flat angles P-C4'-P energy: -85.381
tors. eta vs tors. theta energy: -174.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2029.694210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.694210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.694210 (E_RNA)
where:
Base-Base interactions energy: -1418.877
where: short stacking energy: -575.811
Base-Backbone interact. energy: -2.381
local terms energy: -608.435772
where:
bonds (distance) C4'-P energy: -121.946
bonds (distance) P-C4' energy: -102.102
flat angles C4'-P-C4' energy: -116.678
flat angles P-C4'-P energy: -99.611
tors. eta vs tors. theta energy: -168.099
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1947.531636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.531636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.531636 (E_RNA)
where:
Base-Base interactions energy: -1349.794
where: short stacking energy: -542.540
Base-Backbone interact. energy: -4.797
local terms energy: -592.940192
where:
bonds (distance) C4'-P energy: -121.681
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -128.398
flat angles P-C4'-P energy: -73.895
tors. eta vs tors. theta energy: -149.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1837.846069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.846069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.846069 (E_RNA)
where:
Base-Base interactions energy: -1287.919
where: short stacking energy: -527.663
Base-Backbone interact. energy: -0.136
local terms energy: -549.791234
where:
bonds (distance) C4'-P energy: -100.838
bonds (distance) P-C4' energy: -103.494
flat angles C4'-P-C4' energy: -120.543
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -140.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1753.827632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.827632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.827632 (E_RNA)
where:
Base-Base interactions energy: -1246.775
where: short stacking energy: -502.134
Base-Backbone interact. energy: 0.005
local terms energy: -507.058059
where:
bonds (distance) C4'-P energy: -91.101
bonds (distance) P-C4' energy: -86.631
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -78.150
tors. eta vs tors. theta energy: -132.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1651.400316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.400316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.400316 (E_RNA)
where:
Base-Base interactions energy: -1136.512
where: short stacking energy: -468.234
Base-Backbone interact. energy: -1.139
local terms energy: -513.749800
where:
bonds (distance) C4'-P energy: -103.459
bonds (distance) P-C4' energy: -104.052
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -58.050
tors. eta vs tors. theta energy: -138.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1426.723184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.723184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.723184 (E_RNA)
where:
Base-Base interactions energy: -956.396
where: short stacking energy: -405.096
Base-Backbone interact. energy: -1.298
local terms energy: -469.029185
where:
bonds (distance) C4'-P energy: -88.337
bonds (distance) P-C4' energy: -107.392
flat angles C4'-P-C4' energy: -108.853
flat angles P-C4'-P energy: -69.411
tors. eta vs tors. theta energy: -95.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1303.973616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.973616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.973616 (E_RNA)
where:
Base-Base interactions energy: -883.208
where: short stacking energy: -375.852
Base-Backbone interact. energy: 3.796
local terms energy: -424.561431
where:
bonds (distance) C4'-P energy: -78.670
bonds (distance) P-C4' energy: -104.457
flat angles C4'-P-C4' energy: -110.864
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -75.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1012.304588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.304588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.304588 (E_RNA)
where:
Base-Base interactions energy: -629.045
where: short stacking energy: -291.419
Base-Backbone interact. energy: 1.364
local terms energy: -384.624081
where:
bonds (distance) C4'-P energy: -93.329
bonds (distance) P-C4' energy: -87.447
flat angles C4'-P-C4' energy: -90.908
flat angles P-C4'-P energy: -57.937
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -804.905982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.905982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.905982 (E_RNA)
where:
Base-Base interactions energy: -461.014
where: short stacking energy: -221.508
Base-Backbone interact. energy: -1.373
local terms energy: -342.518967
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -93.179
flat angles C4'-P-C4' energy: -92.331
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -16.802
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: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2105.885037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.885037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.885037 (E_RNA)
where:
Base-Base interactions energy: -1465.354
where: short stacking energy: -590.943
Base-Backbone interact. energy: -0.343
local terms energy: -640.187541
where:
bonds (distance) C4'-P energy: -119.721
bonds (distance) P-C4' energy: -122.076
flat angles C4'-P-C4' energy: -123.522
flat angles P-C4'-P energy: -99.530
tors. eta vs tors. theta energy: -175.338
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2042.203417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.203417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.203417 (E_RNA)
where:
Base-Base interactions energy: -1437.382
where: short stacking energy: -584.210
Base-Backbone interact. energy: -2.535
local terms energy: -602.285647
where:
bonds (distance) C4'-P energy: -111.004
bonds (distance) P-C4' energy: -110.014
flat angles C4'-P-C4' energy: -127.991
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -173.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1978.671837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.671837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.671837 (E_RNA)
where:
Base-Base interactions energy: -1390.934
where: short stacking energy: -572.328
Base-Backbone interact. energy: 0.024
local terms energy: -587.761588
where:
bonds (distance) C4'-P energy: -113.060
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -127.689
flat angles P-C4'-P energy: -80.881
tors. eta vs tors. theta energy: -163.120
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: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1823.416550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.416550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.416550 (E_RNA)
where:
Base-Base interactions energy: -1268.266
where: short stacking energy: -515.250
Base-Backbone interact. energy: 1.951
local terms energy: -557.101775
where:
bonds (distance) C4'-P energy: -100.576
bonds (distance) P-C4' energy: -116.000
flat angles C4'-P-C4' energy: -121.321
flat angles P-C4'-P energy: -73.600
tors. eta vs tors. theta energy: -145.605
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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1812.322431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.322431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.322431 (E_RNA)
where:
Base-Base interactions energy: -1270.016
where: short stacking energy: -503.584
Base-Backbone interact. energy: -1.279
local terms energy: -541.026835
where:
bonds (distance) C4'-P energy: -107.811
bonds (distance) P-C4' energy: -107.713
flat angles C4'-P-C4' energy: -114.407
flat angles P-C4'-P energy: -72.125
tors. eta vs tors. theta energy: -138.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1688.054811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.054811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.054811 (E_RNA)
where:
Base-Base interactions energy: -1157.086
where: short stacking energy: -455.598
Base-Backbone interact. energy: -0.271
local terms energy: -530.697865
where:
bonds (distance) C4'-P energy: -93.044
bonds (distance) P-C4' energy: -118.015
flat angles C4'-P-C4' energy: -115.859
flat angles P-C4'-P energy: -68.261
tors. eta vs tors. theta energy: -135.519
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: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1422.978213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.978213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.978213 (E_RNA)
where:
Base-Base interactions energy: -963.372
where: short stacking energy: -418.766
Base-Backbone interact. energy: -2.338
local terms energy: -457.268249
where:
bonds (distance) C4'-P energy: -107.290
bonds (distance) P-C4' energy: -82.019
flat angles C4'-P-C4' energy: -114.556
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -96.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1287.004704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.004704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.004704 (E_RNA)
where:
Base-Base interactions energy: -841.967
where: short stacking energy: -367.950
Base-Backbone interact. energy: -1.680
local terms energy: -443.357711
where:
bonds (distance) C4'-P energy: -91.685
bonds (distance) P-C4' energy: -103.931
flat angles C4'-P-C4' energy: -108.912
flat angles P-C4'-P energy: -63.337
tors. eta vs tors. theta energy: -75.493
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: 24
Temperature: 1.300000
Total energy: -1024.358030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.358030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.358030 (E_RNA)
where:
Base-Base interactions energy: -646.403
where: short stacking energy: -277.640
Base-Backbone interact. energy: 0.386
local terms energy: -378.341590
where:
bonds (distance) C4'-P energy: -87.372
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -95.320
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -856.810646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.810646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.810646 (E_RNA)
where:
Base-Base interactions energy: -532.681
where: short stacking energy: -262.827
Base-Backbone interact. energy: 2.028
local terms energy: -326.157543
where:
bonds (distance) C4'-P energy: -90.117
bonds (distance) P-C4' energy: -80.768
flat angles C4'-P-C4' energy: -76.837
flat angles P-C4'-P energy: -48.016
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2093.922743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.922743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.922743 (E_RNA)
where:
Base-Base interactions energy: -1481.140
where: short stacking energy: -598.796
Base-Backbone interact. energy: -3.003
local terms energy: -609.779824
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -115.442
flat angles C4'-P-C4' energy: -131.091
flat angles P-C4'-P energy: -77.048
tors. eta vs tors. theta energy: -175.397
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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2030.888376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.888376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.888376 (E_RNA)
where:
Base-Base interactions energy: -1424.407
where: short stacking energy: -577.262
Base-Backbone interact. energy: -2.905
local terms energy: -603.576388
where:
bonds (distance) C4'-P energy: -115.149
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -133.222
flat angles P-C4'-P energy: -78.338
tors. eta vs tors. theta energy: -177.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1971.553717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.553717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.553717 (E_RNA)
where:
Base-Base interactions energy: -1376.139
where: short stacking energy: -542.182
Base-Backbone interact. energy: -0.302
local terms energy: -595.113082
where:
bonds (distance) C4'-P energy: -106.926
bonds (distance) P-C4' energy: -120.475
flat angles C4'-P-C4' energy: -121.547
flat angles P-C4'-P energy: -95.604
tors. eta vs tors. theta energy: -150.561
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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1829.639545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.639545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.639545 (E_RNA)
where:
Base-Base interactions energy: -1278.432
where: short stacking energy: -522.500
Base-Backbone interact. energy: -2.781
local terms energy: -548.427289
where:
bonds (distance) C4'-P energy: -94.061
bonds (distance) P-C4' energy: -98.888
flat angles C4'-P-C4' energy: -119.209
flat angles P-C4'-P energy: -76.424
tors. eta vs tors. theta energy: -159.846
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: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1840.363596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.363596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.363596 (E_RNA)
where:
Base-Base interactions energy: -1297.824
where: short stacking energy: -489.443
Base-Backbone interact. energy: -4.311
local terms energy: -538.228998
where:
bonds (distance) C4'-P energy: -99.024
bonds (distance) P-C4' energy: -112.022
flat angles C4'-P-C4' energy: -116.452
flat angles P-C4'-P energy: -78.023
tors. eta vs tors. theta energy: -132.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1683.476560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.476560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.476560 (E_RNA)
where:
Base-Base interactions energy: -1144.257
where: short stacking energy: -460.247
Base-Backbone interact. energy: -4.291
local terms energy: -534.928711
where:
bonds (distance) C4'-P energy: -103.176
bonds (distance) P-C4' energy: -103.807
flat angles C4'-P-C4' energy: -117.039
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -142.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1390.696562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.696562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.696562 (E_RNA)
where:
Base-Base interactions energy: -931.973
where: short stacking energy: -402.272
Base-Backbone interact. energy: -3.559
local terms energy: -455.164395
where:
bonds (distance) C4'-P energy: -77.546
bonds (distance) P-C4' energy: -110.407
flat angles C4'-P-C4' energy: -102.527
flat angles P-C4'-P energy: -75.988
tors. eta vs tors. theta energy: -88.696
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1286.317861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.317861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.317861 (E_RNA)
where:
Base-Base interactions energy: -871.660
where: short stacking energy: -354.622
Base-Backbone interact. energy: -0.889
local terms energy: -413.768290
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -97.854
flat angles C4'-P-C4' energy: -92.719
flat angles P-C4'-P energy: -63.188
tors. eta vs tors. theta energy: -68.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -985.036040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.036040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.036040 (E_RNA)
where:
Base-Base interactions energy: -580.687
where: short stacking energy: -269.924
Base-Backbone interact. energy: 1.001
local terms energy: -405.349989
where:
bonds (distance) C4'-P energy: -99.313
bonds (distance) P-C4' energy: -117.728
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -849.902488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.902488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.902488 (E_RNA)
where:
Base-Base interactions energy: -491.931
where: short stacking energy: -240.197
Base-Backbone interact. energy: 0.127
local terms energy: -358.098850
where:
bonds (distance) C4'-P energy: -107.830
bonds (distance) P-C4' energy: -102.517
flat angles C4'-P-C4' energy: -91.202
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2109.327161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.327161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.327161 (E_RNA)
where:
Base-Base interactions energy: -1481.026
where: short stacking energy: -615.028
Base-Backbone interact. energy: -4.945
local terms energy: -623.355455
where:
bonds (distance) C4'-P energy: -111.130
bonds (distance) P-C4' energy: -118.045
flat angles C4'-P-C4' energy: -123.980
flat angles P-C4'-P energy: -96.225
tors. eta vs tors. theta energy: -173.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2035.114864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.114864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.114864 (E_RNA)
where:
Base-Base interactions energy: -1418.100
where: short stacking energy: -582.879
Base-Backbone interact. energy: 1.865
local terms energy: -618.879876
where:
bonds (distance) C4'-P energy: -105.796
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -139.327
flat angles P-C4'-P energy: -87.537
tors. eta vs tors. theta energy: -174.068
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: 26
Temperature: 1.000000
Total energy: -1963.983597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.983597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.983597 (E_RNA)
where:
Base-Base interactions energy: -1359.479
where: short stacking energy: -534.392
Base-Backbone interact. energy: -3.586
local terms energy: -600.918693
where:
bonds (distance) C4'-P energy: -119.559
bonds (distance) P-C4' energy: -105.758
flat angles C4'-P-C4' energy: -129.983
flat angles P-C4'-P energy: -88.385
tors. eta vs tors. theta energy: -157.234
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: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1850.188835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.188835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.188835 (E_RNA)
where:
Base-Base interactions energy: -1277.287
where: short stacking energy: -524.180
Base-Backbone interact. energy: -0.010
local terms energy: -572.891730
where:
bonds (distance) C4'-P energy: -108.173
bonds (distance) P-C4' energy: -101.011
flat angles C4'-P-C4' energy: -133.938
flat angles P-C4'-P energy: -77.843
tors. eta vs tors. theta energy: -151.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1769.585716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.585716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.585716 (E_RNA)
where:
Base-Base interactions energy: -1221.178
where: short stacking energy: -489.361
Base-Backbone interact. energy: -5.559
local terms energy: -542.848256
where:
bonds (distance) C4'-P energy: -102.624
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -121.237
flat angles P-C4'-P energy: -77.626
tors. eta vs tors. theta energy: -133.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1657.483739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.483739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.483739 (E_RNA)
where:
Base-Base interactions energy: -1153.808
where: short stacking energy: -469.606
Base-Backbone interact. energy: 4.347
local terms energy: -508.022719
where:
bonds (distance) C4'-P energy: -94.596
bonds (distance) P-C4' energy: -96.233
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: -128.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1389.671974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.671974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.671974 (E_RNA)
where:
Base-Base interactions energy: -884.377
where: short stacking energy: -393.688
Base-Backbone interact. energy: 1.137
local terms energy: -506.432014
where:
bonds (distance) C4'-P energy: -94.273
bonds (distance) P-C4' energy: -114.451
flat angles C4'-P-C4' energy: -122.687
flat angles P-C4'-P energy: -68.389
tors. eta vs tors. theta energy: -106.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1326.135285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.135285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.135285 (E_RNA)
where:
Base-Base interactions energy: -886.194
where: short stacking energy: -381.546
Base-Backbone interact. energy: 0.333
local terms energy: -440.274350
where:
bonds (distance) C4'-P energy: -86.472
bonds (distance) P-C4' energy: -96.048
flat angles C4'-P-C4' energy: -101.008
flat angles P-C4'-P energy: -71.760
tors. eta vs tors. theta energy: -84.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -902.716101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.716101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.716101 (E_RNA)
where:
Base-Base interactions energy: -520.177
where: short stacking energy: -253.240
Base-Backbone interact. energy: -3.383
local terms energy: -379.156181
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -79.704
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -58.514
tors. eta vs tors. theta energy: -47.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -908.039014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.039014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.039014 (E_RNA)
where:
Base-Base interactions energy: -555.750
where: short stacking energy: -266.178
Base-Backbone interact. energy: -1.619
local terms energy: -350.670132
where:
bonds (distance) C4'-P energy: -79.385
bonds (distance) P-C4' energy: -101.049
flat angles C4'-P-C4' energy: -81.475
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -44.527
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: 27
Temperature: 0.900000
Total energy: -2125.139947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.139947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.139947 (E_RNA)
where:
Base-Base interactions energy: -1491.370
where: short stacking energy: -609.906
Base-Backbone interact. energy: -3.282
local terms energy: -630.488301
where:
bonds (distance) C4'-P energy: -122.223
bonds (distance) P-C4' energy: -112.725
flat angles C4'-P-C4' energy: -139.025
flat angles P-C4'-P energy: -83.323
tors. eta vs tors. theta energy: -173.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2017.148177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.148177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.148177 (E_RNA)
where:
Base-Base interactions energy: -1420.658
where: short stacking energy: -584.957
Base-Backbone interact. energy: 0.812
local terms energy: -597.301698
where:
bonds (distance) C4'-P energy: -104.939
bonds (distance) P-C4' energy: -112.449
flat angles C4'-P-C4' energy: -122.000
flat angles P-C4'-P energy: -95.967
tors. eta vs tors. theta energy: -161.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1950.106079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.106079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.106079 (E_RNA)
where:
Base-Base interactions energy: -1373.469
where: short stacking energy: -556.080
Base-Backbone interact. energy: -1.925
local terms energy: -574.712424
where:
bonds (distance) C4'-P energy: -95.952
bonds (distance) P-C4' energy: -113.119
flat angles C4'-P-C4' energy: -122.421
flat angles P-C4'-P energy: -91.390
tors. eta vs tors. theta energy: -151.830
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: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1889.033813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.033813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.033813 (E_RNA)
where:
Base-Base interactions energy: -1303.094
where: short stacking energy: -536.348
Base-Backbone interact. energy: 0.171
local terms energy: -586.110696
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -107.521
flat angles C4'-P-C4' energy: -128.792
flat angles P-C4'-P energy: -93.180
tors. eta vs tors. theta energy: -146.562
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1790.896316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.896316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.896316 (E_RNA)
where:
Base-Base interactions energy: -1273.947
where: short stacking energy: -485.831
Base-Backbone interact. energy: -5.944
local terms energy: -511.005360
where:
bonds (distance) C4'-P energy: -80.603
bonds (distance) P-C4' energy: -105.298
flat angles C4'-P-C4' energy: -113.219
flat angles P-C4'-P energy: -84.960
tors. eta vs tors. theta energy: -126.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1665.233374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.233374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.233374 (E_RNA)
where:
Base-Base interactions energy: -1124.836
where: short stacking energy: -451.016
Base-Backbone interact. energy: 1.937
local terms energy: -542.334021
where:
bonds (distance) C4'-P energy: -112.314
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -113.907
flat angles P-C4'-P energy: -74.083
tors. eta vs tors. theta energy: -127.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1362.555255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.555255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.555255 (E_RNA)
where:
Base-Base interactions energy: -878.499
where: short stacking energy: -384.706
Base-Backbone interact. energy: 1.185
local terms energy: -485.241278
where:
bonds (distance) C4'-P energy: -96.206
bonds (distance) P-C4' energy: -119.032
flat angles C4'-P-C4' energy: -124.630
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: -89.939
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1252.897961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.897961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.897961 (E_RNA)
where:
Base-Base interactions energy: -820.380
where: short stacking energy: -339.995
Base-Backbone interact. energy: -4.237
local terms energy: -428.280432
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -91.897
flat angles C4'-P-C4' energy: -106.825
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -64.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -937.806094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.806094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.806094 (E_RNA)
where:
Base-Base interactions energy: -521.919
where: short stacking energy: -264.601
Base-Backbone interact. energy: -1.893
local terms energy: -413.993819
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -98.765
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -58.647
tors. eta vs tors. theta energy: -51.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -915.108172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.108172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.108172 (E_RNA)
where:
Base-Base interactions energy: -548.991
where: short stacking energy: -273.321
Base-Backbone interact. energy: -0.138
local terms energy: -365.979323
where:
bonds (distance) C4'-P energy: -105.005
bonds (distance) P-C4' energy: -85.524
flat angles C4'-P-C4' energy: -92.420
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2111.569302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.569302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.569302 (E_RNA)
where:
Base-Base interactions energy: -1473.969
where: short stacking energy: -583.945
Base-Backbone interact. energy: -2.290
local terms energy: -635.309774
where:
bonds (distance) C4'-P energy: -117.552
bonds (distance) P-C4' energy: -116.172
flat angles C4'-P-C4' energy: -124.283
flat angles P-C4'-P energy: -101.540
tors. eta vs tors. theta energy: -175.762
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2030.092063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.092063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.092063 (E_RNA)
where:
Base-Base interactions energy: -1442.794
where: short stacking energy: -577.661
Base-Backbone interact. energy: -2.203
local terms energy: -585.095060
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -100.536
flat angles C4'-P-C4' energy: -124.221
flat angles P-C4'-P energy: -78.944
tors. eta vs tors. theta energy: -159.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1914.566637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.566637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.566637 (E_RNA)
where:
Base-Base interactions energy: -1334.050
where: short stacking energy: -527.076
Base-Backbone interact. energy: -2.928
local terms energy: -577.588376
where:
bonds (distance) C4'-P energy: -112.639
bonds (distance) P-C4' energy: -102.886
flat angles C4'-P-C4' energy: -128.216
flat angles P-C4'-P energy: -79.400
tors. eta vs tors. theta energy: -154.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1882.327573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.327573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.327573 (E_RNA)
where:
Base-Base interactions energy: -1304.342
where: short stacking energy: -532.840
Base-Backbone interact. energy: -2.183
local terms energy: -575.802772
where:
bonds (distance) C4'-P energy: -106.595
bonds (distance) P-C4' energy: -98.070
flat angles C4'-P-C4' energy: -131.105
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -150.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1774.343091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.343091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.343091 (E_RNA)
where:
Base-Base interactions energy: -1267.987
where: short stacking energy: -478.892
Base-Backbone interact. energy: -0.527
local terms energy: -505.829122
where:
bonds (distance) C4'-P energy: -111.525
bonds (distance) P-C4' energy: -90.533
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -68.640
tors. eta vs tors. theta energy: -122.796
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: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1723.072180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.072180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.072180 (E_RNA)
where:
Base-Base interactions energy: -1201.777
where: short stacking energy: -479.025
Base-Backbone interact. energy: -3.141
local terms energy: -518.154170
where:
bonds (distance) C4'-P energy: -84.904
bonds (distance) P-C4' energy: -117.488
flat angles C4'-P-C4' energy: -108.120
flat angles P-C4'-P energy: -70.416
tors. eta vs tors. theta energy: -137.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1375.362293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.362293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.362293 (E_RNA)
where:
Base-Base interactions energy: -936.644
where: short stacking energy: -390.610
Base-Backbone interact. energy: 0.371
local terms energy: -439.090094
where:
bonds (distance) C4'-P energy: -84.874
bonds (distance) P-C4' energy: -103.977
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -59.202
tors. eta vs tors. theta energy: -87.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1252.813668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.813668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.813668 (E_RNA)
where:
Base-Base interactions energy: -836.343
where: short stacking energy: -357.013
Base-Backbone interact. energy: -3.570
local terms energy: -412.900201
where:
bonds (distance) C4'-P energy: -95.736
bonds (distance) P-C4' energy: -92.562
flat angles C4'-P-C4' energy: -98.327
flat angles P-C4'-P energy: -52.102
tors. eta vs tors. theta energy: -74.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -958.557172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.557172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.557172 (E_RNA)
where:
Base-Base interactions energy: -592.507
where: short stacking energy: -283.215
Base-Backbone interact. energy: 3.859
local terms energy: -369.909275
where:
bonds (distance) C4'-P energy: -85.332
bonds (distance) P-C4' energy: -81.749
flat angles C4'-P-C4' energy: -101.914
flat angles P-C4'-P energy: -63.224
tors. eta vs tors. theta energy: -37.691
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: 28
Temperature: 1.350000
Total energy: -832.034451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.034451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.034451 (E_RNA)
where:
Base-Base interactions energy: -517.283
where: short stacking energy: -242.010
Base-Backbone interact. energy: -2.384
local terms energy: -312.367970
where:
bonds (distance) C4'-P energy: -65.306
bonds (distance) P-C4' energy: -88.476
flat angles C4'-P-C4' energy: -78.042
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -28.236
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: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2093.343399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.343399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.343399 (E_RNA)
where:
Base-Base interactions energy: -1462.140
where: short stacking energy: -604.489
Base-Backbone interact. energy: -2.559
local terms energy: -628.644204
where:
bonds (distance) C4'-P energy: -111.008
bonds (distance) P-C4' energy: -112.635
flat angles C4'-P-C4' energy: -137.388
flat angles P-C4'-P energy: -94.274
tors. eta vs tors. theta energy: -173.339
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2031.592263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.592263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.592263 (E_RNA)
where:
Base-Base interactions energy: -1432.775
where: short stacking energy: -558.610
Base-Backbone interact. energy: -1.848
local terms energy: -596.969228
where:
bonds (distance) C4'-P energy: -108.563
bonds (distance) P-C4' energy: -105.591
flat angles C4'-P-C4' energy: -135.571
flat angles P-C4'-P energy: -82.567
tors. eta vs tors. theta energy: -164.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1958.168207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.168207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.168207 (E_RNA)
where:
Base-Base interactions energy: -1372.842
where: short stacking energy: -550.757
Base-Backbone interact. energy: -2.423
local terms energy: -582.903693
where:
bonds (distance) C4'-P energy: -107.953
bonds (distance) P-C4' energy: -116.780
flat angles C4'-P-C4' energy: -119.599
flat angles P-C4'-P energy: -78.576
tors. eta vs tors. theta energy: -159.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1852.476299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.476299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.476299 (E_RNA)
where:
Base-Base interactions energy: -1305.301
where: short stacking energy: -524.103
Base-Backbone interact. energy: 3.025
local terms energy: -550.199942
where:
bonds (distance) C4'-P energy: -106.696
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -125.225
flat angles P-C4'-P energy: -71.488
tors. eta vs tors. theta energy: -151.636
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1757.714887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.714887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.714887 (E_RNA)
where:
Base-Base interactions energy: -1242.009
where: short stacking energy: -492.543
Base-Backbone interact. energy: -1.459
local terms energy: -514.246728
where:
bonds (distance) C4'-P energy: -101.855
bonds (distance) P-C4' energy: -101.839
flat angles C4'-P-C4' energy: -106.979
flat angles P-C4'-P energy: -77.713
tors. eta vs tors. theta energy: -125.860
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1693.169324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.169324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.169324 (E_RNA)
where:
Base-Base interactions energy: -1194.624
where: short stacking energy: -491.667
Base-Backbone interact. energy: 1.929
local terms energy: -500.473748
where:
bonds (distance) C4'-P energy: -109.108
bonds (distance) P-C4' energy: -75.058
flat angles C4'-P-C4' energy: -121.418
flat angles P-C4'-P energy: -74.473
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: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1407.715844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.715844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.715844 (E_RNA)
where:
Base-Base interactions energy: -936.740
where: short stacking energy: -407.183
Base-Backbone interact. energy: -1.197
local terms energy: -469.778656
where:
bonds (distance) C4'-P energy: -98.754
bonds (distance) P-C4' energy: -89.831
flat angles C4'-P-C4' energy: -114.852
flat angles P-C4'-P energy: -67.466
tors. eta vs tors. theta energy: -98.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1226.410620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.410620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.410620 (E_RNA)
where:
Base-Base interactions energy: -783.931
where: short stacking energy: -339.770
Base-Backbone interact. energy: -2.097
local terms energy: -440.382042
where:
bonds (distance) C4'-P energy: -90.920
bonds (distance) P-C4' energy: -103.703
flat angles C4'-P-C4' energy: -106.128
flat angles P-C4'-P energy: -66.683
tors. eta vs tors. theta energy: -72.947
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -927.666744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.666744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.666744 (E_RNA)
where:
Base-Base interactions energy: -553.613
where: short stacking energy: -275.064
Base-Backbone interact. energy: -1.816
local terms energy: -372.237765
where:
bonds (distance) C4'-P energy: -88.232
bonds (distance) P-C4' energy: -87.187
flat angles C4'-P-C4' energy: -87.693
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -50.497
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: 29
Temperature: 1.350000
Total energy: -838.863906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.863906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.863906 (E_RNA)
where:
Base-Base interactions energy: -490.213
where: short stacking energy: -225.463
Base-Backbone interact. energy: 3.041
local terms energy: -351.692178
where:
bonds (distance) C4'-P energy: -78.519
bonds (distance) P-C4' energy: -95.337
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -19.770
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: 30
Temperature: 0.900000
Total energy: -2120.243575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.243575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.243575 (E_RNA)
where:
Base-Base interactions energy: -1489.189
where: short stacking energy: -613.267
Base-Backbone interact. energy: -3.199
local terms energy: -627.856160
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -107.439
flat angles C4'-P-C4' energy: -134.399
flat angles P-C4'-P energy: -85.057
tors. eta vs tors. theta energy: -181.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2039.672922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.672922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.672922 (E_RNA)
where:
Base-Base interactions energy: -1431.781
where: short stacking energy: -558.946
Base-Backbone interact. energy: -1.679
local terms energy: -606.213139
where:
bonds (distance) C4'-P energy: -103.162
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -120.710
flat angles P-C4'-P energy: -84.678
tors. eta vs tors. theta energy: -171.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1983.540913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.540913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.540913 (E_RNA)
where:
Base-Base interactions energy: -1381.467
where: short stacking energy: -548.820
Base-Backbone interact. energy: -2.929
local terms energy: -599.145276
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -112.399
flat angles C4'-P-C4' energy: -133.475
flat angles P-C4'-P energy: -77.491
tors. eta vs tors. theta energy: -157.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1860.976476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.976476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.976476 (E_RNA)
where:
Base-Base interactions energy: -1261.353
where: short stacking energy: -536.328
Base-Backbone interact. energy: -2.112
local terms energy: -597.511106
where:
bonds (distance) C4'-P energy: -117.628
bonds (distance) P-C4' energy: -110.686
flat angles C4'-P-C4' energy: -127.477
flat angles P-C4'-P energy: -85.709
tors. eta vs tors. theta energy: -156.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1769.755434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.755434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.755434 (E_RNA)
where:
Base-Base interactions energy: -1233.863
where: short stacking energy: -462.921
Base-Backbone interact. energy: -3.863
local terms energy: -532.029927
where:
bonds (distance) C4'-P energy: -106.146
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -124.480
flat angles P-C4'-P energy: -73.549
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: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1677.770617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.770617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.770617 (E_RNA)
where:
Base-Base interactions energy: -1183.447
where: short stacking energy: -453.702
Base-Backbone interact. energy: -0.161
local terms energy: -494.162372
where:
bonds (distance) C4'-P energy: -104.946
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -113.648
flat angles P-C4'-P energy: -75.005
tors. eta vs tors. theta energy: -126.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1395.600680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.600680 (E_RNA)
where:
Base-Base interactions energy: -954.810
where: short stacking energy: -379.413
Base-Backbone interact. energy: -1.187
local terms energy: -439.604539
where:
bonds (distance) C4'-P energy: -87.308
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -98.753
flat angles P-C4'-P energy: -61.436
tors. eta vs tors. theta energy: -84.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1219.673347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.673347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.673347 (E_RNA)
where:
Base-Base interactions energy: -796.553
where: short stacking energy: -358.286
Base-Backbone interact. energy: 0.139
local terms energy: -423.258909
where:
bonds (distance) C4'-P energy: -95.095
bonds (distance) P-C4' energy: -107.987
flat angles C4'-P-C4' energy: -90.952
flat angles P-C4'-P energy: -66.609
tors. eta vs tors. theta energy: -62.616
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -895.364023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.364023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.364023 (E_RNA)
where:
Base-Base interactions energy: -501.387
where: short stacking energy: -260.475
Base-Backbone interact. energy: 0.181
local terms energy: -394.157562
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -104.367
flat angles C4'-P-C4' energy: -85.394
flat angles P-C4'-P energy: -61.982
tors. eta vs tors. theta energy: -52.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -842.121935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.121935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.121935 (E_RNA)
where:
Base-Base interactions energy: -500.412
where: short stacking energy: -235.934
Base-Backbone interact. energy: 0.878
local terms energy: -342.588496
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -78.960
flat angles C4'-P-C4' energy: -100.594
flat angles P-C4'-P energy: -60.443
tors. eta vs tors. theta energy: -22.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2128.358172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.358172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.358172 (E_RNA)
where:
Base-Base interactions energy: -1500.850
where: short stacking energy: -591.305
Base-Backbone interact. energy: 0.139
local terms energy: -627.646568
where:
bonds (distance) C4'-P energy: -112.964
bonds (distance) P-C4' energy: -111.085
flat angles C4'-P-C4' energy: -141.803
flat angles P-C4'-P energy: -94.410
tors. eta vs tors. theta energy: -167.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2022.442647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.442647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.442647 (E_RNA)
where:
Base-Base interactions energy: -1426.597
where: short stacking energy: -579.695
Base-Backbone interact. energy: -4.506
local terms energy: -591.339594
where:
bonds (distance) C4'-P energy: -104.870
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -129.561
flat angles P-C4'-P energy: -85.631
tors. eta vs tors. theta energy: -166.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2004.678723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.678723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.678723 (E_RNA)
where:
Base-Base interactions energy: -1411.243
where: short stacking energy: -580.251
Base-Backbone interact. energy: -2.202
local terms energy: -591.233978
where:
bonds (distance) C4'-P energy: -98.787
bonds (distance) P-C4' energy: -121.920
flat angles C4'-P-C4' energy: -121.872
flat angles P-C4'-P energy: -81.012
tors. eta vs tors. theta energy: -167.643
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1859.394447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.394447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.394447 (E_RNA)
where:
Base-Base interactions energy: -1286.242
where: short stacking energy: -530.208
Base-Backbone interact. energy: -3.537
local terms energy: -569.615118
where:
bonds (distance) C4'-P energy: -115.549
bonds (distance) P-C4' energy: -114.623
flat angles C4'-P-C4' energy: -114.990
flat angles P-C4'-P energy: -77.637
tors. eta vs tors. theta energy: -146.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1761.250310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.250310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.250310 (E_RNA)
where:
Base-Base interactions energy: -1211.094
where: short stacking energy: -475.826
Base-Backbone interact. energy: -3.656
local terms energy: -546.500004
where:
bonds (distance) C4'-P energy: -104.516
bonds (distance) P-C4' energy: -103.336
flat angles C4'-P-C4' energy: -119.387
flat angles P-C4'-P energy: -86.887
tors. eta vs tors. theta energy: -132.373
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: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1664.046383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.046383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.046383 (E_RNA)
where:
Base-Base interactions energy: -1160.581
where: short stacking energy: -454.244
Base-Backbone interact. energy: -2.483
local terms energy: -500.982813
where:
bonds (distance) C4'-P energy: -100.813
bonds (distance) P-C4' energy: -104.073
flat angles C4'-P-C4' energy: -113.174
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -116.175
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: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1418.753391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.753391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.753391 (E_RNA)
where:
Base-Base interactions energy: -948.355
where: short stacking energy: -407.583
Base-Backbone interact. energy: -2.894
local terms energy: -467.504563
where:
bonds (distance) C4'-P energy: -96.978
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -100.169
flat angles P-C4'-P energy: -64.189
tors. eta vs tors. theta energy: -104.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1238.285192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.285192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.285192 (E_RNA)
where:
Base-Base interactions energy: -804.567
where: short stacking energy: -349.587
Base-Backbone interact. energy: -1.854
local terms energy: -431.864239
where:
bonds (distance) C4'-P energy: -89.104
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -106.368
flat angles P-C4'-P energy: -73.901
tors. eta vs tors. theta energy: -51.955
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: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -863.191484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.191484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.191484 (E_RNA)
where:
Base-Base interactions energy: -503.767
where: short stacking energy: -247.147
Base-Backbone interact. energy: 2.190
local terms energy: -361.614909
where:
bonds (distance) C4'-P energy: -82.001
bonds (distance) P-C4' energy: -105.537
flat angles C4'-P-C4' energy: -91.054
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: -22.554
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -820.336195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.336195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.336195 (E_RNA)
where:
Base-Base interactions energy: -456.187
where: short stacking energy: -211.571
Base-Backbone interact. energy: -0.994
local terms energy: -363.154482
where:
bonds (distance) C4'-P energy: -83.049
bonds (distance) P-C4' energy: -82.719
flat angles C4'-P-C4' energy: -104.934
flat angles P-C4'-P energy: -61.330
tors. eta vs tors. theta energy: -31.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2114.884603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.884603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.884603 (E_RNA)
where:
Base-Base interactions energy: -1502.951
where: short stacking energy: -600.996
Base-Backbone interact. energy: 0.364
local terms energy: -612.297336
where:
bonds (distance) C4'-P energy: -107.578
bonds (distance) P-C4' energy: -120.856
flat angles C4'-P-C4' energy: -128.655
flat angles P-C4'-P energy: -82.362
tors. eta vs tors. theta energy: -172.845
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: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2006.182866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.182866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.182866 (E_RNA)
where:
Base-Base interactions energy: -1416.594
where: short stacking energy: -559.711
Base-Backbone interact. energy: -1.470
local terms energy: -588.118612
where:
bonds (distance) C4'-P energy: -100.045
bonds (distance) P-C4' energy: -106.612
flat angles C4'-P-C4' energy: -123.192
flat angles P-C4'-P energy: -91.657
tors. eta vs tors. theta energy: -166.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1991.641293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.641293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.641293 (E_RNA)
where:
Base-Base interactions energy: -1406.209
where: short stacking energy: -566.314
Base-Backbone interact. energy: 1.438
local terms energy: -586.870559
where:
bonds (distance) C4'-P energy: -109.763
bonds (distance) P-C4' energy: -114.222
flat angles C4'-P-C4' energy: -123.525
flat angles P-C4'-P energy: -82.546
tors. eta vs tors. theta energy: -156.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1844.394229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.394229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.394229 (E_RNA)
where:
Base-Base interactions energy: -1293.022
where: short stacking energy: -513.384
Base-Backbone interact. energy: -2.913
local terms energy: -548.459637
where:
bonds (distance) C4'-P energy: -96.924
bonds (distance) P-C4' energy: -113.348
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -78.794
tors. eta vs tors. theta energy: -141.812
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1766.640329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.640329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.640329 (E_RNA)
where:
Base-Base interactions energy: -1223.804
where: short stacking energy: -502.814
Base-Backbone interact. energy: -4.300
local terms energy: -538.536551
where:
bonds (distance) C4'-P energy: -80.701
bonds (distance) P-C4' energy: -108.430
flat angles C4'-P-C4' energy: -121.136
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -143.715
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: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1645.326140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.326140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.326140 (E_RNA)
where:
Base-Base interactions energy: -1158.455
where: short stacking energy: -448.720
Base-Backbone interact. energy: -7.492
local terms energy: -479.379085
where:
bonds (distance) C4'-P energy: -98.480
bonds (distance) P-C4' energy: -92.097
flat angles C4'-P-C4' energy: -102.857
flat angles P-C4'-P energy: -71.103
tors. eta vs tors. theta energy: -114.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1401.381597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.381597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.381597 (E_RNA)
where:
Base-Base interactions energy: -950.482
where: short stacking energy: -422.262
Base-Backbone interact. energy: -1.548
local terms energy: -449.351332
where:
bonds (distance) C4'-P energy: -110.799
bonds (distance) P-C4' energy: -86.403
flat angles C4'-P-C4' energy: -81.305
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -96.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1204.373105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.373105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.373105 (E_RNA)
where:
Base-Base interactions energy: -796.021
where: short stacking energy: -348.701
Base-Backbone interact. energy: 0.338
local terms energy: -408.689953
where:
bonds (distance) C4'-P energy: -94.263
bonds (distance) P-C4' energy: -94.349
flat angles C4'-P-C4' energy: -94.467
flat angles P-C4'-P energy: -55.522
tors. eta vs tors. theta energy: -70.088
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: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -945.448493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.448493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.448493 (E_RNA)
where:
Base-Base interactions energy: -576.408
where: short stacking energy: -285.321
Base-Backbone interact. energy: -0.613
local terms energy: -368.427439
where:
bonds (distance) C4'-P energy: -86.246
bonds (distance) P-C4' energy: -79.551
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -72.146
tors. eta vs tors. theta energy: -43.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -766.298465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.298465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.298465 (E_RNA)
where:
Base-Base interactions energy: -426.322
where: short stacking energy: -203.498
Base-Backbone interact. energy: 2.003
local terms energy: -341.979321
where:
bonds (distance) C4'-P energy: -92.860
bonds (distance) P-C4' energy: -107.037
flat angles C4'-P-C4' energy: -83.818
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -14.530
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: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2122.181259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.181259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.181259 (E_RNA)
where:
Base-Base interactions energy: -1502.934
where: short stacking energy: -617.984
Base-Backbone interact. energy: -1.536
local terms energy: -617.711079
where:
bonds (distance) C4'-P energy: -112.585
bonds (distance) P-C4' energy: -113.375
flat angles C4'-P-C4' energy: -135.417
flat angles P-C4'-P energy: -86.264
tors. eta vs tors. theta energy: -170.071
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: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2033.713567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.713567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.713567 (E_RNA)
where:
Base-Base interactions energy: -1432.400
where: short stacking energy: -567.229
Base-Backbone interact. energy: 0.012
local terms energy: -601.325404
where:
bonds (distance) C4'-P energy: -104.811
bonds (distance) P-C4' energy: -101.808
flat angles C4'-P-C4' energy: -139.140
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -157.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1989.259149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.259149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.259149 (E_RNA)
where:
Base-Base interactions energy: -1389.756
where: short stacking energy: -570.766
Base-Backbone interact. energy: -0.692
local terms energy: -598.811275
where:
bonds (distance) C4'-P energy: -106.538
bonds (distance) P-C4' energy: -121.849
flat angles C4'-P-C4' energy: -120.286
flat angles P-C4'-P energy: -84.785
tors. eta vs tors. theta energy: -165.352
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: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1852.798604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.798604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.798604 (E_RNA)
where:
Base-Base interactions energy: -1314.841
where: short stacking energy: -537.466
Base-Backbone interact. energy: -0.398
local terms energy: -537.558991
where:
bonds (distance) C4'-P energy: -104.401
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -111.198
flat angles P-C4'-P energy: -71.186
tors. eta vs tors. theta energy: -153.826
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: 33
Temperature: 1.100000
Total energy: -1762.072686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.072686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.072686 (E_RNA)
where:
Base-Base interactions energy: -1222.744
where: short stacking energy: -506.142
Base-Backbone interact. energy: -2.279
local terms energy: -537.050202
where:
bonds (distance) C4'-P energy: -103.467
bonds (distance) P-C4' energy: -98.143
flat angles C4'-P-C4' energy: -119.288
flat angles P-C4'-P energy: -83.697
tors. eta vs tors. theta energy: -132.455
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: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1646.003759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.003759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.003759 (E_RNA)
where:
Base-Base interactions energy: -1156.032
where: short stacking energy: -454.403
Base-Backbone interact. energy: 1.258
local terms energy: -491.229984
where:
bonds (distance) C4'-P energy: -94.764
bonds (distance) P-C4' energy: -103.445
flat angles C4'-P-C4' energy: -109.531
flat angles P-C4'-P energy: -68.242
tors. eta vs tors. theta energy: -115.248
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1372.238155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.238155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.238155 (E_RNA)
where:
Base-Base interactions energy: -913.664
where: short stacking energy: -401.235
Base-Backbone interact. energy: 1.350
local terms energy: -459.923792
where:
bonds (distance) C4'-P energy: -93.027
bonds (distance) P-C4' energy: -84.174
flat angles C4'-P-C4' energy: -113.521
flat angles P-C4'-P energy: -83.307
tors. eta vs tors. theta energy: -85.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1233.866078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.866078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.866078 (E_RNA)
where:
Base-Base interactions energy: -810.608
where: short stacking energy: -347.368
Base-Backbone interact. energy: -1.768
local terms energy: -421.490423
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -914.691268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.691268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.691268 (E_RNA)
where:
Base-Base interactions energy: -549.722
where: short stacking energy: -271.767
Base-Backbone interact. energy: -2.903
local terms energy: -362.066286
where:
bonds (distance) C4'-P energy: -89.504
bonds (distance) P-C4' energy: -88.586
flat angles C4'-P-C4' energy: -87.335
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -42.714
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -819.625001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.625001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.625001 (E_RNA)
where:
Base-Base interactions energy: -494.181
where: short stacking energy: -232.207
Base-Backbone interact. energy: 3.797
local terms energy: -329.241556
where:
bonds (distance) C4'-P energy: -87.097
bonds (distance) P-C4' energy: -98.356
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2100.139099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.139099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.139099 (E_RNA)
where:
Base-Base interactions energy: -1468.670
where: short stacking energy: -599.714
Base-Backbone interact. energy: -1.729
local terms energy: -629.739644
where:
bonds (distance) C4'-P energy: -111.045
bonds (distance) P-C4' energy: -123.552
flat angles C4'-P-C4' energy: -136.109
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -178.998
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2015.301538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.301538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.301538 (E_RNA)
where:
Base-Base interactions energy: -1410.134
where: short stacking energy: -561.179
Base-Backbone interact. energy: -0.879
local terms energy: -604.288484
where:
bonds (distance) C4'-P energy: -116.886
bonds (distance) P-C4' energy: -118.221
flat angles C4'-P-C4' energy: -124.098
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -161.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1909.090303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.090303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.090303 (E_RNA)
where:
Base-Base interactions energy: -1317.976
where: short stacking energy: -542.796
Base-Backbone interact. energy: -6.391
local terms energy: -584.724161
where:
bonds (distance) C4'-P energy: -90.899
bonds (distance) P-C4' energy: -121.620
flat angles C4'-P-C4' energy: -130.238
flat angles P-C4'-P energy: -83.014
tors. eta vs tors. theta energy: -158.953
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: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1883.788909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.788909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.788909 (E_RNA)
where:
Base-Base interactions energy: -1293.140
where: short stacking energy: -538.606
Base-Backbone interact. energy: -1.839
local terms energy: -588.809444
where:
bonds (distance) C4'-P energy: -105.129
bonds (distance) P-C4' energy: -108.343
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -90.378
tors. eta vs tors. theta energy: -166.321
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: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1742.863658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.863658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.863658 (E_RNA)
where:
Base-Base interactions energy: -1194.305
where: short stacking energy: -480.105
Base-Backbone interact. energy: -4.386
local terms energy: -544.172741
where:
bonds (distance) C4'-P energy: -100.391
bonds (distance) P-C4' energy: -105.880
flat angles C4'-P-C4' energy: -112.646
flat angles P-C4'-P energy: -83.522
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: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1637.768591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.768591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.768591 (E_RNA)
where:
Base-Base interactions energy: -1148.551
where: short stacking energy: -449.442
Base-Backbone interact. energy: -1.704
local terms energy: -487.513733
where:
bonds (distance) C4'-P energy: -101.363
bonds (distance) P-C4' energy: -96.787
flat angles C4'-P-C4' energy: -103.749
flat angles P-C4'-P energy: -67.737
tors. eta vs tors. theta energy: -117.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1386.676688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.676688 (E_RNA)
where:
Base-Base interactions energy: -908.592
where: short stacking energy: -399.226
Base-Backbone interact. energy: -1.716
local terms energy: -476.369058
where:
bonds (distance) C4'-P energy: -98.244
bonds (distance) P-C4' energy: -108.257
flat angles C4'-P-C4' energy: -101.455
flat angles P-C4'-P energy: -80.050
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1164.855783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.855783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.855783 (E_RNA)
where:
Base-Base interactions energy: -760.502
where: short stacking energy: -312.724
Base-Backbone interact. energy: -0.541
local terms energy: -403.813539
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -90.991
flat angles C4'-P-C4' energy: -112.515
flat angles P-C4'-P energy: -52.493
tors. eta vs tors. theta energy: -53.326
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: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -827.961601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.961601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.961601 (E_RNA)
where:
Base-Base interactions energy: -490.967
where: short stacking energy: -268.067
Base-Backbone interact. energy: -1.956
local terms energy: -335.037833
where:
bonds (distance) C4'-P energy: -86.832
bonds (distance) P-C4' energy: -76.216
flat angles C4'-P-C4' energy: -99.693
flat angles P-C4'-P energy: -47.533
tors. eta vs tors. theta energy: -24.764
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -853.995084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.995084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.995084 (E_RNA)
where:
Base-Base interactions energy: -469.830
where: short stacking energy: -253.075
Base-Backbone interact. energy: 3.584
local terms energy: -387.749558
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -103.144
flat angles C4'-P-C4' energy: -111.377
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2099.478608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.478608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.478608 (E_RNA)
where:
Base-Base interactions energy: -1478.100
where: short stacking energy: -592.473
Base-Backbone interact. energy: -1.910
local terms energy: -619.468095
where:
bonds (distance) C4'-P energy: -108.610
bonds (distance) P-C4' energy: -113.816
flat angles C4'-P-C4' energy: -132.345
flat angles P-C4'-P energy: -96.640
tors. eta vs tors. theta energy: -168.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1993.169138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.169138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.169138 (E_RNA)
where:
Base-Base interactions energy: -1383.944
where: short stacking energy: -573.311
Base-Backbone interact. energy: 0.097
local terms energy: -609.323089
where:
bonds (distance) C4'-P energy: -117.771
bonds (distance) P-C4' energy: -102.763
flat angles C4'-P-C4' energy: -138.515
flat angles P-C4'-P energy: -85.927
tors. eta vs tors. theta energy: -164.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1940.933115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.933115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.933115 (E_RNA)
where:
Base-Base interactions energy: -1367.200
where: short stacking energy: -556.419
Base-Backbone interact. energy: 0.346
local terms energy: -574.078625
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -122.532
flat angles P-C4'-P energy: -71.874
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1890.664680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.664680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.664680 (E_RNA)
where:
Base-Base interactions energy: -1310.228
where: short stacking energy: -540.172
Base-Backbone interact. energy: -1.604
local terms energy: -578.832704
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -106.486
flat angles C4'-P-C4' energy: -121.873
flat angles P-C4'-P energy: -82.650
tors. eta vs tors. theta energy: -149.175
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: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1756.346375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.346375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.346375 (E_RNA)
where:
Base-Base interactions energy: -1228.824
where: short stacking energy: -496.632
Base-Backbone interact. energy: -6.415
local terms energy: -521.106856
where:
bonds (distance) C4'-P energy: -93.688
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -118.849
flat angles P-C4'-P energy: -70.699
tors. eta vs tors. theta energy: -139.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1657.763797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.763797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.763797 (E_RNA)
where:
Base-Base interactions energy: -1151.482
where: short stacking energy: -463.399
Base-Backbone interact. energy: -2.524
local terms energy: -503.758377
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -91.250
flat angles C4'-P-C4' energy: -111.055
flat angles P-C4'-P energy: -72.857
tors. eta vs tors. theta energy: -119.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1377.225084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.225084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.225084 (E_RNA)
where:
Base-Base interactions energy: -924.537
where: short stacking energy: -387.333
Base-Backbone interact. energy: -3.367
local terms energy: -449.321174
where:
bonds (distance) C4'-P energy: -103.785
bonds (distance) P-C4' energy: -97.047
flat angles C4'-P-C4' energy: -102.610
flat angles P-C4'-P energy: -52.979
tors. eta vs tors. theta energy: -92.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1258.713868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.713868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.713868 (E_RNA)
where:
Base-Base interactions energy: -808.487
where: short stacking energy: -345.749
Base-Backbone interact. energy: -3.627
local terms energy: -446.599868
where:
bonds (distance) C4'-P energy: -98.007
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -107.514
flat angles P-C4'-P energy: -53.244
tors. eta vs tors. theta energy: -86.957
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: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -915.735519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.735519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.735519 (E_RNA)
where:
Base-Base interactions energy: -534.542
where: short stacking energy: -264.525
Base-Backbone interact. energy: -4.054
local terms energy: -377.139992
where:
bonds (distance) C4'-P energy: -93.149
bonds (distance) P-C4' energy: -101.298
flat angles C4'-P-C4' energy: -102.203
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -28.343
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: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -813.447228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.447228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.447228 (E_RNA)
where:
Base-Base interactions energy: -465.463
where: short stacking energy: -220.973
Base-Backbone interact. energy: 6.404
local terms energy: -354.388667
where:
bonds (distance) C4'-P energy: -96.443
bonds (distance) P-C4' energy: -108.160
flat angles C4'-P-C4' energy: -97.248
flat angles P-C4'-P energy: -47.637
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2100.942613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.942613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.942613 (E_RNA)
where:
Base-Base interactions energy: -1456.974
where: short stacking energy: -580.290
Base-Backbone interact. energy: -3.748
local terms energy: -640.220438
where:
bonds (distance) C4'-P energy: -114.334
bonds (distance) P-C4' energy: -127.716
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -172.551
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2020.289238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.289238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.289238 (E_RNA)
where:
Base-Base interactions energy: -1419.302
where: short stacking energy: -560.636
Base-Backbone interact. energy: -0.036
local terms energy: -600.950957
where:
bonds (distance) C4'-P energy: -104.845
bonds (distance) P-C4' energy: -111.274
flat angles C4'-P-C4' energy: -132.981
flat angles P-C4'-P energy: -83.959
tors. eta vs tors. theta energy: -167.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1916.115200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.115200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.115200 (E_RNA)
where:
Base-Base interactions energy: -1338.468
where: short stacking energy: -547.555
Base-Backbone interact. energy: 2.065
local terms energy: -579.712230
where:
bonds (distance) C4'-P energy: -95.846
bonds (distance) P-C4' energy: -110.250
flat angles C4'-P-C4' energy: -120.693
flat angles P-C4'-P energy: -83.750
tors. eta vs tors. theta energy: -169.174
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: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1859.536778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.536778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.536778 (E_RNA)
where:
Base-Base interactions energy: -1312.596
where: short stacking energy: -530.689
Base-Backbone interact. energy: -3.263
local terms energy: -543.677042
where:
bonds (distance) C4'-P energy: -93.769
bonds (distance) P-C4' energy: -108.076
flat angles C4'-P-C4' energy: -117.113
flat angles P-C4'-P energy: -77.371
tors. eta vs tors. theta energy: -147.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1764.568419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.568419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.568419 (E_RNA)
where:
Base-Base interactions energy: -1233.960
where: short stacking energy: -499.430
Base-Backbone interact. energy: -5.324
local terms energy: -525.285123
where:
bonds (distance) C4'-P energy: -93.764
bonds (distance) P-C4' energy: -106.513
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -81.522
tors. eta vs tors. theta energy: -125.964
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: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1634.748922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.748922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.748922 (E_RNA)
where:
Base-Base interactions energy: -1150.266
where: short stacking energy: -467.725
Base-Backbone interact. energy: -2.094
local terms energy: -482.389671
where:
bonds (distance) C4'-P energy: -79.873
bonds (distance) P-C4' energy: -108.250
flat angles C4'-P-C4' energy: -99.387
flat angles P-C4'-P energy: -68.852
tors. eta vs tors. theta energy: -126.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1367.418315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.418315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.418315 (E_RNA)
where:
Base-Base interactions energy: -916.150
where: short stacking energy: -403.728
Base-Backbone interact. energy: -4.888
local terms energy: -446.379589
where:
bonds (distance) C4'-P energy: -92.476
bonds (distance) P-C4' energy: -108.086
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -59.592
tors. eta vs tors. theta energy: -85.953
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1318.971969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.971969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.971969 (E_RNA)
where:
Base-Base interactions energy: -875.328
where: short stacking energy: -367.051
Base-Backbone interact. energy: -0.794
local terms energy: -442.849775
where:
bonds (distance) C4'-P energy: -89.714
bonds (distance) P-C4' energy: -96.306
flat angles C4'-P-C4' energy: -103.970
flat angles P-C4'-P energy: -72.314
tors. eta vs tors. theta energy: -80.547
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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -857.132860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.132860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.132860 (E_RNA)
where:
Base-Base interactions energy: -497.325
where: short stacking energy: -229.717
Base-Backbone interact. energy: 1.861
local terms energy: -361.667945
where:
bonds (distance) C4'-P energy: -83.377
bonds (distance) P-C4' energy: -109.097
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -783.784966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.784966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.784966 (E_RNA)
where:
Base-Base interactions energy: -452.942
where: short stacking energy: -227.720
Base-Backbone interact. energy: 0.750
local terms energy: -331.592474
where:
bonds (distance) C4'-P energy: -102.129
bonds (distance) P-C4' energy: -75.764
flat angles C4'-P-C4' energy: -67.068
flat angles P-C4'-P energy: -53.364
tors. eta vs tors. theta energy: -33.267
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: 37
Temperature: 0.900000
Total energy: -2118.424836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.424836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.424836 (E_RNA)
where:
Base-Base interactions energy: -1488.560
where: short stacking energy: -594.039
Base-Backbone interact. energy: -0.370
local terms energy: -629.495081
where:
bonds (distance) C4'-P energy: -128.628
bonds (distance) P-C4' energy: -116.246
flat angles C4'-P-C4' energy: -137.740
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -167.369
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2018.111214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.111214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.111214 (E_RNA)
where:
Base-Base interactions energy: -1406.701
where: short stacking energy: -572.536
Base-Backbone interact. energy: 1.119
local terms energy: -612.529494
where:
bonds (distance) C4'-P energy: -113.706
bonds (distance) P-C4' energy: -120.654
flat angles C4'-P-C4' energy: -127.314
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -170.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1942.270462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.270462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.270462 (E_RNA)
where:
Base-Base interactions energy: -1339.438
where: short stacking energy: -540.099
Base-Backbone interact. energy: -4.361
local terms energy: -598.471705
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -126.013
flat angles C4'-P-C4' energy: -123.528
flat angles P-C4'-P energy: -79.397
tors. eta vs tors. theta energy: -160.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1888.309285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.309285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.309285 (E_RNA)
where:
Base-Base interactions energy: -1327.058
where: short stacking energy: -543.632
Base-Backbone interact. energy: 0.279
local terms energy: -561.530503
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -110.775
flat angles C4'-P-C4' energy: -120.934
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -156.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1706.522124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.522124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.522124 (E_RNA)
where:
Base-Base interactions energy: -1173.953
where: short stacking energy: -472.783
Base-Backbone interact. energy: -5.856
local terms energy: -526.713278
where:
bonds (distance) C4'-P energy: -105.752
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -129.252
flat angles P-C4'-P energy: -67.471
tors. eta vs tors. theta energy: -121.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1628.518718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.518718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.518718 (E_RNA)
where:
Base-Base interactions energy: -1159.786
where: short stacking energy: -448.501
Base-Backbone interact. energy: 0.297
local terms energy: -469.029204
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -101.317
flat angles C4'-P-C4' energy: -104.001
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -112.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1420.603352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.603352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.603352 (E_RNA)
where:
Base-Base interactions energy: -946.002
where: short stacking energy: -387.083
Base-Backbone interact. energy: 0.744
local terms energy: -475.344863
where:
bonds (distance) C4'-P energy: -107.485
bonds (distance) P-C4' energy: -109.286
flat angles C4'-P-C4' energy: -88.309
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -100.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1260.034335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.034335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.034335 (E_RNA)
where:
Base-Base interactions energy: -839.040
where: short stacking energy: -360.490
Base-Backbone interact. energy: -1.021
local terms energy: -419.973338
where:
bonds (distance) C4'-P energy: -84.620
bonds (distance) P-C4' energy: -89.420
flat angles C4'-P-C4' energy: -95.478
flat angles P-C4'-P energy: -67.414
tors. eta vs tors. theta energy: -83.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -849.036588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.036588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.036588 (E_RNA)
where:
Base-Base interactions energy: -468.037
where: short stacking energy: -236.519
Base-Backbone interact. energy: 6.275
local terms energy: -387.273950
where:
bonds (distance) C4'-P energy: -92.426
bonds (distance) P-C4' energy: -106.685
flat angles C4'-P-C4' energy: -92.377
flat angles P-C4'-P energy: -64.257
tors. eta vs tors. theta energy: -31.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -763.216840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.216840 (E_RNA)
where:
Base-Base interactions energy: -418.048
where: short stacking energy: -211.268
Base-Backbone interact. energy: -3.028
local terms energy: -342.141329
where:
bonds (distance) C4'-P energy: -95.719
bonds (distance) P-C4' energy: -100.842
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -22.021
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: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2132.137744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.137744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.137744 (E_RNA)
where:
Base-Base interactions energy: -1490.137
where: short stacking energy: -593.460
Base-Backbone interact. energy: -5.851
local terms energy: -636.150082
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -117.245
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -87.933
tors. eta vs tors. theta energy: -171.334
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1982.226402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.226402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.226402 (E_RNA)
where:
Base-Base interactions energy: -1402.297
where: short stacking energy: -566.561
Base-Backbone interact. energy: 3.943
local terms energy: -583.872761
where:
bonds (distance) C4'-P energy: -108.430
bonds (distance) P-C4' energy: -110.618
flat angles C4'-P-C4' energy: -114.178
flat angles P-C4'-P energy: -87.671
tors. eta vs tors. theta energy: -162.976
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1951.234157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.234157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.234157 (E_RNA)
where:
Base-Base interactions energy: -1362.228
where: short stacking energy: -554.780
Base-Backbone interact. energy: -1.715
local terms energy: -587.291037
where:
bonds (distance) C4'-P energy: -96.151
bonds (distance) P-C4' energy: -120.500
flat angles C4'-P-C4' energy: -127.538
flat angles P-C4'-P energy: -91.356
tors. eta vs tors. theta energy: -151.747
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1885.863648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.863648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.863648 (E_RNA)
where:
Base-Base interactions energy: -1356.531
where: short stacking energy: -526.245
Base-Backbone interact. energy: 1.480
local terms energy: -530.812948
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -111.616
flat angles C4'-P-C4' energy: -120.432
flat angles P-C4'-P energy: -53.233
tors. eta vs tors. theta energy: -151.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1734.651057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.651057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.651057 (E_RNA)
where:
Base-Base interactions energy: -1189.715
where: short stacking energy: -499.681
Base-Backbone interact. energy: -1.050
local terms energy: -543.886046
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -94.436
flat angles C4'-P-C4' energy: -125.396
flat angles P-C4'-P energy: -75.110
tors. eta vs tors. theta energy: -149.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1587.798338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.798338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.798338 (E_RNA)
where:
Base-Base interactions energy: -1072.226
where: short stacking energy: -437.358
Base-Backbone interact. energy: -0.642
local terms energy: -514.930544
where:
bonds (distance) C4'-P energy: -94.452
bonds (distance) P-C4' energy: -110.980
flat angles C4'-P-C4' energy: -112.929
flat angles P-C4'-P energy: -76.224
tors. eta vs tors. theta energy: -120.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1410.379089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.379089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.379089 (E_RNA)
where:
Base-Base interactions energy: -947.176
where: short stacking energy: -419.721
Base-Backbone interact. energy: 3.346
local terms energy: -466.548658
where:
bonds (distance) C4'-P energy: -78.499
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -114.503
flat angles P-C4'-P energy: -63.879
tors. eta vs tors. theta energy: -107.765
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: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1229.566260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.566260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.566260 (E_RNA)
where:
Base-Base interactions energy: -820.971
where: short stacking energy: -351.950
Base-Backbone interact. energy: 2.731
local terms energy: -411.325837
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -94.888
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -62.895
tors. eta vs tors. theta energy: -83.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -877.678428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.678428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.678428 (E_RNA)
where:
Base-Base interactions energy: -490.081
where: short stacking energy: -237.581
Base-Backbone interact. energy: -2.646
local terms energy: -384.952006
where:
bonds (distance) C4'-P energy: -86.259
bonds (distance) P-C4' energy: -111.210
flat angles C4'-P-C4' energy: -106.140
flat angles P-C4'-P energy: -56.380
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -742.063124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.063124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.063124 (E_RNA)
where:
Base-Base interactions energy: -418.429
where: short stacking energy: -222.246
Base-Backbone interact. energy: 5.561
local terms energy: -329.195224
where:
bonds (distance) C4'-P energy: -95.677
bonds (distance) P-C4' energy: -81.323
flat angles C4'-P-C4' energy: -84.942
flat angles P-C4'-P energy: -52.524
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2100.669803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.669803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.669803 (E_RNA)
where:
Base-Base interactions energy: -1475.260
where: short stacking energy: -588.779
Base-Backbone interact. energy: 0.146
local terms energy: -625.555586
where:
bonds (distance) C4'-P energy: -121.060
bonds (distance) P-C4' energy: -118.216
flat angles C4'-P-C4' energy: -123.261
flat angles P-C4'-P energy: -90.445
tors. eta vs tors. theta energy: -172.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1969.175575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.175575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.175575 (E_RNA)
where:
Base-Base interactions energy: -1357.852
where: short stacking energy: -557.692
Base-Backbone interact. energy: -2.113
local terms energy: -609.210900
where:
bonds (distance) C4'-P energy: -121.432
bonds (distance) P-C4' energy: -115.774
flat angles C4'-P-C4' energy: -118.710
flat angles P-C4'-P energy: -87.138
tors. eta vs tors. theta energy: -166.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1971.051981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.051981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.051981 (E_RNA)
where:
Base-Base interactions energy: -1385.249
where: short stacking energy: -540.930
Base-Backbone interact. energy: -5.470
local terms energy: -580.333276
where:
bonds (distance) C4'-P energy: -99.667
bonds (distance) P-C4' energy: -114.957
flat angles C4'-P-C4' energy: -127.970
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -154.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1853.075799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.075799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.075799 (E_RNA)
where:
Base-Base interactions energy: -1283.178
where: short stacking energy: -493.161
Base-Backbone interact. energy: -1.101
local terms energy: -568.796595
where:
bonds (distance) C4'-P energy: -107.708
bonds (distance) P-C4' energy: -106.274
flat angles C4'-P-C4' energy: -126.966
flat angles P-C4'-P energy: -86.872
tors. eta vs tors. theta energy: -140.977
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: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1680.679402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.679402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.679402 (E_RNA)
where:
Base-Base interactions energy: -1153.068
where: short stacking energy: -473.369
Base-Backbone interact. energy: -3.012
local terms energy: -524.598945
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -109.520
flat angles C4'-P-C4' energy: -131.680
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -123.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1627.781221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.781221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.781221 (E_RNA)
where:
Base-Base interactions energy: -1120.786
where: short stacking energy: -452.954
Base-Backbone interact. energy: 0.189
local terms energy: -507.184617
where:
bonds (distance) C4'-P energy: -92.318
bonds (distance) P-C4' energy: -107.292
flat angles C4'-P-C4' energy: -109.520
flat angles P-C4'-P energy: -66.583
tors. eta vs tors. theta energy: -131.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1390.950269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.950269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.950269 (E_RNA)
where:
Base-Base interactions energy: -870.935
where: short stacking energy: -386.224
Base-Backbone interact. energy: 1.107
local terms energy: -521.122125
where:
bonds (distance) C4'-P energy: -112.347
bonds (distance) P-C4' energy: -114.343
flat angles C4'-P-C4' energy: -117.475
flat angles P-C4'-P energy: -81.120
tors. eta vs tors. theta energy: -95.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1201.671265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.671265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.671265 (E_RNA)
where:
Base-Base interactions energy: -794.412
where: short stacking energy: -338.865
Base-Backbone interact. energy: 1.125
local terms energy: -408.383739
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -81.428
flat angles C4'-P-C4' energy: -107.618
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -63.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -876.831048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.831048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.831048 (E_RNA)
where:
Base-Base interactions energy: -508.393
where: short stacking energy: -222.143
Base-Backbone interact. energy: -2.090
local terms energy: -366.347256
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -94.885
flat angles P-C4'-P energy: -52.197
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -728.363075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.363075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.363075 (E_RNA)
where:
Base-Base interactions energy: -395.586
where: short stacking energy: -213.599
Base-Backbone interact. energy: -2.005
local terms energy: -330.772049
where:
bonds (distance) C4'-P energy: -72.958
bonds (distance) P-C4' energy: -111.422
flat angles C4'-P-C4' energy: -91.135
flat angles P-C4'-P energy: -48.095
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2111.138398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.138398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.138398 (E_RNA)
where:
Base-Base interactions energy: -1496.401
where: short stacking energy: -599.716
Base-Backbone interact. energy: -7.277
local terms energy: -607.460724
where:
bonds (distance) C4'-P energy: -111.067
bonds (distance) P-C4' energy: -110.659
flat angles C4'-P-C4' energy: -130.347
flat angles P-C4'-P energy: -84.702
tors. eta vs tors. theta energy: -170.687
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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1989.253468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.253468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.253468 (E_RNA)
where:
Base-Base interactions energy: -1382.898
where: short stacking energy: -586.505
Base-Backbone interact. energy: -3.395
local terms energy: -602.960061
where:
bonds (distance) C4'-P energy: -112.085
bonds (distance) P-C4' energy: -111.032
flat angles C4'-P-C4' energy: -131.875
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -165.524
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: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1911.085300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.085300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.085300 (E_RNA)
where:
Base-Base interactions energy: -1335.400
where: short stacking energy: -545.566
Base-Backbone interact. energy: -2.192
local terms energy: -573.492853
where:
bonds (distance) C4'-P energy: -99.416
bonds (distance) P-C4' energy: -106.435
flat angles C4'-P-C4' energy: -137.936
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -158.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1825.966893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.966893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.966893 (E_RNA)
where:
Base-Base interactions energy: -1270.849
where: short stacking energy: -518.938
Base-Backbone interact. energy: 1.369
local terms energy: -556.487416
where:
bonds (distance) C4'-P energy: -86.188
bonds (distance) P-C4' energy: -110.632
flat angles C4'-P-C4' energy: -115.131
flat angles P-C4'-P energy: -95.422
tors. eta vs tors. theta energy: -149.115
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: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1701.102045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.102045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.102045 (E_RNA)
where:
Base-Base interactions energy: -1160.486
where: short stacking energy: -471.076
Base-Backbone interact. energy: -2.524
local terms energy: -538.092388
where:
bonds (distance) C4'-P energy: -109.724
bonds (distance) P-C4' energy: -117.813
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -66.260
tors. eta vs tors. theta energy: -120.620
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: 40
Temperature: 1.150000
Total energy: -1679.590739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.590739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.590739 (E_RNA)
where:
Base-Base interactions energy: -1161.966
where: short stacking energy: -465.731
Base-Backbone interact. energy: -0.861
local terms energy: -516.764122
where:
bonds (distance) C4'-P energy: -99.580
bonds (distance) P-C4' energy: -98.974
flat angles C4'-P-C4' energy: -102.884
flat angles P-C4'-P energy: -86.650
tors. eta vs tors. theta energy: -128.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1402.466151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.466151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.466151 (E_RNA)
where:
Base-Base interactions energy: -930.444
where: short stacking energy: -392.898
Base-Backbone interact. energy: 0.970
local terms energy: -472.992033
where:
bonds (distance) C4'-P energy: -99.865
bonds (distance) P-C4' energy: -85.091
flat angles C4'-P-C4' energy: -113.697
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -111.966
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: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1202.386863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.386863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.386863 (E_RNA)
where:
Base-Base interactions energy: -773.324
where: short stacking energy: -342.507
Base-Backbone interact. energy: 2.454
local terms energy: -431.516563
where:
bonds (distance) C4'-P energy: -94.651
bonds (distance) P-C4' energy: -102.413
flat angles C4'-P-C4' energy: -98.056
flat angles P-C4'-P energy: -65.019
tors. eta vs tors. theta energy: -71.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -872.863126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.863126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.863126 (E_RNA)
where:
Base-Base interactions energy: -491.181
where: short stacking energy: -244.160
Base-Backbone interact. energy: -1.490
local terms energy: -380.192312
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -119.509
flat angles C4'-P-C4' energy: -103.141
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -28.077
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: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -805.762902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.762902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.762902 (E_RNA)
where:
Base-Base interactions energy: -454.815
where: short stacking energy: -227.031
Base-Backbone interact. energy: -1.477
local terms energy: -349.470502
where:
bonds (distance) C4'-P energy: -95.451
bonds (distance) P-C4' energy: -96.286
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -55.206
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2126.533107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.533107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.533107 (E_RNA)
where:
Base-Base interactions energy: -1497.650
where: short stacking energy: -596.104
Base-Backbone interact. energy: -1.247
local terms energy: -627.635730
where:
bonds (distance) C4'-P energy: -113.009
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -126.158
flat angles P-C4'-P energy: -88.263
tors. eta vs tors. theta energy: -173.852
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: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2020.019761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.019761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.019761 (E_RNA)
where:
Base-Base interactions energy: -1424.424
where: short stacking energy: -573.289
Base-Backbone interact. energy: -2.823
local terms energy: -592.772950
where:
bonds (distance) C4'-P energy: -108.603
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -126.287
flat angles P-C4'-P energy: -79.612
tors. eta vs tors. theta energy: -176.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1964.512487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.512487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.512487 (E_RNA)
where:
Base-Base interactions energy: -1353.441
where: short stacking energy: -552.176
Base-Backbone interact. energy: 0.161
local terms energy: -611.232295
where:
bonds (distance) C4'-P energy: -103.435
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -138.747
flat angles P-C4'-P energy: -85.966
tors. eta vs tors. theta energy: -166.135
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: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1820.686031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.686031 (E_RNA)
where:
Base-Base interactions energy: -1251.701
where: short stacking energy: -512.310
Base-Backbone interact. energy: 1.320
local terms energy: -570.304102
where:
bonds (distance) C4'-P energy: -102.782
bonds (distance) P-C4' energy: -110.854
flat angles C4'-P-C4' energy: -129.275
flat angles P-C4'-P energy: -76.923
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: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1690.465541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.465541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.465541 (E_RNA)
where:
Base-Base interactions energy: -1168.640
where: short stacking energy: -480.731
Base-Backbone interact. energy: 4.235
local terms energy: -526.060952
where:
bonds (distance) C4'-P energy: -106.300
bonds (distance) P-C4' energy: -105.040
flat angles C4'-P-C4' energy: -106.436
flat angles P-C4'-P energy: -81.724
tors. eta vs tors. theta energy: -126.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1656.832380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.832380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.832380 (E_RNA)
where:
Base-Base interactions energy: -1141.245
where: short stacking energy: -467.903
Base-Backbone interact. energy: -3.702
local terms energy: -511.885147
where:
bonds (distance) C4'-P energy: -96.133
bonds (distance) P-C4' energy: -99.425
flat angles C4'-P-C4' energy: -113.167
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -127.116
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: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1307.172821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.172821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.172821 (E_RNA)
where:
Base-Base interactions energy: -863.148
where: short stacking energy: -386.327
Base-Backbone interact. energy: 5.462
local terms energy: -449.486820
where:
bonds (distance) C4'-P energy: -97.110
bonds (distance) P-C4' energy: -96.620
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -64.671
tors. eta vs tors. theta energy: -84.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1175.302535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.302535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.302535 (E_RNA)
where:
Base-Base interactions energy: -750.299
where: short stacking energy: -321.730
Base-Backbone interact. energy: -3.335
local terms energy: -421.667770
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -99.669
flat angles C4'-P-C4' energy: -98.965
flat angles P-C4'-P energy: -45.543
tors. eta vs tors. theta energy: -59.275
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -905.031500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.031500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.031500 (E_RNA)
where:
Base-Base interactions energy: -523.916
where: short stacking energy: -250.002
Base-Backbone interact. energy: -0.499
local terms energy: -380.616514
where:
bonds (distance) C4'-P energy: -105.593
bonds (distance) P-C4' energy: -101.325
flat angles C4'-P-C4' energy: -96.465
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -742.696602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.696602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.696602 (E_RNA)
where:
Base-Base interactions energy: -423.506
where: short stacking energy: -191.047
Base-Backbone interact. energy: -3.704
local terms energy: -315.486888
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -107.334
flat angles C4'-P-C4' energy: -83.172
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2108.308816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.308816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.308816 (E_RNA)
where:
Base-Base interactions energy: -1495.936
where: short stacking energy: -585.906
Base-Backbone interact. energy: -5.375
local terms energy: -606.997719
where:
bonds (distance) C4'-P energy: -128.994
bonds (distance) P-C4' energy: -112.846
flat angles C4'-P-C4' energy: -121.722
flat angles P-C4'-P energy: -84.878
tors. eta vs tors. theta energy: -158.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2050.860753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.860753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.860753 (E_RNA)
where:
Base-Base interactions energy: -1418.885
where: short stacking energy: -562.154
Base-Backbone interact. energy: -2.908
local terms energy: -629.068067
where:
bonds (distance) C4'-P energy: -112.990
bonds (distance) P-C4' energy: -112.037
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -102.041
tors. eta vs tors. theta energy: -172.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1960.579279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.579279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.579279 (E_RNA)
where:
Base-Base interactions energy: -1357.648
where: short stacking energy: -535.674
Base-Backbone interact. energy: -3.672
local terms energy: -599.258923
where:
bonds (distance) C4'-P energy: -111.052
bonds (distance) P-C4' energy: -112.169
flat angles C4'-P-C4' energy: -122.058
flat angles P-C4'-P energy: -90.216
tors. eta vs tors. theta energy: -163.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1855.160843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.160843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.160843 (E_RNA)
where:
Base-Base interactions energy: -1292.671
where: short stacking energy: -554.458
Base-Backbone interact. energy: -1.373
local terms energy: -561.116554
where:
bonds (distance) C4'-P energy: -103.083
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -129.516
flat angles P-C4'-P energy: -68.281
tors. eta vs tors. theta energy: -149.609
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: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1680.392691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.392691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.392691 (E_RNA)
where:
Base-Base interactions energy: -1172.671
where: short stacking energy: -448.562
Base-Backbone interact. energy: -3.444
local terms energy: -504.277693
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -93.247
flat angles C4'-P-C4' energy: -119.740
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -128.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1631.959639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.959639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.959639 (E_RNA)
where:
Base-Base interactions energy: -1092.972
where: short stacking energy: -444.819
Base-Backbone interact. energy: -5.366
local terms energy: -533.621670
where:
bonds (distance) C4'-P energy: -105.929
bonds (distance) P-C4' energy: -112.055
flat angles C4'-P-C4' energy: -108.741
flat angles P-C4'-P energy: -79.856
tors. eta vs tors. theta energy: -127.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1345.807603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.807603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.807603 (E_RNA)
where:
Base-Base interactions energy: -904.882
where: short stacking energy: -410.385
Base-Backbone interact. energy: -0.552
local terms energy: -440.373464
where:
bonds (distance) C4'-P energy: -96.901
bonds (distance) P-C4' energy: -85.636
flat angles C4'-P-C4' energy: -101.601
flat angles P-C4'-P energy: -60.887
tors. eta vs tors. theta energy: -95.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1209.845617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.845617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.845617 (E_RNA)
where:
Base-Base interactions energy: -790.324
where: short stacking energy: -353.266
Base-Backbone interact. energy: -2.674
local terms energy: -416.847836
where:
bonds (distance) C4'-P energy: -76.024
bonds (distance) P-C4' energy: -91.358
flat angles C4'-P-C4' energy: -105.160
flat angles P-C4'-P energy: -63.053
tors. eta vs tors. theta energy: -81.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -882.921644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.921644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.921644 (E_RNA)
where:
Base-Base interactions energy: -506.425
where: short stacking energy: -249.620
Base-Backbone interact. energy: -2.993
local terms energy: -373.503943
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -93.380
flat angles C4'-P-C4' energy: -95.829
flat angles P-C4'-P energy: -56.332
tors. eta vs tors. theta energy: -35.367
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -704.145650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.145650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.145650 (E_RNA)
where:
Base-Base interactions energy: -396.213
where: short stacking energy: -215.459
Base-Backbone interact. energy: 4.973
local terms energy: -312.905178
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -58.915
flat angles C4'-P-C4' energy: -99.198
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2106.998156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.998156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.998156 (E_RNA)
where:
Base-Base interactions energy: -1487.153
where: short stacking energy: -576.504
Base-Backbone interact. energy: -6.162
local terms energy: -613.682701
where:
bonds (distance) C4'-P energy: -108.887
bonds (distance) P-C4' energy: -118.271
flat angles C4'-P-C4' energy: -139.570
flat angles P-C4'-P energy: -89.168
tors. eta vs tors. theta energy: -157.786
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1992.776523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.776523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.776523 (E_RNA)
where:
Base-Base interactions energy: -1398.725
where: short stacking energy: -566.582
Base-Backbone interact. energy: -8.226
local terms energy: -585.825308
where:
bonds (distance) C4'-P energy: -103.282
bonds (distance) P-C4' energy: -98.176
flat angles C4'-P-C4' energy: -130.073
flat angles P-C4'-P energy: -78.911
tors. eta vs tors. theta energy: -175.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1966.388298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.388298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.388298 (E_RNA)
where:
Base-Base interactions energy: -1354.561
where: short stacking energy: -548.604
Base-Backbone interact. energy: -5.128
local terms energy: -606.699128
where:
bonds (distance) C4'-P energy: -108.407
bonds (distance) P-C4' energy: -120.734
flat angles C4'-P-C4' energy: -125.369
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -172.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1868.479937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.479937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.479937 (E_RNA)
where:
Base-Base interactions energy: -1330.256
where: short stacking energy: -537.411
Base-Backbone interact. energy: -3.838
local terms energy: -534.386657
where:
bonds (distance) C4'-P energy: -91.620
bonds (distance) P-C4' energy: -103.081
flat angles C4'-P-C4' energy: -123.965
flat angles P-C4'-P energy: -78.980
tors. eta vs tors. theta energy: -136.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1696.593578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.593578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.593578 (E_RNA)
where:
Base-Base interactions energy: -1175.923
where: short stacking energy: -472.026
Base-Backbone interact. energy: -1.999
local terms energy: -518.671618
where:
bonds (distance) C4'-P energy: -110.117
bonds (distance) P-C4' energy: -98.545
flat angles C4'-P-C4' energy: -109.239
flat angles P-C4'-P energy: -79.938
tors. eta vs tors. theta energy: -120.833
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1636.609728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.609728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.609728 (E_RNA)
where:
Base-Base interactions energy: -1140.902
where: short stacking energy: -455.800
Base-Backbone interact. energy: 2.039
local terms energy: -497.746580
where:
bonds (distance) C4'-P energy: -97.840
bonds (distance) P-C4' energy: -108.387
flat angles C4'-P-C4' energy: -96.949
flat angles P-C4'-P energy: -68.697
tors. eta vs tors. theta energy: -125.873
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1353.438726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.438726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.438726 (E_RNA)
where:
Base-Base interactions energy: -900.383
where: short stacking energy: -388.923
Base-Backbone interact. energy: -1.496
local terms energy: -451.559752
where:
bonds (distance) C4'-P energy: -91.976
bonds (distance) P-C4' energy: -101.696
flat angles C4'-P-C4' energy: -112.072
flat angles P-C4'-P energy: -64.223
tors. eta vs tors. theta energy: -81.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1203.173578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.173578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.173578 (E_RNA)
where:
Base-Base interactions energy: -772.739
where: short stacking energy: -348.914
Base-Backbone interact. energy: 4.444
local terms energy: -434.879186
where:
bonds (distance) C4'-P energy: -97.480
bonds (distance) P-C4' energy: -91.306
flat angles C4'-P-C4' energy: -109.264
flat angles P-C4'-P energy: -70.785
tors. eta vs tors. theta energy: -66.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -876.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.202266 (E_RNA)
where:
Base-Base interactions energy: -511.531
where: short stacking energy: -255.218
Base-Backbone interact. energy: 0.903
local terms energy: -365.573985
where:
bonds (distance) C4'-P energy: -103.361
bonds (distance) P-C4' energy: -96.697
flat angles C4'-P-C4' energy: -83.692
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -723.091958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.091958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.091958 (E_RNA)
where:
Base-Base interactions energy: -389.254
where: short stacking energy: -208.354
Base-Backbone interact. energy: 1.384
local terms energy: -335.221861
where:
bonds (distance) C4'-P energy: -91.026
bonds (distance) P-C4' energy: -80.166
flat angles C4'-P-C4' energy: -102.706
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2086.773433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.773433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.773433 (E_RNA)
where:
Base-Base interactions energy: -1472.052
where: short stacking energy: -596.205
Base-Backbone interact. energy: 1.383
local terms energy: -616.104243
where:
bonds (distance) C4'-P energy: -114.076
bonds (distance) P-C4' energy: -122.970
flat angles C4'-P-C4' energy: -124.011
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -167.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1973.374761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.374761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.374761 (E_RNA)
where:
Base-Base interactions energy: -1392.344
where: short stacking energy: -576.891
Base-Backbone interact. energy: -1.693
local terms energy: -579.336830
where:
bonds (distance) C4'-P energy: -101.208
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -124.498
flat angles P-C4'-P energy: -89.356
tors. eta vs tors. theta energy: -164.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1972.411829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.411829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.411829 (E_RNA)
where:
Base-Base interactions energy: -1362.170
where: short stacking energy: -558.410
Base-Backbone interact. energy: 0.497
local terms energy: -610.738311
where:
bonds (distance) C4'-P energy: -121.391
bonds (distance) P-C4' energy: -119.843
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -86.083
tors. eta vs tors. theta energy: -150.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1844.765151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.765151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.765151 (E_RNA)
where:
Base-Base interactions energy: -1276.921
where: short stacking energy: -515.378
Base-Backbone interact. energy: -2.061
local terms energy: -565.783500
where:
bonds (distance) C4'-P energy: -110.729
bonds (distance) P-C4' energy: -110.237
flat angles C4'-P-C4' energy: -129.532
flat angles P-C4'-P energy: -76.271
tors. eta vs tors. theta energy: -139.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1676.488847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.488847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.488847 (E_RNA)
where:
Base-Base interactions energy: -1146.520
where: short stacking energy: -472.804
Base-Backbone interact. energy: -4.450
local terms energy: -525.519291
where:
bonds (distance) C4'-P energy: -106.873
bonds (distance) P-C4' energy: -115.325
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -62.102
tors. eta vs tors. theta energy: -137.021
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1614.790899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.790899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.790899 (E_RNA)
where:
Base-Base interactions energy: -1114.755
where: short stacking energy: -450.890
Base-Backbone interact. energy: -4.386
local terms energy: -495.649696
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -105.467
flat angles P-C4'-P energy: -69.433
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1355.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.765076 (E_RNA)
where:
Base-Base interactions energy: -878.912
where: short stacking energy: -387.540
Base-Backbone interact. energy: -2.389
local terms energy: -474.463967
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -104.538
flat angles C4'-P-C4' energy: -98.686
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -97.683
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: 44
Temperature: 1.250000
Total energy: -1197.163743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.163743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.163743 (E_RNA)
where:
Base-Base interactions energy: -791.317
where: short stacking energy: -354.820
Base-Backbone interact. energy: 1.534
local terms energy: -407.380280
where:
bonds (distance) C4'-P energy: -88.671
bonds (distance) P-C4' energy: -105.031
flat angles C4'-P-C4' energy: -90.788
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -70.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -845.385063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.385063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.385063 (E_RNA)
where:
Base-Base interactions energy: -477.960
where: short stacking energy: -224.603
Base-Backbone interact. energy: -0.814
local terms energy: -366.611355
where:
bonds (distance) C4'-P energy: -94.876
bonds (distance) P-C4' energy: -117.659
flat angles C4'-P-C4' energy: -83.951
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: -24.535
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: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -767.053455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.053455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.053455 (E_RNA)
where:
Base-Base interactions energy: -410.675
where: short stacking energy: -210.093
Base-Backbone interact. energy: 1.321
local terms energy: -357.699435
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -99.459
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2120.963586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.963586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.963586 (E_RNA)
where:
Base-Base interactions energy: -1509.941
where: short stacking energy: -605.977
Base-Backbone interact. energy: -3.747
local terms energy: -607.275374
where:
bonds (distance) C4'-P energy: -110.622
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -131.513
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -172.814
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: 45
Temperature: 0.950000
Total energy: -1988.521836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.521836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.521836 (E_RNA)
where:
Base-Base interactions energy: -1366.194
where: short stacking energy: -565.407
Base-Backbone interact. energy: -3.015
local terms energy: -619.312430
where:
bonds (distance) C4'-P energy: -120.399
bonds (distance) P-C4' energy: -115.295
flat angles C4'-P-C4' energy: -136.211
flat angles P-C4'-P energy: -85.610
tors. eta vs tors. theta energy: -161.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1939.474237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.474237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.474237 (E_RNA)
where:
Base-Base interactions energy: -1372.219
where: short stacking energy: -578.636
Base-Backbone interact. energy: 0.561
local terms energy: -567.815559
where:
bonds (distance) C4'-P energy: -105.108
bonds (distance) P-C4' energy: -102.802
flat angles C4'-P-C4' energy: -120.693
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -164.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1836.262169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.262169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.262169 (E_RNA)
where:
Base-Base interactions energy: -1287.120
where: short stacking energy: -505.391
Base-Backbone interact. energy: 7.094
local terms energy: -556.236608
where:
bonds (distance) C4'-P energy: -111.908
bonds (distance) P-C4' energy: -110.060
flat angles C4'-P-C4' energy: -114.746
flat angles P-C4'-P energy: -74.308
tors. eta vs tors. theta energy: -145.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1708.443146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.443146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.443146 (E_RNA)
where:
Base-Base interactions energy: -1176.755
where: short stacking energy: -452.301
Base-Backbone interact. energy: 4.685
local terms energy: -536.372953
where:
bonds (distance) C4'-P energy: -104.751
bonds (distance) P-C4' energy: -103.274
flat angles C4'-P-C4' energy: -126.248
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -114.671
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1592.805008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.805008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.805008 (E_RNA)
where:
Base-Base interactions energy: -1062.468
where: short stacking energy: -447.079
Base-Backbone interact. energy: -3.014
local terms energy: -527.323598
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -106.544
flat angles C4'-P-C4' energy: -122.490
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -116.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1336.123211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.123211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.123211 (E_RNA)
where:
Base-Base interactions energy: -883.003
where: short stacking energy: -394.524
Base-Backbone interact. energy: 1.125
local terms energy: -454.244804
where:
bonds (distance) C4'-P energy: -100.910
bonds (distance) P-C4' energy: -88.596
flat angles C4'-P-C4' energy: -101.778
flat angles P-C4'-P energy: -72.506
tors. eta vs tors. theta energy: -90.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1181.293695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.293695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.293695 (E_RNA)
where:
Base-Base interactions energy: -747.973
where: short stacking energy: -351.186
Base-Backbone interact. energy: -0.469
local terms energy: -432.852025
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -114.224
flat angles P-C4'-P energy: -62.074
tors. eta vs tors. theta energy: -60.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -834.371743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.371743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.371743 (E_RNA)
where:
Base-Base interactions energy: -462.933
where: short stacking energy: -244.202
Base-Backbone interact. energy: -0.218
local terms energy: -371.220889
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -102.100
flat angles C4'-P-C4' energy: -84.469
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -777.614388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.614388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.614388 (E_RNA)
where:
Base-Base interactions energy: -422.160
where: short stacking energy: -205.989
Base-Backbone interact. energy: -1.458
local terms energy: -353.996021
where:
bonds (distance) C4'-P energy: -102.073
bonds (distance) P-C4' energy: -101.394
flat angles C4'-P-C4' energy: -76.898
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -17.703
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: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2110.020471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.020471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.020471 (E_RNA)
where:
Base-Base interactions energy: -1493.823
where: short stacking energy: -609.992
Base-Backbone interact. energy: -5.103
local terms energy: -611.094460
where:
bonds (distance) C4'-P energy: -111.628
bonds (distance) P-C4' energy: -117.408
flat angles C4'-P-C4' energy: -133.631
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -168.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1998.531861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.531861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.531861 (E_RNA)
where:
Base-Base interactions energy: -1381.313
where: short stacking energy: -559.777
Base-Backbone interact. energy: -0.182
local terms energy: -617.037247
where:
bonds (distance) C4'-P energy: -123.133
bonds (distance) P-C4' energy: -111.410
flat angles C4'-P-C4' energy: -121.791
flat angles P-C4'-P energy: -96.146
tors. eta vs tors. theta energy: -164.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1967.137543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.137543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.137543 (E_RNA)
where:
Base-Base interactions energy: -1382.936
where: short stacking energy: -559.001
Base-Backbone interact. energy: -4.801
local terms energy: -579.400843
where:
bonds (distance) C4'-P energy: -110.367
bonds (distance) P-C4' energy: -100.535
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -80.242
tors. eta vs tors. theta energy: -167.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1880.182468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.182468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.182468 (E_RNA)
where:
Base-Base interactions energy: -1296.979
where: short stacking energy: -549.442
Base-Backbone interact. energy: -3.038
local terms energy: -580.166132
where:
bonds (distance) C4'-P energy: -104.538
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -119.160
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -151.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1653.438935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.438935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.438935 (E_RNA)
where:
Base-Base interactions energy: -1129.755
where: short stacking energy: -452.631
Base-Backbone interact. energy: -3.789
local terms energy: -519.894834
where:
bonds (distance) C4'-P energy: -88.642
bonds (distance) P-C4' energy: -103.842
flat angles C4'-P-C4' energy: -113.714
flat angles P-C4'-P energy: -88.934
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: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1585.388242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.388242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.388242 (E_RNA)
where:
Base-Base interactions energy: -1080.963
where: short stacking energy: -420.371
Base-Backbone interact. energy: 4.926
local terms energy: -509.351132
where:
bonds (distance) C4'-P energy: -91.389
bonds (distance) P-C4' energy: -118.320
flat angles C4'-P-C4' energy: -109.914
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -114.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1340.909673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.909673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.909673 (E_RNA)
where:
Base-Base interactions energy: -867.813
where: short stacking energy: -404.852
Base-Backbone interact. energy: -3.167
local terms energy: -469.929774
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -118.160
flat angles C4'-P-C4' energy: -93.731
flat angles P-C4'-P energy: -70.631
tors. eta vs tors. theta energy: -97.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1163.852829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.852829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.852829 (E_RNA)
where:
Base-Base interactions energy: -764.254
where: short stacking energy: -343.837
Base-Backbone interact. energy: 7.170
local terms energy: -406.768337
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -86.244
flat angles C4'-P-C4' energy: -97.059
flat angles P-C4'-P energy: -58.072
tors. eta vs tors. theta energy: -76.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -892.560801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.560801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.560801 (E_RNA)
where:
Base-Base interactions energy: -507.304
where: short stacking energy: -279.659
Base-Backbone interact. energy: 1.212
local terms energy: -386.468339
where:
bonds (distance) C4'-P energy: -95.558
bonds (distance) P-C4' energy: -90.249
flat angles C4'-P-C4' energy: -104.866
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -37.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -798.773121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.773121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.773121 (E_RNA)
where:
Base-Base interactions energy: -447.272
where: short stacking energy: -212.305
Base-Backbone interact. energy: 0.986
local terms energy: -352.487020
where:
bonds (distance) C4'-P energy: -101.815
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -91.715
flat angles P-C4'-P energy: -63.390
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2128.489610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.489610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.489610 (E_RNA)
where:
Base-Base interactions energy: -1501.562
where: short stacking energy: -614.662
Base-Backbone interact. energy: 5.707
local terms energy: -632.634180
where:
bonds (distance) C4'-P energy: -114.587
bonds (distance) P-C4' energy: -122.722
flat angles C4'-P-C4' energy: -126.858
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -172.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1944.980867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.980867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.980867 (E_RNA)
where:
Base-Base interactions energy: -1358.287
where: short stacking energy: -549.439
Base-Backbone interact. energy: -1.537
local terms energy: -585.156902
where:
bonds (distance) C4'-P energy: -103.034
bonds (distance) P-C4' energy: -115.190
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -89.266
tors. eta vs tors. theta energy: -157.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1918.975904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.975904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.975904 (E_RNA)
where:
Base-Base interactions energy: -1362.292
where: short stacking energy: -542.116
Base-Backbone interact. energy: -2.470
local terms energy: -554.213246
where:
bonds (distance) C4'-P energy: -97.689
bonds (distance) P-C4' energy: -107.851
flat angles C4'-P-C4' energy: -125.513
flat angles P-C4'-P energy: -72.188
tors. eta vs tors. theta energy: -150.972
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: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1890.246031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.246031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.246031 (E_RNA)
where:
Base-Base interactions energy: -1304.707
where: short stacking energy: -529.398
Base-Backbone interact. energy: -4.214
local terms energy: -581.324354
where:
bonds (distance) C4'-P energy: -102.464
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -130.374
flat angles P-C4'-P energy: -89.565
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: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1642.475685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.475685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.475685 (E_RNA)
where:
Base-Base interactions energy: -1123.041
where: short stacking energy: -467.666
Base-Backbone interact. energy: 0.080
local terms energy: -519.514186
where:
bonds (distance) C4'-P energy: -90.043
bonds (distance) P-C4' energy: -106.081
flat angles C4'-P-C4' energy: -120.946
flat angles P-C4'-P energy: -80.002
tors. eta vs tors. theta energy: -122.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1685.238391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.238391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.238391 (E_RNA)
where:
Base-Base interactions energy: -1197.858
where: short stacking energy: -497.560
Base-Backbone interact. energy: -2.282
local terms energy: -485.098758
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -97.382
flat angles C4'-P-C4' energy: -105.713
flat angles P-C4'-P energy: -76.526
tors. eta vs tors. theta energy: -132.175
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: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1372.126572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.126572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.126572 (E_RNA)
where:
Base-Base interactions energy: -885.923
where: short stacking energy: -388.081
Base-Backbone interact. energy: 0.043
local terms energy: -486.247000
where:
bonds (distance) C4'-P energy: -100.259
bonds (distance) P-C4' energy: -102.135
flat angles C4'-P-C4' energy: -109.738
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -106.969
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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1155.968805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.968805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.968805 (E_RNA)
where:
Base-Base interactions energy: -765.450
where: short stacking energy: -339.809
Base-Backbone interact. energy: 3.600
local terms energy: -394.119371
where:
bonds (distance) C4'-P energy: -101.414
bonds (distance) P-C4' energy: -89.031
flat angles C4'-P-C4' energy: -102.552
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -58.129
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -820.467692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.467692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.467692 (E_RNA)
where:
Base-Base interactions energy: -429.700
where: short stacking energy: -209.382
Base-Backbone interact. energy: -1.073
local terms energy: -389.694601
where:
bonds (distance) C4'-P energy: -89.904
bonds (distance) P-C4' energy: -114.131
flat angles C4'-P-C4' energy: -109.116
flat angles P-C4'-P energy: -71.759
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -733.934739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.934739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.934739 (E_RNA)
where:
Base-Base interactions energy: -391.234
where: short stacking energy: -209.327
Base-Backbone interact. energy: -3.048
local terms energy: -339.653240
where:
bonds (distance) C4'-P energy: -102.525
bonds (distance) P-C4' energy: -93.345
flat angles C4'-P-C4' energy: -84.372
flat angles P-C4'-P energy: -46.368
tors. eta vs tors. theta energy: -13.043
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2124.132180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.132180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.132180 (E_RNA)
where:
Base-Base interactions energy: -1503.324
where: short stacking energy: -616.759
Base-Backbone interact. energy: -1.485
local terms energy: -619.323174
where:
bonds (distance) C4'-P energy: -98.946
bonds (distance) P-C4' energy: -113.069
flat angles C4'-P-C4' energy: -136.199
flat angles P-C4'-P energy: -92.728
tors. eta vs tors. theta energy: -178.381
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: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1958.475862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.475862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.475862 (E_RNA)
where:
Base-Base interactions energy: -1335.933
where: short stacking energy: -583.214
Base-Backbone interact. energy: -1.847
local terms energy: -620.696376
where:
bonds (distance) C4'-P energy: -117.510
bonds (distance) P-C4' energy: -118.404
flat angles C4'-P-C4' energy: -128.087
flat angles P-C4'-P energy: -88.621
tors. eta vs tors. theta energy: -168.074
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1955.060534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.060534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.060534 (E_RNA)
where:
Base-Base interactions energy: -1334.034
where: short stacking energy: -559.922
Base-Backbone interact. energy: -4.498
local terms energy: -616.528973
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -118.970
flat angles C4'-P-C4' energy: -129.779
flat angles P-C4'-P energy: -88.166
tors. eta vs tors. theta energy: -162.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1889.679492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.679492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.679492 (E_RNA)
where:
Base-Base interactions energy: -1326.036
where: short stacking energy: -538.738
Base-Backbone interact. energy: -2.711
local terms energy: -560.932621
where:
bonds (distance) C4'-P energy: -111.605
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -159.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1674.725537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.725537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.725537 (E_RNA)
where:
Base-Base interactions energy: -1139.645
where: short stacking energy: -474.665
Base-Backbone interact. energy: -0.699
local terms energy: -534.381519
where:
bonds (distance) C4'-P energy: -97.437
bonds (distance) P-C4' energy: -116.612
flat angles C4'-P-C4' energy: -107.510
flat angles P-C4'-P energy: -77.601
tors. eta vs tors. theta energy: -135.222
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: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1577.892306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.892306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.892306 (E_RNA)
where:
Base-Base interactions energy: -1081.309
where: short stacking energy: -438.165
Base-Backbone interact. energy: -4.193
local terms energy: -492.390559
where:
bonds (distance) C4'-P energy: -98.160
bonds (distance) P-C4' energy: -112.217
flat angles C4'-P-C4' energy: -103.689
flat angles P-C4'-P energy: -64.199
tors. eta vs tors. theta energy: -114.126
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1371.939134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.939134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.939134 (E_RNA)
where:
Base-Base interactions energy: -930.611
where: short stacking energy: -421.515
Base-Backbone interact. energy: 9.119
local terms energy: -450.447313
where:
bonds (distance) C4'-P energy: -86.716
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -62.728
tors. eta vs tors. theta energy: -100.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1190.912982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.912982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.912982 (E_RNA)
where:
Base-Base interactions energy: -761.230
where: short stacking energy: -335.077
Base-Backbone interact. energy: -1.558
local terms energy: -428.125060
where:
bonds (distance) C4'-P energy: -90.356
bonds (distance) P-C4' energy: -98.556
flat angles C4'-P-C4' energy: -103.498
flat angles P-C4'-P energy: -69.305
tors. eta vs tors. theta energy: -66.410
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: 48
Temperature: 1.300000
Total energy: -799.388865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.388865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.388865 (E_RNA)
where:
Base-Base interactions energy: -453.484
where: short stacking energy: -213.346
Base-Backbone interact. energy: 0.630
local terms energy: -346.535035
where:
bonds (distance) C4'-P energy: -83.598
bonds (distance) P-C4' energy: -74.341
flat angles C4'-P-C4' energy: -83.732
flat angles P-C4'-P energy: -70.433
tors. eta vs tors. theta energy: -34.431
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: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -772.834574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.834574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.834574 (E_RNA)
where:
Base-Base interactions energy: -419.187
where: short stacking energy: -199.738
Base-Backbone interact. energy: -0.836
local terms energy: -352.811801
where:
bonds (distance) C4'-P energy: -92.083
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -80.065
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -18.128
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2113.564350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.564350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.564350 (E_RNA)
where:
Base-Base interactions energy: -1478.139
where: short stacking energy: -597.466
Base-Backbone interact. energy: -3.856
local terms energy: -631.569375
where:
bonds (distance) C4'-P energy: -112.511
bonds (distance) P-C4' energy: -120.644
flat angles C4'-P-C4' energy: -133.644
flat angles P-C4'-P energy: -97.817
tors. eta vs tors. theta energy: -166.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2028.418821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.418821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.418821 (E_RNA)
where:
Base-Base interactions energy: -1410.459
where: short stacking energy: -568.765
Base-Backbone interact. energy: -1.799
local terms energy: -616.160786
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -111.741
flat angles C4'-P-C4' energy: -134.535
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -170.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1899.850780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.850780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.850780 (E_RNA)
where:
Base-Base interactions energy: -1333.137
where: short stacking energy: -534.310
Base-Backbone interact. energy: -3.101
local terms energy: -563.612445
where:
bonds (distance) C4'-P energy: -99.485
bonds (distance) P-C4' energy: -105.152
flat angles C4'-P-C4' energy: -120.455
flat angles P-C4'-P energy: -81.344
tors. eta vs tors. theta energy: -157.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1908.638867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.638867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.638867 (E_RNA)
where:
Base-Base interactions energy: -1331.728
where: short stacking energy: -536.349
Base-Backbone interact. energy: -5.263
local terms energy: -571.647125
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -114.556
flat angles C4'-P-C4' energy: -111.714
flat angles P-C4'-P energy: -93.386
tors. eta vs tors. theta energy: -154.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1682.417386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.417386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.417386 (E_RNA)
where:
Base-Base interactions energy: -1148.340
where: short stacking energy: -464.549
Base-Backbone interact. energy: -2.363
local terms energy: -531.714201
where:
bonds (distance) C4'-P energy: -104.548
bonds (distance) P-C4' energy: -115.567
flat angles C4'-P-C4' energy: -125.216
flat angles P-C4'-P energy: -68.085
tors. eta vs tors. theta energy: -118.297
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: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1550.306844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.306844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.306844 (E_RNA)
where:
Base-Base interactions energy: -1058.921
where: short stacking energy: -407.021
Base-Backbone interact. energy: 0.307
local terms energy: -491.692762
where:
bonds (distance) C4'-P energy: -91.445
bonds (distance) P-C4' energy: -107.009
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -66.682
tors. eta vs tors. theta energy: -109.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1355.623883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.623883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.623883 (E_RNA)
where:
Base-Base interactions energy: -884.519
where: short stacking energy: -388.789
Base-Backbone interact. energy: -3.915
local terms energy: -467.190321
where:
bonds (distance) C4'-P energy: -94.419
bonds (distance) P-C4' energy: -109.704
flat angles C4'-P-C4' energy: -106.322
flat angles P-C4'-P energy: -71.626
tors. eta vs tors. theta energy: -85.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1148.322169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.322169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.322169 (E_RNA)
where:
Base-Base interactions energy: -737.578
where: short stacking energy: -335.075
Base-Backbone interact. energy: -1.203
local terms energy: -409.541256
where:
bonds (distance) C4'-P energy: -95.145
bonds (distance) P-C4' energy: -97.552
flat angles C4'-P-C4' energy: -92.721
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -61.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -846.527251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.527251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.527251 (E_RNA)
where:
Base-Base interactions energy: -495.483
where: short stacking energy: -227.308
Base-Backbone interact. energy: 1.614
local terms energy: -352.658041
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -97.193
flat angles C4'-P-C4' energy: -98.710
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -707.092419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.092419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.092419 (E_RNA)
where:
Base-Base interactions energy: -393.784
where: short stacking energy: -198.426
Base-Backbone interact. energy: 6.122
local terms energy: -319.430201
where:
bonds (distance) C4'-P energy: -93.062
bonds (distance) P-C4' energy: -93.931
flat angles C4'-P-C4' energy: -82.150
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2109.805882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.805882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.805882 (E_RNA)
where:
Base-Base interactions energy: -1477.650
where: short stacking energy: -597.698
Base-Backbone interact. energy: -3.428
local terms energy: -628.727515
where:
bonds (distance) C4'-P energy: -103.260
bonds (distance) P-C4' energy: -116.942
flat angles C4'-P-C4' energy: -140.202
flat angles P-C4'-P energy: -92.491
tors. eta vs tors. theta energy: -175.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2033.343933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.343933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.343933 (E_RNA)
where:
Base-Base interactions energy: -1436.780
where: short stacking energy: -574.089
Base-Backbone interact. energy: 0.444
local terms energy: -597.008271
where:
bonds (distance) C4'-P energy: -103.943
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -129.264
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -170.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1886.050080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.050080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.050080 (E_RNA)
where:
Base-Base interactions energy: -1300.706
where: short stacking energy: -540.318
Base-Backbone interact. energy: 1.182
local terms energy: -586.526714
where:
bonds (distance) C4'-P energy: -112.179
bonds (distance) P-C4' energy: -112.282
flat angles C4'-P-C4' energy: -122.279
flat angles P-C4'-P energy: -82.526
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: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1868.989982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.989982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.989982 (E_RNA)
where:
Base-Base interactions energy: -1312.816
where: short stacking energy: -528.514
Base-Backbone interact. energy: -4.601
local terms energy: -551.572667
where:
bonds (distance) C4'-P energy: -98.902
bonds (distance) P-C4' energy: -102.719
flat angles C4'-P-C4' energy: -116.998
flat angles P-C4'-P energy: -85.119
tors. eta vs tors. theta energy: -147.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1700.085381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.085381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.085381 (E_RNA)
where:
Base-Base interactions energy: -1179.404
where: short stacking energy: -477.612
Base-Backbone interact. energy: -3.204
local terms energy: -517.476849
where:
bonds (distance) C4'-P energy: -93.439
bonds (distance) P-C4' energy: -94.175
flat angles C4'-P-C4' energy: -123.471
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -125.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1597.633493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.633493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.633493 (E_RNA)
where:
Base-Base interactions energy: -1099.934
where: short stacking energy: -414.569
Base-Backbone interact. energy: 1.039
local terms energy: -498.738572
where:
bonds (distance) C4'-P energy: -111.126
bonds (distance) P-C4' energy: -107.889
flat angles C4'-P-C4' energy: -113.809
flat angles P-C4'-P energy: -57.589
tors. eta vs tors. theta energy: -108.326
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: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1320.109288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.109288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.109288 (E_RNA)
where:
Base-Base interactions energy: -850.700
where: short stacking energy: -363.515
Base-Backbone interact. energy: -2.453
local terms energy: -466.956260
where:
bonds (distance) C4'-P energy: -113.460
bonds (distance) P-C4' energy: -114.589
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -59.583
tors. eta vs tors. theta energy: -75.999
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1137.119754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.119754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.119754 (E_RNA)
where:
Base-Base interactions energy: -741.731
where: short stacking energy: -340.380
Base-Backbone interact. energy: -0.446
local terms energy: -394.943554
where:
bonds (distance) C4'-P energy: -77.972
bonds (distance) P-C4' energy: -111.842
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -56.194
tors. eta vs tors. theta energy: -70.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -868.609181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.609181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.609181 (E_RNA)
where:
Base-Base interactions energy: -501.976
where: short stacking energy: -252.024
Base-Backbone interact. energy: -3.996
local terms energy: -362.637544
where:
bonds (distance) C4'-P energy: -98.638
bonds (distance) P-C4' energy: -102.149
flat angles C4'-P-C4' energy: -74.597
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -709.744752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.744752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.744752 (E_RNA)
where:
Base-Base interactions energy: -366.410
where: short stacking energy: -192.828
Base-Backbone interact. energy: 1.327
local terms energy: -344.661425
where:
bonds (distance) C4'-P energy: -111.307
bonds (distance) P-C4' energy: -91.530
flat angles C4'-P-C4' energy: -80.014
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2106.491814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.491814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.491814 (E_RNA)
where:
Base-Base interactions energy: -1477.295
where: short stacking energy: -608.996
Base-Backbone interact. energy: -7.619
local terms energy: -621.578128
where:
bonds (distance) C4'-P energy: -113.812
bonds (distance) P-C4' energy: -117.707
flat angles C4'-P-C4' energy: -130.477
flat angles P-C4'-P energy: -82.131
tors. eta vs tors. theta energy: -177.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2068.429212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.429212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.429212 (E_RNA)
where:
Base-Base interactions energy: -1463.499
where: short stacking energy: -603.427
Base-Backbone interact. energy: -0.371
local terms energy: -604.559348
where:
bonds (distance) C4'-P energy: -106.704
bonds (distance) P-C4' energy: -109.536
flat angles C4'-P-C4' energy: -131.697
flat angles P-C4'-P energy: -88.586
tors. eta vs tors. theta energy: -168.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1927.285145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.285145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.285145 (E_RNA)
where:
Base-Base interactions energy: -1339.651
where: short stacking energy: -538.819
Base-Backbone interact. energy: 8.322
local terms energy: -595.955836
where:
bonds (distance) C4'-P energy: -98.427
bonds (distance) P-C4' energy: -124.975
flat angles C4'-P-C4' energy: -131.827
flat angles P-C4'-P energy: -79.007
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: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1912.669333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.669333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.669333 (E_RNA)
where:
Base-Base interactions energy: -1324.369
where: short stacking energy: -563.017
Base-Backbone interact. energy: -0.255
local terms energy: -588.045469
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -110.866
flat angles C4'-P-C4' energy: -130.475
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -158.082
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1698.115824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.115824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.115824 (E_RNA)
where:
Base-Base interactions energy: -1211.754
where: short stacking energy: -478.884
Base-Backbone interact. energy: -2.691
local terms energy: -483.670651
where:
bonds (distance) C4'-P energy: -77.337
bonds (distance) P-C4' energy: -109.807
flat angles C4'-P-C4' energy: -104.680
flat angles P-C4'-P energy: -62.700
tors. eta vs tors. theta energy: -129.147
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: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1597.414983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.414983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.414983 (E_RNA)
where:
Base-Base interactions energy: -1065.456
where: short stacking energy: -433.785
Base-Backbone interact. energy: -1.068
local terms energy: -530.890674
where:
bonds (distance) C4'-P energy: -94.115
bonds (distance) P-C4' energy: -107.793
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -86.737
tors. eta vs tors. theta energy: -117.133
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1375.838454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.838454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.838454 (E_RNA)
where:
Base-Base interactions energy: -893.737
where: short stacking energy: -402.103
Base-Backbone interact. energy: -1.265
local terms energy: -480.836885
where:
bonds (distance) C4'-P energy: -89.033
bonds (distance) P-C4' energy: -110.567
flat angles C4'-P-C4' energy: -118.832
flat angles P-C4'-P energy: -64.878
tors. eta vs tors. theta energy: -97.526
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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1186.166342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.166342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.166342 (E_RNA)
where:
Base-Base interactions energy: -757.158
where: short stacking energy: -342.277
Base-Backbone interact. energy: -1.856
local terms energy: -427.152024
where:
bonds (distance) C4'-P energy: -93.388
bonds (distance) P-C4' energy: -106.129
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -60.862
tors. eta vs tors. theta energy: -61.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -853.931104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.931104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.931104 (E_RNA)
where:
Base-Base interactions energy: -487.080
where: short stacking energy: -241.600
Base-Backbone interact. energy: 3.066
local terms energy: -369.916731
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -114.578
flat angles C4'-P-C4' energy: -98.995
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -15.966
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: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -698.633611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.633611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.633611 (E_RNA)
where:
Base-Base interactions energy: -358.598
where: short stacking energy: -189.622
Base-Backbone interact. energy: 1.870
local terms energy: -341.905379
where:
bonds (distance) C4'-P energy: -79.285
bonds (distance) P-C4' energy: -108.190
flat angles C4'-P-C4' energy: -93.388
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2126.256097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.256097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.256097 (E_RNA)
where:
Base-Base interactions energy: -1499.446
where: short stacking energy: -625.720
Base-Backbone interact. energy: -3.501
local terms energy: -623.309910
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -128.304
flat angles P-C4'-P energy: -100.221
tors. eta vs tors. theta energy: -174.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2038.401793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.401793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.401793 (E_RNA)
where:
Base-Base interactions energy: -1434.419
where: short stacking energy: -572.445
Base-Backbone interact. energy: 0.880
local terms energy: -604.862309
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -106.185
flat angles C4'-P-C4' energy: -128.625
flat angles P-C4'-P energy: -79.944
tors. eta vs tors. theta energy: -176.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1967.139805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.139805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.139805 (E_RNA)
where:
Base-Base interactions energy: -1378.852
where: short stacking energy: -516.205
Base-Backbone interact. energy: 1.441
local terms energy: -589.728814
where:
bonds (distance) C4'-P energy: -100.809
bonds (distance) P-C4' energy: -114.255
flat angles C4'-P-C4' energy: -126.108
flat angles P-C4'-P energy: -89.584
tors. eta vs tors. theta energy: -158.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1844.449832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.449832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.449832 (E_RNA)
where:
Base-Base interactions energy: -1285.964
where: short stacking energy: -503.223
Base-Backbone interact. energy: -4.065
local terms energy: -554.421545
where:
bonds (distance) C4'-P energy: -101.040
bonds (distance) P-C4' energy: -120.766
flat angles C4'-P-C4' energy: -119.559
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -146.830
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: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1762.011518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.011518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.011518 (E_RNA)
where:
Base-Base interactions energy: -1229.765
where: short stacking energy: -491.494
Base-Backbone interact. energy: -4.590
local terms energy: -527.657181
where:
bonds (distance) C4'-P energy: -97.377
bonds (distance) P-C4' energy: -97.512
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -78.704
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1537.945313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.945313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.945313 (E_RNA)
where:
Base-Base interactions energy: -1035.825
where: short stacking energy: -411.465
Base-Backbone interact. energy: -0.318
local terms energy: -501.802500
where:
bonds (distance) C4'-P energy: -116.471
bonds (distance) P-C4' energy: -106.105
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -66.008
tors. eta vs tors. theta energy: -97.616
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1407.411690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.411690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.411690 (E_RNA)
where:
Base-Base interactions energy: -944.489
where: short stacking energy: -387.988
Base-Backbone interact. energy: -2.855
local terms energy: -460.067833
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -108.513
flat angles P-C4'-P energy: -68.768
tors. eta vs tors. theta energy: -86.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1194.724936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.724936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.724936 (E_RNA)
where:
Base-Base interactions energy: -771.354
where: short stacking energy: -334.597
Base-Backbone interact. energy: -0.942
local terms energy: -422.429214
where:
bonds (distance) C4'-P energy: -90.994
bonds (distance) P-C4' energy: -115.075
flat angles C4'-P-C4' energy: -86.341
flat angles P-C4'-P energy: -63.364
tors. eta vs tors. theta energy: -66.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -800.403509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.403509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.403509 (E_RNA)
where:
Base-Base interactions energy: -447.326
where: short stacking energy: -221.531
Base-Backbone interact. energy: -0.439
local terms energy: -352.638860
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -97.487
flat angles C4'-P-C4' energy: -77.457
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -706.909448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.909448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.909448 (E_RNA)
where:
Base-Base interactions energy: -390.728
where: short stacking energy: -217.336
Base-Backbone interact. energy: -1.062
local terms energy: -315.119316
where:
bonds (distance) C4'-P energy: -88.986
bonds (distance) P-C4' energy: -92.171
flat angles C4'-P-C4' energy: -78.962
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -13.805
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: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2151.438997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.438997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.438997 (E_RNA)
where:
Base-Base interactions energy: -1516.140
where: short stacking energy: -611.903
Base-Backbone interact. energy: -3.151
local terms energy: -632.148156
where:
bonds (distance) C4'-P energy: -120.739
bonds (distance) P-C4' energy: -117.996
flat angles C4'-P-C4' energy: -126.313
flat angles P-C4'-P energy: -86.986
tors. eta vs tors. theta energy: -180.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2082.715663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.715663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.715663 (E_RNA)
where:
Base-Base interactions energy: -1469.827
where: short stacking energy: -614.970
Base-Backbone interact. energy: -2.448
local terms energy: -610.440432
where:
bonds (distance) C4'-P energy: -110.938
bonds (distance) P-C4' energy: -118.366
flat angles C4'-P-C4' energy: -130.304
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -176.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1940.433093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.433093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.433093 (E_RNA)
where:
Base-Base interactions energy: -1377.191
where: short stacking energy: -545.322
Base-Backbone interact. energy: 2.137
local terms energy: -565.378243
where:
bonds (distance) C4'-P energy: -103.438
bonds (distance) P-C4' energy: -107.971
flat angles C4'-P-C4' energy: -122.503
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -153.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1841.846261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.846261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.846261 (E_RNA)
where:
Base-Base interactions energy: -1293.687
where: short stacking energy: -551.974
Base-Backbone interact. energy: -1.078
local terms energy: -547.081782
where:
bonds (distance) C4'-P energy: -99.028
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -120.657
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -140.112
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: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1686.735134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.735134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.735134 (E_RNA)
where:
Base-Base interactions energy: -1162.310
where: short stacking energy: -453.507
Base-Backbone interact. energy: 2.791
local terms energy: -527.216456
where:
bonds (distance) C4'-P energy: -104.745
bonds (distance) P-C4' energy: -115.937
flat angles C4'-P-C4' energy: -116.273
flat angles P-C4'-P energy: -74.910
tors. eta vs tors. theta energy: -115.353
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: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1544.746859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.746859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.746859 (E_RNA)
where:
Base-Base interactions energy: -1058.382
where: short stacking energy: -461.312
Base-Backbone interact. energy: -2.416
local terms energy: -483.948634
where:
bonds (distance) C4'-P energy: -89.301
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -108.542
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -117.758
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: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1400.055582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.055582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.055582 (E_RNA)
where:
Base-Base interactions energy: -929.780
where: short stacking energy: -391.473
Base-Backbone interact. energy: 5.606
local terms energy: -475.881794
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -108.658
flat angles P-C4'-P energy: -55.316
tors. eta vs tors. theta energy: -104.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1250.777351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.777351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.777351 (E_RNA)
where:
Base-Base interactions energy: -812.768
where: short stacking energy: -371.134
Base-Backbone interact. energy: 1.785
local terms energy: -439.794923
where:
bonds (distance) C4'-P energy: -94.537
bonds (distance) P-C4' energy: -94.833
flat angles C4'-P-C4' energy: -103.283
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -77.049
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -778.490054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.490054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.490054 (E_RNA)
where:
Base-Base interactions energy: -450.741
where: short stacking energy: -218.264
Base-Backbone interact. energy: 2.569
local terms energy: -330.317756
where:
bonds (distance) C4'-P energy: -86.831
bonds (distance) P-C4' energy: -93.386
flat angles C4'-P-C4' energy: -91.748
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: -9.842
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: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -677.209723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.209723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.209723 (E_RNA)
where:
Base-Base interactions energy: -350.835
where: short stacking energy: -189.126
Base-Backbone interact. energy: -2.311
local terms energy: -324.064077
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -102.074
flat angles C4'-P-C4' energy: -85.982
flat angles P-C4'-P energy: -40.693
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2130.749286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.749286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.749286 (E_RNA)
where:
Base-Base interactions energy: -1490.262
where: short stacking energy: -601.556
Base-Backbone interact. energy: -6.769
local terms energy: -633.718325
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -108.942
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -84.855
tors. eta vs tors. theta energy: -180.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2066.435316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.435316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.435316 (E_RNA)
where:
Base-Base interactions energy: -1439.479
where: short stacking energy: -580.452
Base-Backbone interact. energy: -4.500
local terms energy: -622.456181
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -109.937
flat angles C4'-P-C4' energy: -140.396
flat angles P-C4'-P energy: -89.239
tors. eta vs tors. theta energy: -174.003
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: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1930.886308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.886308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.886308 (E_RNA)
where:
Base-Base interactions energy: -1353.432
where: short stacking energy: -548.213
Base-Backbone interact. energy: -1.931
local terms energy: -575.524016
where:
bonds (distance) C4'-P energy: -117.365
bonds (distance) P-C4' energy: -109.817
flat angles C4'-P-C4' energy: -121.424
flat angles P-C4'-P energy: -78.641
tors. eta vs tors. theta energy: -148.277
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1789.992620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.992620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.992620 (E_RNA)
where:
Base-Base interactions energy: -1227.971
where: short stacking energy: -491.530
Base-Backbone interact. energy: -5.146
local terms energy: -556.875285
where:
bonds (distance) C4'-P energy: -115.528
bonds (distance) P-C4' energy: -109.626
flat angles C4'-P-C4' energy: -117.734
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -140.359
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: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1705.923996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.923996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.923996 (E_RNA)
where:
Base-Base interactions energy: -1199.189
where: short stacking energy: -471.006
Base-Backbone interact. energy: -3.399
local terms energy: -503.335752
where:
bonds (distance) C4'-P energy: -98.032
bonds (distance) P-C4' energy: -93.115
flat angles C4'-P-C4' energy: -118.706
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -119.498
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: 54
Temperature: 1.150000
Total energy: -1544.738957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.738957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.738957 (E_RNA)
where:
Base-Base interactions energy: -1031.184
where: short stacking energy: -453.597
Base-Backbone interact. energy: -1.700
local terms energy: -511.854314
where:
bonds (distance) C4'-P energy: -95.471
bonds (distance) P-C4' energy: -109.426
flat angles C4'-P-C4' energy: -118.965
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: -121.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1355.680803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.680803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.680803 (E_RNA)
where:
Base-Base interactions energy: -927.214
where: short stacking energy: -391.147
Base-Backbone interact. energy: 3.340
local terms energy: -431.807047
where:
bonds (distance) C4'-P energy: -92.196
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -100.364
flat angles P-C4'-P energy: -54.793
tors. eta vs tors. theta energy: -91.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1241.770569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.770569 (E_RNA)
where:
Base-Base interactions energy: -813.965
where: short stacking energy: -342.134
Base-Backbone interact. energy: -3.291
local terms energy: -424.514712
where:
bonds (distance) C4'-P energy: -84.318
bonds (distance) P-C4' energy: -108.553
flat angles C4'-P-C4' energy: -93.562
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -88.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -790.432579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.432579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.432579 (E_RNA)
where:
Base-Base interactions energy: -416.969
where: short stacking energy: -237.677
Base-Backbone interact. energy: 0.011
local terms energy: -373.474305
where:
bonds (distance) C4'-P energy: -85.512
bonds (distance) P-C4' energy: -107.895
flat angles C4'-P-C4' energy: -90.560
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -705.847740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.847740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.847740 (E_RNA)
where:
Base-Base interactions energy: -382.209
where: short stacking energy: -205.655
Base-Backbone interact. energy: -1.289
local terms energy: -322.349463
where:
bonds (distance) C4'-P energy: -74.722
bonds (distance) P-C4' energy: -104.959
flat angles C4'-P-C4' energy: -86.468
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2111.644720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.644720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.644720 (E_RNA)
where:
Base-Base interactions energy: -1474.303
where: short stacking energy: -598.344
Base-Backbone interact. energy: -1.426
local terms energy: -635.915322
where:
bonds (distance) C4'-P energy: -113.195
bonds (distance) P-C4' energy: -130.883
flat angles C4'-P-C4' energy: -131.350
flat angles P-C4'-P energy: -91.005
tors. eta vs tors. theta energy: -169.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2052.825540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.825540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.825540 (E_RNA)
where:
Base-Base interactions energy: -1436.516
where: short stacking energy: -610.429
Base-Backbone interact. energy: -2.096
local terms energy: -614.213169
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -121.268
flat angles C4'-P-C4' energy: -121.821
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -176.159
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: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1909.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.094843 (E_RNA)
where:
Base-Base interactions energy: -1345.210
where: short stacking energy: -545.309
Base-Backbone interact. energy: -0.737
local terms energy: -563.147705
where:
bonds (distance) C4'-P energy: -105.449
bonds (distance) P-C4' energy: -91.337
flat angles C4'-P-C4' energy: -129.704
flat angles P-C4'-P energy: -80.964
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1861.463816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.463816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.463816 (E_RNA)
where:
Base-Base interactions energy: -1303.719
where: short stacking energy: -516.617
Base-Backbone interact. energy: -2.540
local terms energy: -555.204634
where:
bonds (distance) C4'-P energy: -114.439
bonds (distance) P-C4' energy: -104.645
flat angles C4'-P-C4' energy: -119.449
flat angles P-C4'-P energy: -66.545
tors. eta vs tors. theta energy: -150.126
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: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1689.227628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.227628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.227628 (E_RNA)
where:
Base-Base interactions energy: -1164.652
where: short stacking energy: -470.175
Base-Backbone interact. energy: 0.661
local terms energy: -525.236721
where:
bonds (distance) C4'-P energy: -110.082
bonds (distance) P-C4' energy: -92.397
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -66.293
tors. eta vs tors. theta energy: -137.140
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: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1544.402039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.402039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.402039 (E_RNA)
where:
Base-Base interactions energy: -1063.158
where: short stacking energy: -449.878
Base-Backbone interact. energy: 1.246
local terms energy: -482.490499
where:
bonds (distance) C4'-P energy: -87.397
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -111.705
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -104.162
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: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1337.657938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.657938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.657938 (E_RNA)
where:
Base-Base interactions energy: -870.433
where: short stacking energy: -395.548
Base-Backbone interact. energy: 0.552
local terms energy: -467.777361
where:
bonds (distance) C4'-P energy: -97.294
bonds (distance) P-C4' energy: -95.039
flat angles C4'-P-C4' energy: -106.665
flat angles P-C4'-P energy: -76.713
tors. eta vs tors. theta energy: -92.067
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1244.733324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.733324 (E_RNA)
where:
Base-Base interactions energy: -830.505
where: short stacking energy: -347.794
Base-Backbone interact. energy: -1.591
local terms energy: -412.637549
where:
bonds (distance) C4'-P energy: -100.550
bonds (distance) P-C4' energy: -104.799
flat angles C4'-P-C4' energy: -86.728
flat angles P-C4'-P energy: -58.732
tors. eta vs tors. theta energy: -61.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -745.266021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.266021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.266021 (E_RNA)
where:
Base-Base interactions energy: -388.725
where: short stacking energy: -237.306
Base-Backbone interact. energy: -1.263
local terms energy: -355.278535
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -88.097
flat angles C4'-P-C4' energy: -78.499
flat angles P-C4'-P energy: -57.035
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -718.569043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.569043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.569043 (E_RNA)
where:
Base-Base interactions energy: -389.615
where: short stacking energy: -219.312
Base-Backbone interact. energy: -0.526
local terms energy: -328.427467
where:
bonds (distance) C4'-P energy: -76.467
bonds (distance) P-C4' energy: -104.997
flat angles C4'-P-C4' energy: -86.463
flat angles P-C4'-P energy: -55.117
tors. eta vs tors. theta energy: -5.383
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: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2110.844760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.844760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.844760 (E_RNA)
where:
Base-Base interactions energy: -1506.276
where: short stacking energy: -606.746
Base-Backbone interact. energy: -4.075
local terms energy: -600.494137
where:
bonds (distance) C4'-P energy: -109.928
bonds (distance) P-C4' energy: -116.974
flat angles C4'-P-C4' energy: -118.524
flat angles P-C4'-P energy: -91.158
tors. eta vs tors. theta energy: -163.910
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: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2022.340852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.340852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.340852 (E_RNA)
where:
Base-Base interactions energy: -1421.835
where: short stacking energy: -578.608
Base-Backbone interact. energy: -5.018
local terms energy: -595.488136
where:
bonds (distance) C4'-P energy: -112.474
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -130.562
flat angles P-C4'-P energy: -73.436
tors. eta vs tors. theta energy: -168.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1914.026894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.026894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.026894 (E_RNA)
where:
Base-Base interactions energy: -1346.503
where: short stacking energy: -551.959
Base-Backbone interact. energy: -2.039
local terms energy: -565.484465
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -115.498
flat angles C4'-P-C4' energy: -117.922
flat angles P-C4'-P energy: -85.685
tors. eta vs tors. theta energy: -149.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1867.355130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.355130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.355130 (E_RNA)
where:
Base-Base interactions energy: -1292.624
where: short stacking energy: -521.958
Base-Backbone interact. energy: -3.483
local terms energy: -571.248493
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -98.853
flat angles C4'-P-C4' energy: -109.760
flat angles P-C4'-P energy: -98.848
tors. eta vs tors. theta energy: -153.051
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1744.096090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.096090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.096090 (E_RNA)
where:
Base-Base interactions energy: -1196.220
where: short stacking energy: -497.842
Base-Backbone interact. energy: -1.692
local terms energy: -546.184416
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -116.085
flat angles P-C4'-P energy: -77.306
tors. eta vs tors. theta energy: -139.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1556.850439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.850439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.850439 (E_RNA)
where:
Base-Base interactions energy: -1040.883
where: short stacking energy: -414.416
Base-Backbone interact. energy: 0.447
local terms energy: -516.414015
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -106.384
flat angles C4'-P-C4' energy: -110.382
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -103.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1377.784407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.784407 (E_RNA)
where:
Base-Base interactions energy: -929.435
where: short stacking energy: -390.459
Base-Backbone interact. energy: 0.641
local terms energy: -448.990175
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -102.803
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -78.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1233.962646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.962646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.962646 (E_RNA)
where:
Base-Base interactions energy: -818.386
where: short stacking energy: -343.631
Base-Backbone interact. energy: -0.563
local terms energy: -415.013320
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -102.235
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -69.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -756.433041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.433041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.433041 (E_RNA)
where:
Base-Base interactions energy: -389.602
where: short stacking energy: -214.618
Base-Backbone interact. energy: 0.090
local terms energy: -366.921570
where:
bonds (distance) C4'-P energy: -95.494
bonds (distance) P-C4' energy: -109.509
flat angles C4'-P-C4' energy: -84.026
flat angles P-C4'-P energy: -46.988
tors. eta vs tors. theta energy: -30.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -759.087113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.087113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.087113 (E_RNA)
where:
Base-Base interactions energy: -431.201
where: short stacking energy: -230.790
Base-Backbone interact. energy: -0.091
local terms energy: -327.794392
where:
bonds (distance) C4'-P energy: -88.272
bonds (distance) P-C4' energy: -96.378
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -12.893
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2144.212800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.212800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.212800 (E_RNA)
where:
Base-Base interactions energy: -1520.685
where: short stacking energy: -620.801
Base-Backbone interact. energy: -2.902
local terms energy: -620.626541
where:
bonds (distance) C4'-P energy: -117.648
bonds (distance) P-C4' energy: -95.244
flat angles C4'-P-C4' energy: -127.601
flat angles P-C4'-P energy: -98.611
tors. eta vs tors. theta energy: -181.523
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2009.980850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.980850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.980850 (E_RNA)
where:
Base-Base interactions energy: -1417.474
where: short stacking energy: -569.381
Base-Backbone interact. energy: 0.524
local terms energy: -593.030183
where:
bonds (distance) C4'-P energy: -105.211
bonds (distance) P-C4' energy: -108.455
flat angles C4'-P-C4' energy: -124.293
flat angles P-C4'-P energy: -91.864
tors. eta vs tors. theta energy: -163.208
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1926.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.485416 (E_RNA)
where:
Base-Base interactions energy: -1333.078
where: short stacking energy: -531.325
Base-Backbone interact. energy: -0.527
local terms energy: -592.880061
where:
bonds (distance) C4'-P energy: -100.378
bonds (distance) P-C4' energy: -119.228
flat angles C4'-P-C4' energy: -122.712
flat angles P-C4'-P energy: -93.929
tors. eta vs tors. theta energy: -156.634
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: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1834.730093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.730093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.730093 (E_RNA)
where:
Base-Base interactions energy: -1273.612
where: short stacking energy: -513.640
Base-Backbone interact. energy: -3.316
local terms energy: -557.801986
where:
bonds (distance) C4'-P energy: -106.263
bonds (distance) P-C4' energy: -110.110
flat angles C4'-P-C4' energy: -120.677
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -152.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1733.149611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.149611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.149611 (E_RNA)
where:
Base-Base interactions energy: -1181.343
where: short stacking energy: -474.081
Base-Backbone interact. energy: 1.643
local terms energy: -553.449923
where:
bonds (distance) C4'-P energy: -104.743
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -79.836
tors. eta vs tors. theta energy: -135.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1563.826020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.826020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.826020 (E_RNA)
where:
Base-Base interactions energy: -1067.995
where: short stacking energy: -435.829
Base-Backbone interact. energy: -3.801
local terms energy: -492.029924
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -99.733
flat angles P-C4'-P energy: -81.889
tors. eta vs tors. theta energy: -112.855
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1324.350467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.350467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.350467 (E_RNA)
where:
Base-Base interactions energy: -882.178
where: short stacking energy: -396.128
Base-Backbone interact. energy: -0.280
local terms energy: -441.892341
where:
bonds (distance) C4'-P energy: -99.136
bonds (distance) P-C4' energy: -74.227
flat angles C4'-P-C4' energy: -116.792
flat angles P-C4'-P energy: -64.114
tors. eta vs tors. theta energy: -87.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1251.614206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.614206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.614206 (E_RNA)
where:
Base-Base interactions energy: -817.613
where: short stacking energy: -358.160
Base-Backbone interact. energy: 4.376
local terms energy: -438.377470
where:
bonds (distance) C4'-P energy: -106.613
bonds (distance) P-C4' energy: -101.239
flat angles C4'-P-C4' energy: -107.670
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -64.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -746.531121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.531121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.531121 (E_RNA)
where:
Base-Base interactions energy: -422.983
where: short stacking energy: -238.638
Base-Backbone interact. energy: 0.451
local terms energy: -323.999556
where:
bonds (distance) C4'-P energy: -83.963
bonds (distance) P-C4' energy: -105.299
flat angles C4'-P-C4' energy: -65.429
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -747.043863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.043863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.043863 (E_RNA)
where:
Base-Base interactions energy: -411.509
where: short stacking energy: -211.010
Base-Backbone interact. energy: -1.215
local terms energy: -334.320359
where:
bonds (distance) C4'-P energy: -101.593
bonds (distance) P-C4' energy: -81.880
flat angles C4'-P-C4' energy: -93.081
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2114.107170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.107170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.107170 (E_RNA)
where:
Base-Base interactions energy: -1467.826
where: short stacking energy: -593.898
Base-Backbone interact. energy: -4.959
local terms energy: -641.322417
where:
bonds (distance) C4'-P energy: -114.764
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -145.176
flat angles P-C4'-P energy: -87.539
tors. eta vs tors. theta energy: -173.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2020.338088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.338088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.338088 (E_RNA)
where:
Base-Base interactions energy: -1399.666
where: short stacking energy: -575.164
Base-Backbone interact. energy: -4.119
local terms energy: -616.552608
where:
bonds (distance) C4'-P energy: -113.500
bonds (distance) P-C4' energy: -104.620
flat angles C4'-P-C4' energy: -137.643
flat angles P-C4'-P energy: -88.398
tors. eta vs tors. theta energy: -172.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1903.640048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.640048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.640048 (E_RNA)
where:
Base-Base interactions energy: -1323.429
where: short stacking energy: -547.027
Base-Backbone interact. energy: -1.818
local terms energy: -578.392143
where:
bonds (distance) C4'-P energy: -110.653
bonds (distance) P-C4' energy: -103.263
flat angles C4'-P-C4' energy: -122.415
flat angles P-C4'-P energy: -87.949
tors. eta vs tors. theta energy: -154.112
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1811.733386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.733386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.733386 (E_RNA)
where:
Base-Base interactions energy: -1246.378
where: short stacking energy: -503.336
Base-Backbone interact. energy: 0.165
local terms energy: -565.521109
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -114.637
flat angles C4'-P-C4' energy: -121.544
flat angles P-C4'-P energy: -82.740
tors. eta vs tors. theta energy: -142.629
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: 58
Temperature: 1.100000
Total energy: -1706.313381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.313381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.313381 (E_RNA)
where:
Base-Base interactions energy: -1152.325
where: short stacking energy: -473.441
Base-Backbone interact. energy: -0.926
local terms energy: -553.063046
where:
bonds (distance) C4'-P energy: -110.101
bonds (distance) P-C4' energy: -120.349
flat angles C4'-P-C4' energy: -117.173
flat angles P-C4'-P energy: -89.453
tors. eta vs tors. theta energy: -115.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1547.534925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.534925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.534925 (E_RNA)
where:
Base-Base interactions energy: -1048.721
where: short stacking energy: -460.857
Base-Backbone interact. energy: -2.793
local terms energy: -496.020312
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -97.712
flat angles C4'-P-C4' energy: -112.052
flat angles P-C4'-P energy: -76.804
tors. eta vs tors. theta energy: -122.829
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1341.950607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.950607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.950607 (E_RNA)
where:
Base-Base interactions energy: -910.461
where: short stacking energy: -400.786
Base-Backbone interact. energy: 1.320
local terms energy: -432.809802
where:
bonds (distance) C4'-P energy: -88.786
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -97.319
flat angles P-C4'-P energy: -75.612
tors. eta vs tors. theta energy: -76.611
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1192.945871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.945871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.945871 (E_RNA)
where:
Base-Base interactions energy: -795.431
where: short stacking energy: -329.951
Base-Backbone interact. energy: 1.861
local terms energy: -399.376096
where:
bonds (distance) C4'-P energy: -81.124
bonds (distance) P-C4' energy: -104.560
flat angles C4'-P-C4' energy: -95.302
flat angles P-C4'-P energy: -76.563
tors. eta vs tors. theta energy: -41.826
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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -739.724151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.724151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.724151 (E_RNA)
where:
Base-Base interactions energy: -388.756
where: short stacking energy: -212.501
Base-Backbone interact. energy: 5.698
local terms energy: -356.665264
where:
bonds (distance) C4'-P energy: -90.845
bonds (distance) P-C4' energy: -105.302
flat angles C4'-P-C4' energy: -90.714
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -25.966
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: 58
Temperature: 1.350000
Total energy: -701.665352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.665352 (E_RNA)
where:
Base-Base interactions energy: -396.982
where: short stacking energy: -225.610
Base-Backbone interact. energy: 1.179
local terms energy: -305.862198
where:
bonds (distance) C4'-P energy: -77.604
bonds (distance) P-C4' energy: -83.156
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -24.603
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2111.261596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.261596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.261596 (E_RNA)
where:
Base-Base interactions energy: -1486.683
where: short stacking energy: -586.177
Base-Backbone interact. energy: -1.237
local terms energy: -623.341789
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -113.679
flat angles C4'-P-C4' energy: -127.117
flat angles P-C4'-P energy: -96.425
tors. eta vs tors. theta energy: -178.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2029.418299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.418299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.418299 (E_RNA)
where:
Base-Base interactions energy: -1413.040
where: short stacking energy: -574.084
Base-Backbone interact. energy: -2.190
local terms energy: -614.188249
where:
bonds (distance) C4'-P energy: -126.219
bonds (distance) P-C4' energy: -111.054
flat angles C4'-P-C4' energy: -127.194
flat angles P-C4'-P energy: -85.541
tors. eta vs tors. theta energy: -164.181
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1888.449103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.449103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.449103 (E_RNA)
where:
Base-Base interactions energy: -1318.329
where: short stacking energy: -535.868
Base-Backbone interact. energy: 1.791
local terms energy: -571.910849
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -102.694
flat angles C4'-P-C4' energy: -127.202
flat angles P-C4'-P energy: -81.597
tors. eta vs tors. theta energy: -149.974
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1880.663925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.663925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.663925 (E_RNA)
where:
Base-Base interactions energy: -1308.180
where: short stacking energy: -545.261
Base-Backbone interact. energy: -2.846
local terms energy: -569.637345
where:
bonds (distance) C4'-P energy: -105.553
bonds (distance) P-C4' energy: -109.368
flat angles C4'-P-C4' energy: -109.988
flat angles P-C4'-P energy: -88.704
tors. eta vs tors. theta energy: -156.025
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: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1754.864002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.864002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.864002 (E_RNA)
where:
Base-Base interactions energy: -1202.673
where: short stacking energy: -485.684
Base-Backbone interact. energy: -1.491
local terms energy: -550.700195
where:
bonds (distance) C4'-P energy: -106.843
bonds (distance) P-C4' energy: -117.568
flat angles C4'-P-C4' energy: -129.090
flat angles P-C4'-P energy: -58.470
tors. eta vs tors. theta energy: -138.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1574.119540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.119540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.119540 (E_RNA)
where:
Base-Base interactions energy: -1099.977
where: short stacking energy: -478.094
Base-Backbone interact. energy: -1.358
local terms energy: -472.783766
where:
bonds (distance) C4'-P energy: -86.152
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -108.192
flat angles P-C4'-P energy: -54.306
tors. eta vs tors. theta energy: -126.452
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1353.058823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.058823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.058823 (E_RNA)
where:
Base-Base interactions energy: -908.192
where: short stacking energy: -407.424
Base-Backbone interact. energy: -0.067
local terms energy: -444.799606
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -101.614
flat angles C4'-P-C4' energy: -109.540
flat angles P-C4'-P energy: -62.831
tors. eta vs tors. theta energy: -87.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1187.620451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.620451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.620451 (E_RNA)
where:
Base-Base interactions energy: -775.924
where: short stacking energy: -315.416
Base-Backbone interact. energy: -3.457
local terms energy: -408.239818
where:
bonds (distance) C4'-P energy: -95.620
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -54.086
tors. eta vs tors. theta energy: -56.936
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: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -833.998548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.998548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.998548 (E_RNA)
where:
Base-Base interactions energy: -482.540
where: short stacking energy: -242.892
Base-Backbone interact. energy: -0.480
local terms energy: -350.978682
where:
bonds (distance) C4'-P energy: -91.191
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -95.758
flat angles P-C4'-P energy: -48.539
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -691.730758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.730758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.730758 (E_RNA)
where:
Base-Base interactions energy: -373.352
where: short stacking energy: -216.680
Base-Backbone interact. energy: 1.349
local terms energy: -319.728649
where:
bonds (distance) C4'-P energy: -93.028
bonds (distance) P-C4' energy: -84.756
flat angles C4'-P-C4' energy: -85.802
flat angles P-C4'-P energy: -49.325
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2136.180686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.180686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.180686 (E_RNA)
where:
Base-Base interactions energy: -1495.805
where: short stacking energy: -590.387
Base-Backbone interact. energy: 3.499
local terms energy: -643.874837
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -121.624
flat angles C4'-P-C4' energy: -131.326
flat angles P-C4'-P energy: -89.031
tors. eta vs tors. theta energy: -178.516
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: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2047.669232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.669232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.669232 (E_RNA)
where:
Base-Base interactions energy: -1446.196
where: short stacking energy: -582.856
Base-Backbone interact. energy: 1.141
local terms energy: -602.613782
where:
bonds (distance) C4'-P energy: -108.782
bonds (distance) P-C4' energy: -116.128
flat angles C4'-P-C4' energy: -124.357
flat angles P-C4'-P energy: -86.311
tors. eta vs tors. theta energy: -167.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1939.074938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.074938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.074938 (E_RNA)
where:
Base-Base interactions energy: -1379.235
where: short stacking energy: -569.955
Base-Backbone interact. energy: 5.314
local terms energy: -565.154361
where:
bonds (distance) C4'-P energy: -99.228
bonds (distance) P-C4' energy: -110.179
flat angles C4'-P-C4' energy: -116.341
flat angles P-C4'-P energy: -86.477
tors. eta vs tors. theta energy: -152.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1860.130921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.130921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.130921 (E_RNA)
where:
Base-Base interactions energy: -1279.932
where: short stacking energy: -542.557
Base-Backbone interact. energy: -5.119
local terms energy: -575.079519
where:
bonds (distance) C4'-P energy: -108.464
bonds (distance) P-C4' energy: -103.076
flat angles C4'-P-C4' energy: -125.485
flat angles P-C4'-P energy: -86.245
tors. eta vs tors. theta energy: -151.809
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: 60
Temperature: 1.100000
Total energy: -1756.925763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.925763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.925763 (E_RNA)
where:
Base-Base interactions energy: -1207.087
where: short stacking energy: -503.322
Base-Backbone interact. energy: -0.685
local terms energy: -549.153078
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -104.511
flat angles C4'-P-C4' energy: -126.981
flat angles P-C4'-P energy: -78.025
tors. eta vs tors. theta energy: -140.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1570.256428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.256428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.256428 (E_RNA)
where:
Base-Base interactions energy: -1080.328
where: short stacking energy: -465.586
Base-Backbone interact. energy: -4.470
local terms energy: -485.458028
where:
bonds (distance) C4'-P energy: -105.694
bonds (distance) P-C4' energy: -83.856
flat angles C4'-P-C4' energy: -101.257
flat angles P-C4'-P energy: -73.737
tors. eta vs tors. theta energy: -120.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1393.525823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.525823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.525823 (E_RNA)
where:
Base-Base interactions energy: -897.289
where: short stacking energy: -411.772
Base-Backbone interact. energy: -1.929
local terms energy: -494.308227
where:
bonds (distance) C4'-P energy: -109.292
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -96.341
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -102.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1191.808605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.808605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.808605 (E_RNA)
where:
Base-Base interactions energy: -770.380
where: short stacking energy: -320.011
Base-Backbone interact. energy: 2.382
local terms energy: -423.810819
where:
bonds (distance) C4'-P energy: -107.523
bonds (distance) P-C4' energy: -105.661
flat angles C4'-P-C4' energy: -91.018
flat angles P-C4'-P energy: -60.652
tors. eta vs tors. theta energy: -58.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -822.565760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.565760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.565760 (E_RNA)
where:
Base-Base interactions energy: -464.955
where: short stacking energy: -208.683
Base-Backbone interact. energy: 0.275
local terms energy: -357.885548
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -108.577
flat angles C4'-P-C4' energy: -87.790
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -10.929
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: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -692.787910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.787910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.787910 (E_RNA)
where:
Base-Base interactions energy: -377.896
where: short stacking energy: -188.912
Base-Backbone interact. energy: -3.201
local terms energy: -311.690501
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -100.756
flat angles C4'-P-C4' energy: -85.254
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -3.979
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: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2149.397668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.397668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.397668 (E_RNA)
where:
Base-Base interactions energy: -1507.701
where: short stacking energy: -614.017
Base-Backbone interact. energy: -2.963
local terms energy: -638.732931
where:
bonds (distance) C4'-P energy: -110.293
bonds (distance) P-C4' energy: -121.389
flat angles C4'-P-C4' energy: -130.924
flat angles P-C4'-P energy: -88.770
tors. eta vs tors. theta energy: -187.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2052.168473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.168473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.168473 (E_RNA)
where:
Base-Base interactions energy: -1421.942
where: short stacking energy: -579.385
Base-Backbone interact. energy: -2.215
local terms energy: -628.011378
where:
bonds (distance) C4'-P energy: -118.064
bonds (distance) P-C4' energy: -106.164
flat angles C4'-P-C4' energy: -140.748
flat angles P-C4'-P energy: -84.166
tors. eta vs tors. theta energy: -178.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1937.444290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.444290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.444290 (E_RNA)
where:
Base-Base interactions energy: -1352.597
where: short stacking energy: -540.289
Base-Backbone interact. energy: -0.417
local terms energy: -584.430515
where:
bonds (distance) C4'-P energy: -114.534
bonds (distance) P-C4' energy: -107.600
flat angles C4'-P-C4' energy: -128.944
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -149.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1842.693002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.693002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.693002 (E_RNA)
where:
Base-Base interactions energy: -1285.459
where: short stacking energy: -533.332
Base-Backbone interact. energy: -4.599
local terms energy: -552.635157
where:
bonds (distance) C4'-P energy: -101.052
bonds (distance) P-C4' energy: -110.634
flat angles C4'-P-C4' energy: -123.238
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -149.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1747.239459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.239459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.239459 (E_RNA)
where:
Base-Base interactions energy: -1207.114
where: short stacking energy: -487.544
Base-Backbone interact. energy: -4.102
local terms energy: -536.023960
where:
bonds (distance) C4'-P energy: -106.591
bonds (distance) P-C4' energy: -112.645
flat angles C4'-P-C4' energy: -121.006
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -127.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1543.106498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.106498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.106498 (E_RNA)
where:
Base-Base interactions energy: -1030.210
where: short stacking energy: -403.783
Base-Backbone interact. energy: 0.745
local terms energy: -513.641763
where:
bonds (distance) C4'-P energy: -96.974
bonds (distance) P-C4' energy: -92.681
flat angles C4'-P-C4' energy: -128.636
flat angles P-C4'-P energy: -88.859
tors. eta vs tors. theta energy: -106.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1367.079711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.079711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.079711 (E_RNA)
where:
Base-Base interactions energy: -914.607
where: short stacking energy: -385.280
Base-Backbone interact. energy: 1.671
local terms energy: -454.143508
where:
bonds (distance) C4'-P energy: -97.022
bonds (distance) P-C4' energy: -108.670
flat angles C4'-P-C4' energy: -100.685
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -88.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1229.114859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.114859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.114859 (E_RNA)
where:
Base-Base interactions energy: -804.684
where: short stacking energy: -383.978
Base-Backbone interact. energy: -0.811
local terms energy: -423.619389
where:
bonds (distance) C4'-P energy: -95.638
bonds (distance) P-C4' energy: -93.390
flat angles C4'-P-C4' energy: -104.649
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -65.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -871.849148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.849148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.849148 (E_RNA)
where:
Base-Base interactions energy: -511.221
where: short stacking energy: -244.633
Base-Backbone interact. energy: -2.282
local terms energy: -358.346161
where:
bonds (distance) C4'-P energy: -108.844
bonds (distance) P-C4' energy: -96.457
flat angles C4'-P-C4' energy: -95.239
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -743.898973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.898973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.898973 (E_RNA)
where:
Base-Base interactions energy: -372.430
where: short stacking energy: -220.530
Base-Backbone interact. energy: -1.941
local terms energy: -369.527666
where:
bonds (distance) C4'-P energy: -94.642
bonds (distance) P-C4' energy: -107.702
flat angles C4'-P-C4' energy: -91.243
flat angles P-C4'-P energy: -54.151
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2132.603124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.603124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.603124 (E_RNA)
where:
Base-Base interactions energy: -1498.371
where: short stacking energy: -579.369
Base-Backbone interact. energy: 0.706
local terms energy: -634.937816
where:
bonds (distance) C4'-P energy: -108.401
bonds (distance) P-C4' energy: -124.264
flat angles C4'-P-C4' energy: -144.901
flat angles P-C4'-P energy: -87.154
tors. eta vs tors. theta energy: -170.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2059.484992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.484992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.484992 (E_RNA)
where:
Base-Base interactions energy: -1423.043
where: short stacking energy: -610.770
Base-Backbone interact. energy: -0.495
local terms energy: -635.947298
where:
bonds (distance) C4'-P energy: -121.142
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -122.625
flat angles P-C4'-P energy: -96.216
tors. eta vs tors. theta energy: -187.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1939.397806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.397806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.397806 (E_RNA)
where:
Base-Base interactions energy: -1339.917
where: short stacking energy: -529.552
Base-Backbone interact. energy: 0.746
local terms energy: -600.227228
where:
bonds (distance) C4'-P energy: -115.099
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -134.227
flat angles P-C4'-P energy: -79.093
tors. eta vs tors. theta energy: -153.083
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: 62
Temperature: 1.050000
Total energy: -1821.445477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.445477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.445477 (E_RNA)
where:
Base-Base interactions energy: -1239.949
where: short stacking energy: -508.353
Base-Backbone interact. energy: -0.167
local terms energy: -581.329439
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -112.367
flat angles C4'-P-C4' energy: -122.023
flat angles P-C4'-P energy: -82.771
tors. eta vs tors. theta energy: -145.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1758.831859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.831859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.831859 (E_RNA)
where:
Base-Base interactions energy: -1205.480
where: short stacking energy: -486.191
Base-Backbone interact. energy: -1.585
local terms energy: -551.766605
where:
bonds (distance) C4'-P energy: -114.141
bonds (distance) P-C4' energy: -109.425
flat angles C4'-P-C4' energy: -121.169
flat angles P-C4'-P energy: -71.581
tors. eta vs tors. theta energy: -135.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1522.002641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.002641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.002641 (E_RNA)
where:
Base-Base interactions energy: -1038.415
where: short stacking energy: -447.771
Base-Backbone interact. energy: 0.463
local terms energy: -484.050596
where:
bonds (distance) C4'-P energy: -86.538
bonds (distance) P-C4' energy: -105.542
flat angles C4'-P-C4' energy: -100.361
flat angles P-C4'-P energy: -85.127
tors. eta vs tors. theta energy: -106.482
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1397.805227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.805227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.805227 (E_RNA)
where:
Base-Base interactions energy: -912.340
where: short stacking energy: -395.859
Base-Backbone interact. energy: -0.635
local terms energy: -484.830621
where:
bonds (distance) C4'-P energy: -98.379
bonds (distance) P-C4' energy: -112.064
flat angles C4'-P-C4' energy: -106.429
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -101.785
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: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1258.423387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.423387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.423387 (E_RNA)
where:
Base-Base interactions energy: -820.245
where: short stacking energy: -363.970
Base-Backbone interact. energy: 4.732
local terms energy: -442.910953
where:
bonds (distance) C4'-P energy: -108.358
bonds (distance) P-C4' energy: -106.240
flat angles C4'-P-C4' energy: -94.270
flat angles P-C4'-P energy: -53.712
tors. eta vs tors. theta energy: -80.331
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -840.231634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.231634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.231634 (E_RNA)
where:
Base-Base interactions energy: -463.534
where: short stacking energy: -245.143
Base-Backbone interact. energy: -1.180
local terms energy: -375.517896
where:
bonds (distance) C4'-P energy: -97.509
bonds (distance) P-C4' energy: -76.611
flat angles C4'-P-C4' energy: -109.023
flat angles P-C4'-P energy: -62.917
tors. eta vs tors. theta energy: -29.458
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -729.777981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.777981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.777981 (E_RNA)
where:
Base-Base interactions energy: -402.322
where: short stacking energy: -183.093
Base-Backbone interact. energy: -2.199
local terms energy: -325.257752
where:
bonds (distance) C4'-P energy: -90.935
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -91.963
flat angles P-C4'-P energy: -47.560
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2126.247664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.247664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.247664 (E_RNA)
where:
Base-Base interactions energy: -1496.148
where: short stacking energy: -603.562
Base-Backbone interact. energy: -2.533
local terms energy: -627.567226
where:
bonds (distance) C4'-P energy: -125.421
bonds (distance) P-C4' energy: -110.435
flat angles C4'-P-C4' energy: -129.547
flat angles P-C4'-P energy: -92.814
tors. eta vs tors. theta energy: -169.350
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2035.181074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.181074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.181074 (E_RNA)
where:
Base-Base interactions energy: -1423.600
where: short stacking energy: -589.567
Base-Backbone interact. energy: -0.679
local terms energy: -610.902251
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -133.944
flat angles P-C4'-P energy: -86.643
tors. eta vs tors. theta energy: -175.138
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: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1934.027947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.027947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.027947 (E_RNA)
where:
Base-Base interactions energy: -1364.631
where: short stacking energy: -554.724
Base-Backbone interact. energy: -5.582
local terms energy: -563.815012
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -115.580
flat angles C4'-P-C4' energy: -110.615
flat angles P-C4'-P energy: -90.536
tors. eta vs tors. theta energy: -143.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1824.560900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.560900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.560900 (E_RNA)
where:
Base-Base interactions energy: -1274.280
where: short stacking energy: -496.527
Base-Backbone interact. energy: -0.441
local terms energy: -549.839937
where:
bonds (distance) C4'-P energy: -105.459
bonds (distance) P-C4' energy: -112.503
flat angles C4'-P-C4' energy: -106.355
flat angles P-C4'-P energy: -83.718
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: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1705.026742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.026742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.026742 (E_RNA)
where:
Base-Base interactions energy: -1162.255
where: short stacking energy: -464.184
Base-Backbone interact. energy: 2.709
local terms energy: -545.480946
where:
bonds (distance) C4'-P energy: -103.703
bonds (distance) P-C4' energy: -108.972
flat angles C4'-P-C4' energy: -104.292
flat angles P-C4'-P energy: -85.322
tors. eta vs tors. theta energy: -143.192
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: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1541.223333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.223333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.223333 (E_RNA)
where:
Base-Base interactions energy: -1037.819
where: short stacking energy: -428.168
Base-Backbone interact. energy: -0.449
local terms energy: -502.955370
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -105.750
flat angles P-C4'-P energy: -81.708
tors. eta vs tors. theta energy: -113.477
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: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1410.411835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.411835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.411835 (E_RNA)
where:
Base-Base interactions energy: -931.992
where: short stacking energy: -402.653
Base-Backbone interact. energy: -4.680
local terms energy: -473.739641
where:
bonds (distance) C4'-P energy: -86.387
bonds (distance) P-C4' energy: -104.996
flat angles C4'-P-C4' energy: -113.882
flat angles P-C4'-P energy: -69.520
tors. eta vs tors. theta energy: -98.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1207.902265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.902265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.902265 (E_RNA)
where:
Base-Base interactions energy: -792.633
where: short stacking energy: -324.884
Base-Backbone interact. energy: -2.954
local terms energy: -412.315553
where:
bonds (distance) C4'-P energy: -104.089
bonds (distance) P-C4' energy: -86.298
flat angles C4'-P-C4' energy: -98.782
flat angles P-C4'-P energy: -66.143
tors. eta vs tors. theta energy: -57.004
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -882.871988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.871988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.871988 (E_RNA)
where:
Base-Base interactions energy: -517.874
where: short stacking energy: -249.883
Base-Backbone interact. energy: -2.059
local terms energy: -362.939392
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -103.268
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -52.708
tors. eta vs tors. theta energy: -32.518
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -756.618131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.618131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.618131 (E_RNA)
where:
Base-Base interactions energy: -411.454
where: short stacking energy: -208.962
Base-Backbone interact. energy: -2.344
local terms energy: -342.819916
where:
bonds (distance) C4'-P energy: -99.452
bonds (distance) P-C4' energy: -101.093
flat angles C4'-P-C4' energy: -83.904
flat angles P-C4'-P energy: -53.137
tors. eta vs tors. theta energy: -5.234
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2106.400110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.400110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.400110 (E_RNA)
where:
Base-Base interactions energy: -1502.938
where: short stacking energy: -594.953
Base-Backbone interact. energy: -1.998
local terms energy: -601.463588
where:
bonds (distance) C4'-P energy: -106.241
bonds (distance) P-C4' energy: -122.287
flat angles C4'-P-C4' energy: -126.703
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -175.226
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2016.088076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.088076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.088076 (E_RNA)
where:
Base-Base interactions energy: -1423.181
where: short stacking energy: -583.863
Base-Backbone interact. energy: -2.413
local terms energy: -590.493838
where:
bonds (distance) C4'-P energy: -115.622
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -115.320
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -177.632
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1971.641349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.641349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.641349 (E_RNA)
where:
Base-Base interactions energy: -1385.008
where: short stacking energy: -554.428
Base-Backbone interact. energy: -0.052
local terms energy: -586.581310
where:
bonds (distance) C4'-P energy: -115.994
bonds (distance) P-C4' energy: -110.245
flat angles C4'-P-C4' energy: -129.407
flat angles P-C4'-P energy: -80.610
tors. eta vs tors. theta energy: -150.325
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: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1861.479978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.479978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.479978 (E_RNA)
where:
Base-Base interactions energy: -1293.321
where: short stacking energy: -528.929
Base-Backbone interact. energy: -3.576
local terms energy: -564.583007
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -100.245
flat angles C4'-P-C4' energy: -126.035
flat angles P-C4'-P energy: -89.456
tors. eta vs tors. theta energy: -147.205
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: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1719.510547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.510547 (E_RNA)
where:
Base-Base interactions energy: -1192.818
where: short stacking energy: -483.042
Base-Backbone interact. energy: -0.517
local terms energy: -526.176070
where:
bonds (distance) C4'-P energy: -111.302
bonds (distance) P-C4' energy: -95.543
flat angles C4'-P-C4' energy: -110.563
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -135.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1564.482452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.482452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.482452 (E_RNA)
where:
Base-Base interactions energy: -1062.998
where: short stacking energy: -471.352
Base-Backbone interact. energy: -0.764
local terms energy: -500.719614
where:
bonds (distance) C4'-P energy: -102.361
bonds (distance) P-C4' energy: -93.189
flat angles C4'-P-C4' energy: -108.407
flat angles P-C4'-P energy: -62.151
tors. eta vs tors. theta energy: -134.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1443.040965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.040965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.040965 (E_RNA)
where:
Base-Base interactions energy: -991.628
where: short stacking energy: -427.276
Base-Backbone interact. energy: 3.837
local terms energy: -455.250628
where:
bonds (distance) C4'-P energy: -87.283
bonds (distance) P-C4' energy: -89.730
flat angles C4'-P-C4' energy: -104.655
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -98.799
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1243.224365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.224365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.224365 (E_RNA)
where:
Base-Base interactions energy: -800.351
where: short stacking energy: -362.823
Base-Backbone interact. energy: -1.656
local terms energy: -441.217660
where:
bonds (distance) C4'-P energy: -85.857
bonds (distance) P-C4' energy: -98.782
flat angles C4'-P-C4' energy: -97.201
flat angles P-C4'-P energy: -68.198
tors. eta vs tors. theta energy: -91.180
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: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -823.529249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.529249 (E_RNA)
where:
Base-Base interactions energy: -491.348
where: short stacking energy: -265.580
Base-Backbone interact. energy: 7.793
local terms energy: -339.973775
where:
bonds (distance) C4'-P energy: -80.352
bonds (distance) P-C4' energy: -87.783
flat angles C4'-P-C4' energy: -99.757
flat angles P-C4'-P energy: -56.210
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -803.613665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.613665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.613665 (E_RNA)
where:
Base-Base interactions energy: -471.308
where: short stacking energy: -226.861
Base-Backbone interact. energy: 1.281
local terms energy: -333.586212
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -70.264
flat angles C4'-P-C4' energy: -87.069
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -31.576
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2103.674167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.674167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.674167 (E_RNA)
where:
Base-Base interactions energy: -1471.013
where: short stacking energy: -582.018
Base-Backbone interact. energy: -5.952
local terms energy: -626.709424
where:
bonds (distance) C4'-P energy: -114.645
bonds (distance) P-C4' energy: -128.315
flat angles C4'-P-C4' energy: -133.809
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: -166.762
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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2032.214670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.214670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.214670 (E_RNA)
where:
Base-Base interactions energy: -1417.217
where: short stacking energy: -570.692
Base-Backbone interact. energy: -4.774
local terms energy: -610.223022
where:
bonds (distance) C4'-P energy: -112.718
bonds (distance) P-C4' energy: -116.769
flat angles C4'-P-C4' energy: -130.451
flat angles P-C4'-P energy: -77.243
tors. eta vs tors. theta energy: -173.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1901.262929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.262929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.262929 (E_RNA)
where:
Base-Base interactions energy: -1369.741
where: short stacking energy: -534.615
Base-Backbone interact. energy: 1.101
local terms energy: -532.622688
where:
bonds (distance) C4'-P energy: -90.440
bonds (distance) P-C4' energy: -102.016
flat angles C4'-P-C4' energy: -111.668
flat angles P-C4'-P energy: -76.187
tors. eta vs tors. theta energy: -152.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1845.125830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.125830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.125830 (E_RNA)
where:
Base-Base interactions energy: -1292.495
where: short stacking energy: -521.660
Base-Backbone interact. energy: 0.311
local terms energy: -552.941671
where:
bonds (distance) C4'-P energy: -99.738
bonds (distance) P-C4' energy: -103.841
flat angles C4'-P-C4' energy: -124.646
flat angles P-C4'-P energy: -76.664
tors. eta vs tors. theta energy: -148.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1708.653918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.653918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.653918 (E_RNA)
where:
Base-Base interactions energy: -1191.847
where: short stacking energy: -457.248
Base-Backbone interact. energy: 3.183
local terms energy: -519.989282
where:
bonds (distance) C4'-P energy: -77.292
bonds (distance) P-C4' energy: -126.474
flat angles C4'-P-C4' energy: -116.242
flat angles P-C4'-P energy: -70.970
tors. eta vs tors. theta energy: -129.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1541.574076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.574076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.574076 (E_RNA)
where:
Base-Base interactions energy: -1036.725
where: short stacking energy: -453.006
Base-Backbone interact. energy: 2.531
local terms energy: -507.380208
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -118.369
flat angles C4'-P-C4' energy: -111.791
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -104.190
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: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1370.205914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.205914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.205914 (E_RNA)
where:
Base-Base interactions energy: -918.818
where: short stacking energy: -399.375
Base-Backbone interact. energy: -1.063
local terms energy: -450.324486
where:
bonds (distance) C4'-P energy: -85.446
bonds (distance) P-C4' energy: -88.647
flat angles C4'-P-C4' energy: -107.673
flat angles P-C4'-P energy: -78.411
tors. eta vs tors. theta energy: -90.148
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: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1216.278310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.278310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.278310 (E_RNA)
where:
Base-Base interactions energy: -810.275
where: short stacking energy: -317.510
Base-Backbone interact. energy: 1.145
local terms energy: -407.148353
where:
bonds (distance) C4'-P energy: -102.633
bonds (distance) P-C4' energy: -82.501
flat angles C4'-P-C4' energy: -95.809
flat angles P-C4'-P energy: -66.608
tors. eta vs tors. theta energy: -59.598
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -865.647342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.647342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.647342 (E_RNA)
where:
Base-Base interactions energy: -492.101
where: short stacking energy: -241.622
Base-Backbone interact. energy: 0.971
local terms energy: -374.517622
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -104.345
flat angles C4'-P-C4' energy: -92.454
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -41.393
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: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -866.747349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.747349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.747349 (E_RNA)
where:
Base-Base interactions energy: -512.435
where: short stacking energy: -251.477
Base-Backbone interact. energy: 1.765
local terms energy: -356.077180
where:
bonds (distance) C4'-P energy: -85.237
bonds (distance) P-C4' energy: -106.508
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -43.143
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2131.980057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.980057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.980057 (E_RNA)
where:
Base-Base interactions energy: -1518.443
where: short stacking energy: -573.407
Base-Backbone interact. energy: -2.065
local terms energy: -611.472356
where:
bonds (distance) C4'-P energy: -107.469
bonds (distance) P-C4' energy: -120.786
flat angles C4'-P-C4' energy: -120.231
flat angles P-C4'-P energy: -94.501
tors. eta vs tors. theta energy: -168.485
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: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2029.778446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.778446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.778446 (E_RNA)
where:
Base-Base interactions energy: -1416.887
where: short stacking energy: -578.094
Base-Backbone interact. energy: -4.032
local terms energy: -608.859541
where:
bonds (distance) C4'-P energy: -113.022
bonds (distance) P-C4' energy: -99.869
flat angles C4'-P-C4' energy: -136.403
flat angles P-C4'-P energy: -81.849
tors. eta vs tors. theta energy: -177.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1919.130534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.130534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.130534 (E_RNA)
where:
Base-Base interactions energy: -1364.737
where: short stacking energy: -550.682
Base-Backbone interact. energy: 3.776
local terms energy: -558.169413
where:
bonds (distance) C4'-P energy: -88.441
bonds (distance) P-C4' energy: -113.004
flat angles C4'-P-C4' energy: -130.725
flat angles P-C4'-P energy: -72.571
tors. eta vs tors. theta energy: -153.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1842.941825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.941825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.941825 (E_RNA)
where:
Base-Base interactions energy: -1292.037
where: short stacking energy: -548.446
Base-Backbone interact. energy: -1.861
local terms energy: -549.044337
where:
bonds (distance) C4'-P energy: -97.451
bonds (distance) P-C4' energy: -110.792
flat angles C4'-P-C4' energy: -104.367
flat angles P-C4'-P energy: -79.257
tors. eta vs tors. theta energy: -157.177
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: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1711.438520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.438520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.438520 (E_RNA)
where:
Base-Base interactions energy: -1166.091
where: short stacking energy: -458.523
Base-Backbone interact. energy: -4.174
local terms energy: -541.173662
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -120.550
flat angles C4'-P-C4' energy: -110.421
flat angles P-C4'-P energy: -76.167
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: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1550.058043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.058043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.058043 (E_RNA)
where:
Base-Base interactions energy: -1057.359
where: short stacking energy: -432.656
Base-Backbone interact. energy: -1.360
local terms energy: -491.338123
where:
bonds (distance) C4'-P energy: -99.762
bonds (distance) P-C4' energy: -103.827
flat angles C4'-P-C4' energy: -109.530
flat angles P-C4'-P energy: -68.513
tors. eta vs tors. theta energy: -109.705
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1392.109821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.109821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.109821 (E_RNA)
where:
Base-Base interactions energy: -899.985
where: short stacking energy: -407.455
Base-Backbone interact. energy: -0.635
local terms energy: -491.490460
where:
bonds (distance) C4'-P energy: -109.958
bonds (distance) P-C4' energy: -113.297
flat angles C4'-P-C4' energy: -103.215
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -96.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1206.331398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.331398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.331398 (E_RNA)
where:
Base-Base interactions energy: -812.523
where: short stacking energy: -347.416
Base-Backbone interact. energy: -2.375
local terms energy: -391.433189
where:
bonds (distance) C4'-P energy: -74.993
bonds (distance) P-C4' energy: -110.808
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -53.123
tors. eta vs tors. theta energy: -62.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -939.159084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.159084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.159084 (E_RNA)
where:
Base-Base interactions energy: -562.418
where: short stacking energy: -271.802
Base-Backbone interact. energy: -2.987
local terms energy: -373.753173
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -100.723
flat angles C4'-P-C4' energy: -83.565
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -39.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -808.414443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.414443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.414443 (E_RNA)
where:
Base-Base interactions energy: -469.339
where: short stacking energy: -213.178
Base-Backbone interact. energy: 3.950
local terms energy: -343.025034
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -98.876
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -32.857
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: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2097.395208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.395208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.395208 (E_RNA)
where:
Base-Base interactions energy: -1488.669
where: short stacking energy: -563.123
Base-Backbone interact. energy: -6.397
local terms energy: -602.328836
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -113.718
flat angles C4'-P-C4' energy: -130.560
flat angles P-C4'-P energy: -92.647
tors. eta vs tors. theta energy: -169.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2079.157588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.157588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.157588 (E_RNA)
where:
Base-Base interactions energy: -1453.726
where: short stacking energy: -597.371
Base-Backbone interact. energy: -3.298
local terms energy: -622.133823
where:
bonds (distance) C4'-P energy: -110.983
bonds (distance) P-C4' energy: -104.664
flat angles C4'-P-C4' energy: -128.090
flat angles P-C4'-P energy: -102.408
tors. eta vs tors. theta energy: -175.989
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: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1939.980047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.980047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.980047 (E_RNA)
where:
Base-Base interactions energy: -1348.462
where: short stacking energy: -547.732
Base-Backbone interact. energy: -3.552
local terms energy: -587.965792
where:
bonds (distance) C4'-P energy: -116.985
bonds (distance) P-C4' energy: -111.303
flat angles C4'-P-C4' energy: -122.830
flat angles P-C4'-P energy: -86.690
tors. eta vs tors. theta energy: -150.157
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1881.894138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.894138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.894138 (E_RNA)
where:
Base-Base interactions energy: -1290.100
where: short stacking energy: -529.872
Base-Backbone interact. energy: -3.244
local terms energy: -588.550171
where:
bonds (distance) C4'-P energy: -106.266
bonds (distance) P-C4' energy: -114.865
flat angles C4'-P-C4' energy: -127.541
flat angles P-C4'-P energy: -90.272
tors. eta vs tors. theta energy: -149.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1717.839862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.839862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.839862 (E_RNA)
where:
Base-Base interactions energy: -1214.178
where: short stacking energy: -477.054
Base-Backbone interact. energy: 1.573
local terms energy: -505.235039
where:
bonds (distance) C4'-P energy: -109.945
bonds (distance) P-C4' energy: -106.220
flat angles C4'-P-C4' energy: -98.461
flat angles P-C4'-P energy: -69.198
tors. eta vs tors. theta energy: -121.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1496.946492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.946492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.946492 (E_RNA)
where:
Base-Base interactions energy: -1014.846
where: short stacking energy: -442.527
Base-Backbone interact. energy: 1.743
local terms energy: -483.843038
where:
bonds (distance) C4'-P energy: -97.744
bonds (distance) P-C4' energy: -94.243
flat angles C4'-P-C4' energy: -120.195
flat angles P-C4'-P energy: -72.461
tors. eta vs tors. theta energy: -99.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1392.698889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.698889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.698889 (E_RNA)
where:
Base-Base interactions energy: -932.516
where: short stacking energy: -388.041
Base-Backbone interact. energy: 3.395
local terms energy: -463.578379
where:
bonds (distance) C4'-P energy: -101.794
bonds (distance) P-C4' energy: -84.202
flat angles C4'-P-C4' energy: -113.494
flat angles P-C4'-P energy: -64.330
tors. eta vs tors. theta energy: -99.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1257.356408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.356408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.356408 (E_RNA)
where:
Base-Base interactions energy: -826.373
where: short stacking energy: -359.435
Base-Backbone interact. energy: 2.195
local terms energy: -433.177615
where:
bonds (distance) C4'-P energy: -89.782
bonds (distance) P-C4' energy: -101.778
flat angles C4'-P-C4' energy: -107.501
flat angles P-C4'-P energy: -62.334
tors. eta vs tors. theta energy: -71.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -857.475126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.475126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.475126 (E_RNA)
where:
Base-Base interactions energy: -490.027
where: short stacking energy: -235.182
Base-Backbone interact. energy: -1.278
local terms energy: -366.170195
where:
bonds (distance) C4'-P energy: -84.509
bonds (distance) P-C4' energy: -106.672
flat angles C4'-P-C4' energy: -89.916
flat angles P-C4'-P energy: -56.878
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -795.711288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.711288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.711288 (E_RNA)
where:
Base-Base interactions energy: -441.708
where: short stacking energy: -226.072
Base-Backbone interact. energy: 3.317
local terms energy: -357.320156
where:
bonds (distance) C4'-P energy: -84.016
bonds (distance) P-C4' energy: -101.885
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -25.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2128.122979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.122979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.122979 (E_RNA)
where:
Base-Base interactions energy: -1503.991
where: short stacking energy: -600.928
Base-Backbone interact. energy: -2.276
local terms energy: -621.855556
where:
bonds (distance) C4'-P energy: -108.338
bonds (distance) P-C4' energy: -118.287
flat angles C4'-P-C4' energy: -120.821
flat angles P-C4'-P energy: -98.580
tors. eta vs tors. theta energy: -175.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2032.374299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.374299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.374299 (E_RNA)
where:
Base-Base interactions energy: -1400.714
where: short stacking energy: -560.294
Base-Backbone interact. energy: -2.210
local terms energy: -629.450366
where:
bonds (distance) C4'-P energy: -107.704
bonds (distance) P-C4' energy: -118.639
flat angles C4'-P-C4' energy: -139.291
flat angles P-C4'-P energy: -92.127
tors. eta vs tors. theta energy: -171.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1920.961010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.961010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.961010 (E_RNA)
where:
Base-Base interactions energy: -1335.896
where: short stacking energy: -507.687
Base-Backbone interact. energy: -4.036
local terms energy: -581.028577
where:
bonds (distance) C4'-P energy: -113.437
bonds (distance) P-C4' energy: -115.911
flat angles C4'-P-C4' energy: -128.205
flat angles P-C4'-P energy: -80.075
tors. eta vs tors. theta energy: -143.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1884.442238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.442238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.442238 (E_RNA)
where:
Base-Base interactions energy: -1313.533
where: short stacking energy: -560.388
Base-Backbone interact. energy: -0.761
local terms energy: -570.148030
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -139.007
flat angles P-C4'-P energy: -79.179
tors. eta vs tors. theta energy: -164.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1748.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.764185 (E_RNA)
where:
Base-Base interactions energy: -1212.411
where: short stacking energy: -495.513
Base-Backbone interact. energy: 1.714
local terms energy: -538.067411
where:
bonds (distance) C4'-P energy: -111.280
bonds (distance) P-C4' energy: -107.652
flat angles C4'-P-C4' energy: -124.112
flat angles P-C4'-P energy: -66.567
tors. eta vs tors. theta energy: -128.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1526.914618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.914618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.914618 (E_RNA)
where:
Base-Base interactions energy: -1023.484
where: short stacking energy: -417.421
Base-Backbone interact. energy: -2.735
local terms energy: -500.695484
where:
bonds (distance) C4'-P energy: -95.302
bonds (distance) P-C4' energy: -108.483
flat angles C4'-P-C4' energy: -107.693
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -107.233
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: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1361.571999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.571999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.571999 (E_RNA)
where:
Base-Base interactions energy: -900.689
where: short stacking energy: -390.760
Base-Backbone interact. energy: -3.146
local terms energy: -457.736814
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -94.514
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -76.474
tors. eta vs tors. theta energy: -99.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1272.087373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.087373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.087373 (E_RNA)
where:
Base-Base interactions energy: -849.913
where: short stacking energy: -375.367
Base-Backbone interact. energy: 7.008
local terms energy: -429.182696
where:
bonds (distance) C4'-P energy: -97.110
bonds (distance) P-C4' energy: -93.476
flat angles C4'-P-C4' energy: -100.561
flat angles P-C4'-P energy: -67.217
tors. eta vs tors. theta energy: -70.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -900.502391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.502391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.502391 (E_RNA)
where:
Base-Base interactions energy: -530.247
where: short stacking energy: -253.233
Base-Backbone interact. energy: -0.377
local terms energy: -369.878311
where:
bonds (distance) C4'-P energy: -105.901
bonds (distance) P-C4' energy: -88.816
flat angles C4'-P-C4' energy: -86.062
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -36.810
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: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -838.389873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.389873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.389873 (E_RNA)
where:
Base-Base interactions energy: -465.880
where: short stacking energy: -247.847
Base-Backbone interact. energy: 4.172
local terms energy: -376.681788
where:
bonds (distance) C4'-P energy: -90.600
bonds (distance) P-C4' energy: -110.720
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -61.503
tors. eta vs tors. theta energy: -23.736
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: 69
Temperature: 0.900000
Total energy: -2139.776390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.776390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.776390 (E_RNA)
where:
Base-Base interactions energy: -1508.164
where: short stacking energy: -577.978
Base-Backbone interact. energy: 1.692
local terms energy: -633.303971
where:
bonds (distance) C4'-P energy: -128.476
bonds (distance) P-C4' energy: -109.299
flat angles C4'-P-C4' energy: -131.548
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -174.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2039.212463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.212463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.212463 (E_RNA)
where:
Base-Base interactions energy: -1406.196
where: short stacking energy: -573.414
Base-Backbone interact. energy: -5.909
local terms energy: -627.107846
where:
bonds (distance) C4'-P energy: -126.027
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -130.843
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -175.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1910.784091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.784091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.784091 (E_RNA)
where:
Base-Base interactions energy: -1337.834
where: short stacking energy: -523.104
Base-Backbone interact. energy: 1.355
local terms energy: -574.304957
where:
bonds (distance) C4'-P energy: -112.096
bonds (distance) P-C4' energy: -116.030
flat angles C4'-P-C4' energy: -126.215
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -140.236
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: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1863.975787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.975787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.975787 (E_RNA)
where:
Base-Base interactions energy: -1302.767
where: short stacking energy: -536.358
Base-Backbone interact. energy: 2.861
local terms energy: -564.070323
where:
bonds (distance) C4'-P energy: -104.719
bonds (distance) P-C4' energy: -93.894
flat angles C4'-P-C4' energy: -123.486
flat angles P-C4'-P energy: -82.533
tors. eta vs tors. theta energy: -159.438
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1725.663867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.663867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.663867 (E_RNA)
where:
Base-Base interactions energy: -1219.044
where: short stacking energy: -486.800
Base-Backbone interact. energy: 1.642
local terms energy: -508.262244
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -104.668
flat angles C4'-P-C4' energy: -116.577
flat angles P-C4'-P energy: -65.306
tors. eta vs tors. theta energy: -125.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1531.342379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.342379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.342379 (E_RNA)
where:
Base-Base interactions energy: -1029.770
where: short stacking energy: -429.019
Base-Backbone interact. energy: -2.552
local terms energy: -499.021027
where:
bonds (distance) C4'-P energy: -112.502
bonds (distance) P-C4' energy: -103.511
flat angles C4'-P-C4' energy: -115.526
flat angles P-C4'-P energy: -71.633
tors. eta vs tors. theta energy: -95.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1401.122833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.122833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.122833 (E_RNA)
where:
Base-Base interactions energy: -911.838
where: short stacking energy: -409.986
Base-Backbone interact. energy: 0.071
local terms energy: -489.355069
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -102.980
flat angles C4'-P-C4' energy: -107.441
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -111.788
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: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1236.732537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.732537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.732537 (E_RNA)
where:
Base-Base interactions energy: -821.262
where: short stacking energy: -343.122
Base-Backbone interact. energy: -2.058
local terms energy: -413.412838
where:
bonds (distance) C4'-P energy: -98.551
bonds (distance) P-C4' energy: -93.567
flat angles C4'-P-C4' energy: -87.181
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -66.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -842.090635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.090635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.090635 (E_RNA)
where:
Base-Base interactions energy: -497.665
where: short stacking energy: -222.756
Base-Backbone interact. energy: -2.483
local terms energy: -341.942472
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -94.947
flat angles C4'-P-C4' energy: -94.301
flat angles P-C4'-P energy: -43.383
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -778.251676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.251676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.251676 (E_RNA)
where:
Base-Base interactions energy: -449.201
where: short stacking energy: -201.993
Base-Backbone interact. energy: 0.468
local terms energy: -329.518207
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -87.552
flat angles C4'-P-C4' energy: -87.411
flat angles P-C4'-P energy: -59.680
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2120.139817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.139817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.139817 (E_RNA)
where:
Base-Base interactions energy: -1487.292
where: short stacking energy: -569.863
Base-Backbone interact. energy: -2.726
local terms energy: -630.122061
where:
bonds (distance) C4'-P energy: -119.522
bonds (distance) P-C4' energy: -127.967
flat angles C4'-P-C4' energy: -129.121
flat angles P-C4'-P energy: -80.952
tors. eta vs tors. theta energy: -172.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2025.987808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.987808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.987808 (E_RNA)
where:
Base-Base interactions energy: -1421.021
where: short stacking energy: -574.788
Base-Backbone interact. energy: -5.071
local terms energy: -599.895572
where:
bonds (distance) C4'-P energy: -115.657
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -129.249
flat angles P-C4'-P energy: -95.444
tors. eta vs tors. theta energy: -161.253
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: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1954.870923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.870923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.870923 (E_RNA)
where:
Base-Base interactions energy: -1354.861
where: short stacking energy: -540.383
Base-Backbone interact. energy: -0.918
local terms energy: -599.092242
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -123.900
flat angles C4'-P-C4' energy: -116.732
flat angles P-C4'-P energy: -83.190
tors. eta vs tors. theta energy: -168.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1896.741401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.741401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.741401 (E_RNA)
where:
Base-Base interactions energy: -1301.783
where: short stacking energy: -528.476
Base-Backbone interact. energy: 0.584
local terms energy: -595.542499
where:
bonds (distance) C4'-P energy: -112.149
bonds (distance) P-C4' energy: -100.895
flat angles C4'-P-C4' energy: -134.514
flat angles P-C4'-P energy: -89.298
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: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1769.004042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.004042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.004042 (E_RNA)
where:
Base-Base interactions energy: -1237.149
where: short stacking energy: -491.957
Base-Backbone interact. energy: -0.002
local terms energy: -531.852408
where:
bonds (distance) C4'-P energy: -97.395
bonds (distance) P-C4' energy: -115.745
flat angles C4'-P-C4' energy: -120.776
flat angles P-C4'-P energy: -77.114
tors. eta vs tors. theta energy: -120.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1469.389806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.389806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.389806 (E_RNA)
where:
Base-Base interactions energy: -994.960
where: short stacking energy: -436.451
Base-Backbone interact. energy: -1.826
local terms energy: -472.603791
where:
bonds (distance) C4'-P energy: -103.878
bonds (distance) P-C4' energy: -98.103
flat angles C4'-P-C4' energy: -105.981
flat angles P-C4'-P energy: -80.600
tors. eta vs tors. theta energy: -84.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1359.509461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.509461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.509461 (E_RNA)
where:
Base-Base interactions energy: -909.108
where: short stacking energy: -385.054
Base-Backbone interact. energy: -1.769
local terms energy: -448.632561
where:
bonds (distance) C4'-P energy: -96.816
bonds (distance) P-C4' energy: -102.866
flat angles C4'-P-C4' energy: -100.794
flat angles P-C4'-P energy: -66.210
tors. eta vs tors. theta energy: -81.947
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: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1240.375557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.375557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.375557 (E_RNA)
where:
Base-Base interactions energy: -815.664
where: short stacking energy: -350.232
Base-Backbone interact. energy: 1.169
local terms energy: -425.880351
where:
bonds (distance) C4'-P energy: -98.994
bonds (distance) P-C4' energy: -85.676
flat angles C4'-P-C4' energy: -101.111
flat angles P-C4'-P energy: -74.872
tors. eta vs tors. theta energy: -65.228
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: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -824.642836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.642836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.642836 (E_RNA)
where:
Base-Base interactions energy: -459.199
where: short stacking energy: -229.513
Base-Backbone interact. energy: 0.371
local terms energy: -365.814227
where:
bonds (distance) C4'-P energy: -99.060
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -84.393
flat angles P-C4'-P energy: -65.122
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -788.750989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.750989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.750989 (E_RNA)
where:
Base-Base interactions energy: -442.666
where: short stacking energy: -208.485
Base-Backbone interact. energy: -1.778
local terms energy: -344.306402
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -96.467
flat angles C4'-P-C4' energy: -90.676
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2096.357441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.357441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.357441 (E_RNA)
where:
Base-Base interactions energy: -1471.606
where: short stacking energy: -573.525
Base-Backbone interact. energy: -1.824
local terms energy: -622.926754
where:
bonds (distance) C4'-P energy: -113.083
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -120.068
flat angles P-C4'-P energy: -99.653
tors. eta vs tors. theta energy: -173.173
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1987.978556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.978556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.978556 (E_RNA)
where:
Base-Base interactions energy: -1408.180
where: short stacking energy: -558.199
Base-Backbone interact. energy: -3.777
local terms energy: -576.022256
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -126.162
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -174.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1969.882955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.882955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.882955 (E_RNA)
where:
Base-Base interactions energy: -1366.332
where: short stacking energy: -557.506
Base-Backbone interact. energy: 0.655
local terms energy: -604.206040
where:
bonds (distance) C4'-P energy: -114.871
bonds (distance) P-C4' energy: -104.752
flat angles C4'-P-C4' energy: -123.601
flat angles P-C4'-P energy: -88.673
tors. eta vs tors. theta energy: -172.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1888.127068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.127068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.127068 (E_RNA)
where:
Base-Base interactions energy: -1317.121
where: short stacking energy: -534.193
Base-Backbone interact. energy: -2.541
local terms energy: -568.465337
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -132.952
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -162.146
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: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1708.447288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.447288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.447288 (E_RNA)
where:
Base-Base interactions energy: -1187.493
where: short stacking energy: -470.032
Base-Backbone interact. energy: -2.059
local terms energy: -518.895310
where:
bonds (distance) C4'-P energy: -105.725
bonds (distance) P-C4' energy: -101.461
flat angles C4'-P-C4' energy: -124.507
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: -116.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1468.239397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.239397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.239397 (E_RNA)
where:
Base-Base interactions energy: -987.528
where: short stacking energy: -419.234
Base-Backbone interact. energy: -2.686
local terms energy: -478.025021
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -104.255
flat angles C4'-P-C4' energy: -103.832
flat angles P-C4'-P energy: -71.641
tors. eta vs tors. theta energy: -97.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1410.891957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.891957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.891957 (E_RNA)
where:
Base-Base interactions energy: -949.241
where: short stacking energy: -382.069
Base-Backbone interact. energy: 1.363
local terms energy: -463.014120
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -106.537
flat angles C4'-P-C4' energy: -112.469
flat angles P-C4'-P energy: -64.949
tors. eta vs tors. theta energy: -88.832
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1224.261588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.261588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.261588 (E_RNA)
where:
Base-Base interactions energy: -810.113
where: short stacking energy: -342.179
Base-Backbone interact. energy: 1.732
local terms energy: -415.880685
where:
bonds (distance) C4'-P energy: -97.329
bonds (distance) P-C4' energy: -94.762
flat angles C4'-P-C4' energy: -84.870
flat angles P-C4'-P energy: -66.757
tors. eta vs tors. theta energy: -72.162
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: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -774.638915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.638915 (E_RNA)
where:
Base-Base interactions energy: -427.285
where: short stacking energy: -202.448
Base-Backbone interact. energy: -0.233
local terms energy: -347.121186
where:
bonds (distance) C4'-P energy: -99.085
bonds (distance) P-C4' energy: -113.493
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: 2.314
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: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -756.932191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.932191 (E_RNA)
where:
Base-Base interactions energy: -429.200
where: short stacking energy: -205.753
Base-Backbone interact. energy: -2.967
local terms energy: -324.765278
where:
bonds (distance) C4'-P energy: -90.212
bonds (distance) P-C4' energy: -88.292
flat angles C4'-P-C4' energy: -84.209
flat angles P-C4'-P energy: -59.979
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2114.143068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.143068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.143068 (E_RNA)
where:
Base-Base interactions energy: -1480.442
where: short stacking energy: -586.507
Base-Backbone interact. energy: -0.262
local terms energy: -633.439137
where:
bonds (distance) C4'-P energy: -110.068
bonds (distance) P-C4' energy: -127.873
flat angles C4'-P-C4' energy: -123.699
flat angles P-C4'-P energy: -93.964
tors. eta vs tors. theta energy: -177.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1970.639561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.639561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.639561 (E_RNA)
where:
Base-Base interactions energy: -1377.269
where: short stacking energy: -570.817
Base-Backbone interact. energy: -2.475
local terms energy: -590.896484
where:
bonds (distance) C4'-P energy: -117.948
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -70.646
tors. eta vs tors. theta energy: -159.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2002.855585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.855585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.855585 (E_RNA)
where:
Base-Base interactions energy: -1420.572
where: short stacking energy: -571.778
Base-Backbone interact. energy: -3.627
local terms energy: -578.656202
where:
bonds (distance) C4'-P energy: -102.528
bonds (distance) P-C4' energy: -103.424
flat angles C4'-P-C4' energy: -110.368
flat angles P-C4'-P energy: -80.276
tors. eta vs tors. theta energy: -182.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1848.128108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.128108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.128108 (E_RNA)
where:
Base-Base interactions energy: -1296.042
where: short stacking energy: -525.781
Base-Backbone interact. energy: 3.264
local terms energy: -555.349878
where:
bonds (distance) C4'-P energy: -95.846
bonds (distance) P-C4' energy: -113.466
flat angles C4'-P-C4' energy: -119.090
flat angles P-C4'-P energy: -79.633
tors. eta vs tors. theta energy: -147.314
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: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1726.624325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.624325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.624325 (E_RNA)
where:
Base-Base interactions energy: -1196.989
where: short stacking energy: -502.466
Base-Backbone interact. energy: 2.128
local terms energy: -531.763582
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -102.241
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -90.491
tors. eta vs tors. theta energy: -134.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1466.868493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.868493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.868493 (E_RNA)
where:
Base-Base interactions energy: -978.267
where: short stacking energy: -423.477
Base-Backbone interact. energy: 1.865
local terms energy: -490.467236
where:
bonds (distance) C4'-P energy: -99.345
bonds (distance) P-C4' energy: -103.339
flat angles C4'-P-C4' energy: -114.429
flat angles P-C4'-P energy: -63.027
tors. eta vs tors. theta energy: -110.328
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: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1403.461717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.461717 (E_RNA)
where:
Base-Base interactions energy: -934.993
where: short stacking energy: -391.241
Base-Backbone interact. energy: -1.313
local terms energy: -467.156024
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -108.403
flat angles P-C4'-P energy: -59.499
tors. eta vs tors. theta energy: -90.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1224.703842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.703842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.703842 (E_RNA)
where:
Base-Base interactions energy: -813.298
where: short stacking energy: -342.448
Base-Backbone interact. energy: 3.637
local terms energy: -415.042322
where:
bonds (distance) C4'-P energy: -87.681
bonds (distance) P-C4' energy: -115.402
flat angles C4'-P-C4' energy: -109.437
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -57.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -767.811410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.811410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.811410 (E_RNA)
where:
Base-Base interactions energy: -401.663
where: short stacking energy: -196.936
Base-Backbone interact. energy: -0.189
local terms energy: -365.959777
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -98.275
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -69.357
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -795.377812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.377812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.377812 (E_RNA)
where:
Base-Base interactions energy: -457.183
where: short stacking energy: -235.347
Base-Backbone interact. energy: -1.037
local terms energy: -337.157839
where:
bonds (distance) C4'-P energy: -101.648
bonds (distance) P-C4' energy: -83.895
flat angles C4'-P-C4' energy: -93.552
flat angles P-C4'-P energy: -53.392
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2091.863737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.863737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.863737 (E_RNA)
where:
Base-Base interactions energy: -1457.042
where: short stacking energy: -568.339
Base-Backbone interact. energy: -5.761
local terms energy: -629.060297
where:
bonds (distance) C4'-P energy: -115.862
bonds (distance) P-C4' energy: -120.939
flat angles C4'-P-C4' energy: -130.246
flat angles P-C4'-P energy: -86.267
tors. eta vs tors. theta energy: -175.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2024.886558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.886558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.886558 (E_RNA)
where:
Base-Base interactions energy: -1409.703
where: short stacking energy: -567.707
Base-Backbone interact. energy: -1.658
local terms energy: -613.525336
where:
bonds (distance) C4'-P energy: -101.892
bonds (distance) P-C4' energy: -117.041
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -89.243
tors. eta vs tors. theta energy: -173.204
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1922.658748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.658748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.658748 (E_RNA)
where:
Base-Base interactions energy: -1340.856
where: short stacking energy: -536.988
Base-Backbone interact. energy: -2.231
local terms energy: -579.571449
where:
bonds (distance) C4'-P energy: -107.866
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -129.021
flat angles P-C4'-P energy: -76.391
tors. eta vs tors. theta energy: -146.602
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1858.146789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.146789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.146789 (E_RNA)
where:
Base-Base interactions energy: -1305.334
where: short stacking energy: -541.101
Base-Backbone interact. energy: -1.968
local terms energy: -550.845093
where:
bonds (distance) C4'-P energy: -107.988
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -104.187
flat angles P-C4'-P energy: -74.491
tors. eta vs tors. theta energy: -156.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1704.076063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.076063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.076063 (E_RNA)
where:
Base-Base interactions energy: -1186.578
where: short stacking energy: -467.025
Base-Backbone interact. energy: 5.073
local terms energy: -522.570987
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -77.805
tors. eta vs tors. theta energy: -130.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1486.492361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.492361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.492361 (E_RNA)
where:
Base-Base interactions energy: -1000.934
where: short stacking energy: -406.876
Base-Backbone interact. energy: 1.040
local terms energy: -486.598463
where:
bonds (distance) C4'-P energy: -110.435
bonds (distance) P-C4' energy: -97.985
flat angles C4'-P-C4' energy: -114.724
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -95.915
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: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1365.009472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.009472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.009472 (E_RNA)
where:
Base-Base interactions energy: -894.685
where: short stacking energy: -395.406
Base-Backbone interact. energy: -0.473
local terms energy: -469.851163
where:
bonds (distance) C4'-P energy: -99.254
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -105.483
flat angles P-C4'-P energy: -70.401
tors. eta vs tors. theta energy: -94.290
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: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1277.357301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.357301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.357301 (E_RNA)
where:
Base-Base interactions energy: -831.435
where: short stacking energy: -359.160
Base-Backbone interact. energy: -4.717
local terms energy: -441.205330
where:
bonds (distance) C4'-P energy: -99.953
bonds (distance) P-C4' energy: -114.940
flat angles C4'-P-C4' energy: -78.221
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -79.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -817.210859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.210859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.210859 (E_RNA)
where:
Base-Base interactions energy: -468.484
where: short stacking energy: -228.950
Base-Backbone interact. energy: -2.830
local terms energy: -345.896392
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -87.615
flat angles C4'-P-C4' energy: -104.251
flat angles P-C4'-P energy: -30.742
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -793.060219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.060219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.060219 (E_RNA)
where:
Base-Base interactions energy: -471.921
where: short stacking energy: -237.537
Base-Backbone interact. energy: -1.419
local terms energy: -319.719608
where:
bonds (distance) C4'-P energy: -89.692
bonds (distance) P-C4' energy: -82.199
flat angles C4'-P-C4' energy: -91.208
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2087.478239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.478239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.478239 (E_RNA)
where:
Base-Base interactions energy: -1456.551
where: short stacking energy: -590.460
Base-Backbone interact. energy: -2.609
local terms energy: -628.317836
where:
bonds (distance) C4'-P energy: -122.836
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -127.732
flat angles P-C4'-P energy: -89.236
tors. eta vs tors. theta energy: -169.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2053.613617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.613617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.613617 (E_RNA)
where:
Base-Base interactions energy: -1442.255
where: short stacking energy: -583.915
Base-Backbone interact. energy: -0.252
local terms energy: -611.107036
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -112.598
flat angles C4'-P-C4' energy: -132.324
flat angles P-C4'-P energy: -78.936
tors. eta vs tors. theta energy: -172.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1875.279864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.279864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.279864 (E_RNA)
where:
Base-Base interactions energy: -1309.453
where: short stacking energy: -529.718
Base-Backbone interact. energy: 0.117
local terms energy: -565.944376
where:
bonds (distance) C4'-P energy: -111.016
bonds (distance) P-C4' energy: -91.384
flat angles C4'-P-C4' energy: -123.726
flat angles P-C4'-P energy: -83.139
tors. eta vs tors. theta energy: -156.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1835.604010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.604010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.604010 (E_RNA)
where:
Base-Base interactions energy: -1297.565
where: short stacking energy: -506.997
Base-Backbone interact. energy: -3.056
local terms energy: -534.983090
where:
bonds (distance) C4'-P energy: -97.901
bonds (distance) P-C4' energy: -85.151
flat angles C4'-P-C4' energy: -122.270
flat angles P-C4'-P energy: -86.506
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: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1705.223757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.223757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.223757 (E_RNA)
where:
Base-Base interactions energy: -1175.297
where: short stacking energy: -492.475
Base-Backbone interact. energy: 1.753
local terms energy: -531.680672
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -108.561
flat angles C4'-P-C4' energy: -113.481
flat angles P-C4'-P energy: -76.340
tors. eta vs tors. theta energy: -136.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1455.971670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.971670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.971670 (E_RNA)
where:
Base-Base interactions energy: -971.929
where: short stacking energy: -404.841
Base-Backbone interact. energy: -1.763
local terms energy: -482.279535
where:
bonds (distance) C4'-P energy: -108.509
bonds (distance) P-C4' energy: -101.699
flat angles C4'-P-C4' energy: -124.206
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -74.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1342.845144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.845144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.845144 (E_RNA)
where:
Base-Base interactions energy: -899.746
where: short stacking energy: -380.434
Base-Backbone interact. energy: -3.478
local terms energy: -439.620845
where:
bonds (distance) C4'-P energy: -106.610
bonds (distance) P-C4' energy: -84.000
flat angles C4'-P-C4' energy: -107.404
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: -79.270
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: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1235.961504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.961504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.961504 (E_RNA)
where:
Base-Base interactions energy: -829.912
where: short stacking energy: -356.968
Base-Backbone interact. energy: -1.677
local terms energy: -404.372560
where:
bonds (distance) C4'-P energy: -90.062
bonds (distance) P-C4' energy: -97.276
flat angles C4'-P-C4' energy: -82.511
flat angles P-C4'-P energy: -55.828
tors. eta vs tors. theta energy: -78.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -859.109502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.109502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.109502 (E_RNA)
where:
Base-Base interactions energy: -488.228
where: short stacking energy: -217.893
Base-Backbone interact. energy: -5.824
local terms energy: -365.057253
where:
bonds (distance) C4'-P energy: -91.986
bonds (distance) P-C4' energy: -95.567
flat angles C4'-P-C4' energy: -96.699
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -13.131
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: 74
Temperature: 1.350000
Total energy: -816.935974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.935974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.935974 (E_RNA)
where:
Base-Base interactions energy: -470.692
where: short stacking energy: -245.838
Base-Backbone interact. energy: 4.179
local terms energy: -350.422801
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -88.157
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -28.675
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: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2125.957166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.957166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.957166 (E_RNA)
where:
Base-Base interactions energy: -1488.893
where: short stacking energy: -589.202
Base-Backbone interact. energy: 2.513
local terms energy: -639.577449
where:
bonds (distance) C4'-P energy: -124.307
bonds (distance) P-C4' energy: -122.915
flat angles C4'-P-C4' energy: -137.133
flat angles P-C4'-P energy: -78.897
tors. eta vs tors. theta energy: -176.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2043.366370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.366370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.366370 (E_RNA)
where:
Base-Base interactions energy: -1439.349
where: short stacking energy: -584.844
Base-Backbone interact. energy: 0.585
local terms energy: -604.602491
where:
bonds (distance) C4'-P energy: -107.300
bonds (distance) P-C4' energy: -112.903
flat angles C4'-P-C4' energy: -133.726
flat angles P-C4'-P energy: -81.422
tors. eta vs tors. theta energy: -169.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1922.214540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.214540 (E_RNA)
where:
Base-Base interactions energy: -1340.826
where: short stacking energy: -554.849
Base-Backbone interact. energy: -0.302
local terms energy: -581.086378
where:
bonds (distance) C4'-P energy: -105.959
bonds (distance) P-C4' energy: -103.223
flat angles C4'-P-C4' energy: -123.301
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -165.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1802.207528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.207528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.207528 (E_RNA)
where:
Base-Base interactions energy: -1234.509
where: short stacking energy: -482.387
Base-Backbone interact. energy: -4.117
local terms energy: -563.581566
where:
bonds (distance) C4'-P energy: -103.716
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -121.009
flat angles P-C4'-P energy: -95.943
tors. eta vs tors. theta energy: -137.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1699.929917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.929917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.929917 (E_RNA)
where:
Base-Base interactions energy: -1174.627
where: short stacking energy: -475.897
Base-Backbone interact. energy: -2.238
local terms energy: -523.065424
where:
bonds (distance) C4'-P energy: -91.474
bonds (distance) P-C4' energy: -105.996
flat angles C4'-P-C4' energy: -120.041
flat angles P-C4'-P energy: -68.345
tors. eta vs tors. theta energy: -137.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1419.841725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.841725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.841725 (E_RNA)
where:
Base-Base interactions energy: -961.132
where: short stacking energy: -387.974
Base-Backbone interact. energy: -3.095
local terms energy: -455.614290
where:
bonds (distance) C4'-P energy: -103.850
bonds (distance) P-C4' energy: -108.320
flat angles C4'-P-C4' energy: -115.581
flat angles P-C4'-P energy: -44.963
tors. eta vs tors. theta energy: -82.900
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: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1397.146026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.146026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.146026 (E_RNA)
where:
Base-Base interactions energy: -925.720
where: short stacking energy: -408.548
Base-Backbone interact. energy: -2.383
local terms energy: -469.042519
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -111.150
flat angles P-C4'-P energy: -72.389
tors. eta vs tors. theta energy: -90.005
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: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1217.651134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.651134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.651134 (E_RNA)
where:
Base-Base interactions energy: -802.315
where: short stacking energy: -369.036
Base-Backbone interact. energy: -1.237
local terms energy: -414.099773
where:
bonds (distance) C4'-P energy: -68.183
bonds (distance) P-C4' energy: -98.783
flat angles C4'-P-C4' energy: -112.107
flat angles P-C4'-P energy: -71.562
tors. eta vs tors. theta energy: -63.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -894.973959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.973959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.973959 (E_RNA)
where:
Base-Base interactions energy: -534.985
where: short stacking energy: -248.658
Base-Backbone interact. energy: -0.565
local terms energy: -359.424026
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -115.300
flat angles C4'-P-C4' energy: -74.912
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -39.989
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: 75
Temperature: 1.350000
Total energy: -814.342084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.342084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.342084 (E_RNA)
where:
Base-Base interactions energy: -452.831
where: short stacking energy: -226.518
Base-Backbone interact. energy: 3.311
local terms energy: -364.821722
where:
bonds (distance) C4'-P energy: -99.608
bonds (distance) P-C4' energy: -96.441
flat angles C4'-P-C4' energy: -86.683
flat angles P-C4'-P energy: -57.720
tors. eta vs tors. theta energy: -24.369
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: 76
Temperature: 0.900000
Total energy: -2132.167207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.167207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.167207 (E_RNA)
where:
Base-Base interactions energy: -1492.484
where: short stacking energy: -607.503
Base-Backbone interact. energy: 0.092
local terms energy: -639.775427
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -139.650
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -182.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2006.978957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.978957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.978957 (E_RNA)
where:
Base-Base interactions energy: -1393.128
where: short stacking energy: -559.006
Base-Backbone interact. energy: -3.137
local terms energy: -610.713240
where:
bonds (distance) C4'-P energy: -117.886
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -131.003
flat angles P-C4'-P energy: -84.168
tors. eta vs tors. theta energy: -167.142
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: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1875.943274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.943274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.943274 (E_RNA)
where:
Base-Base interactions energy: -1320.301
where: short stacking energy: -538.411
Base-Backbone interact. energy: 1.234
local terms energy: -556.876781
where:
bonds (distance) C4'-P energy: -92.547
bonds (distance) P-C4' energy: -97.634
flat angles C4'-P-C4' energy: -125.128
flat angles P-C4'-P energy: -74.323
tors. eta vs tors. theta energy: -167.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1879.566114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.566114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.566114 (E_RNA)
where:
Base-Base interactions energy: -1312.060
where: short stacking energy: -523.667
Base-Backbone interact. energy: -3.760
local terms energy: -563.746407
where:
bonds (distance) C4'-P energy: -110.537
bonds (distance) P-C4' energy: -113.892
flat angles C4'-P-C4' energy: -105.034
flat angles P-C4'-P energy: -83.949
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1807.266889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.266889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.266889 (E_RNA)
where:
Base-Base interactions energy: -1267.870
where: short stacking energy: -500.274
Base-Backbone interact. energy: -2.797
local terms energy: -536.599297
where:
bonds (distance) C4'-P energy: -105.171
bonds (distance) P-C4' energy: -104.989
flat angles C4'-P-C4' energy: -110.816
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -132.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1441.935651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.935651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.935651 (E_RNA)
where:
Base-Base interactions energy: -951.924
where: short stacking energy: -419.475
Base-Backbone interact. energy: -2.451
local terms energy: -487.560622
where:
bonds (distance) C4'-P energy: -105.600
bonds (distance) P-C4' energy: -100.537
flat angles C4'-P-C4' energy: -102.377
flat angles P-C4'-P energy: -81.529
tors. eta vs tors. theta energy: -97.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1399.342125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.342125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.342125 (E_RNA)
where:
Base-Base interactions energy: -930.081
where: short stacking energy: -408.130
Base-Backbone interact. energy: -0.889
local terms energy: -468.371996
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -107.421
flat angles C4'-P-C4' energy: -102.907
flat angles P-C4'-P energy: -70.040
tors. eta vs tors. theta energy: -102.118
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1224.437379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.437379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.437379 (E_RNA)
where:
Base-Base interactions energy: -775.764
where: short stacking energy: -354.387
Base-Backbone interact. energy: 2.264
local terms energy: -450.937389
where:
bonds (distance) C4'-P energy: -92.559
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -98.929
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -70.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -859.718498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.718498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.718498 (E_RNA)
where:
Base-Base interactions energy: -504.970
where: short stacking energy: -245.492
Base-Backbone interact. energy: 1.437
local terms energy: -356.185848
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -93.975
flat angles C4'-P-C4' energy: -93.663
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -843.825308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.825308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.825308 (E_RNA)
where:
Base-Base interactions energy: -495.363
where: short stacking energy: -246.031
Base-Backbone interact. energy: -3.178
local terms energy: -345.284932
where:
bonds (distance) C4'-P energy: -85.970
bonds (distance) P-C4' energy: -83.057
flat angles C4'-P-C4' energy: -90.422
flat angles P-C4'-P energy: -60.714
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2101.023514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.023514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.023514 (E_RNA)
where:
Base-Base interactions energy: -1488.175
where: short stacking energy: -576.748
Base-Backbone interact. energy: -0.642
local terms energy: -612.206628
where:
bonds (distance) C4'-P energy: -109.615
bonds (distance) P-C4' energy: -132.447
flat angles C4'-P-C4' energy: -123.033
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -169.548
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1974.300663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.300663 (E_RNA)
where:
Base-Base interactions energy: -1370.624
where: short stacking energy: -534.433
Base-Backbone interact. energy: -2.688
local terms energy: -600.988996
where:
bonds (distance) C4'-P energy: -121.135
bonds (distance) P-C4' energy: -120.236
flat angles C4'-P-C4' energy: -119.867
flat angles P-C4'-P energy: -87.937
tors. eta vs tors. theta energy: -151.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1904.813824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.813824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.813824 (E_RNA)
where:
Base-Base interactions energy: -1315.271
where: short stacking energy: -535.827
Base-Backbone interact. energy: 1.501
local terms energy: -591.044346
where:
bonds (distance) C4'-P energy: -110.824
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -118.209
flat angles P-C4'-P energy: -88.807
tors. eta vs tors. theta energy: -162.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1811.288547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.288547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.288547 (E_RNA)
where:
Base-Base interactions energy: -1248.449
where: short stacking energy: -476.495
Base-Backbone interact. energy: -2.968
local terms energy: -559.871535
where:
bonds (distance) C4'-P energy: -118.718
bonds (distance) P-C4' energy: -113.349
flat angles C4'-P-C4' energy: -116.836
flat angles P-C4'-P energy: -77.184
tors. eta vs tors. theta energy: -133.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1759.869448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.869448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.869448 (E_RNA)
where:
Base-Base interactions energy: -1243.230
where: short stacking energy: -505.157
Base-Backbone interact. energy: -2.184
local terms energy: -514.455193
where:
bonds (distance) C4'-P energy: -99.142
bonds (distance) P-C4' energy: -113.673
flat angles C4'-P-C4' energy: -112.588
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -136.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1451.112698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.112698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.112698 (E_RNA)
where:
Base-Base interactions energy: -965.567
where: short stacking energy: -432.391
Base-Backbone interact. energy: -2.015
local terms energy: -483.531100
where:
bonds (distance) C4'-P energy: -97.162
bonds (distance) P-C4' energy: -96.494
flat angles C4'-P-C4' energy: -110.754
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -107.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1335.055912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.055912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.055912 (E_RNA)
where:
Base-Base interactions energy: -854.327
where: short stacking energy: -368.645
Base-Backbone interact. energy: -2.138
local terms energy: -478.591367
where:
bonds (distance) C4'-P energy: -101.947
bonds (distance) P-C4' energy: -123.985
flat angles C4'-P-C4' energy: -96.087
flat angles P-C4'-P energy: -69.997
tors. eta vs tors. theta energy: -86.576
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: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1278.681452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.681452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.681452 (E_RNA)
where:
Base-Base interactions energy: -853.925
where: short stacking energy: -381.830
Base-Backbone interact. energy: 3.757
local terms energy: -428.512908
where:
bonds (distance) C4'-P energy: -96.834
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -95.754
flat angles P-C4'-P energy: -63.948
tors. eta vs tors. theta energy: -74.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -843.986686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.986686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.986686 (E_RNA)
where:
Base-Base interactions energy: -481.265
where: short stacking energy: -211.590
Base-Backbone interact. energy: 2.516
local terms energy: -365.237535
where:
bonds (distance) C4'-P energy: -101.898
bonds (distance) P-C4' energy: -97.069
flat angles C4'-P-C4' energy: -88.965
flat angles P-C4'-P energy: -61.203
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -843.089326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.089326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.089326 (E_RNA)
where:
Base-Base interactions energy: -503.409
where: short stacking energy: -219.526
Base-Backbone interact. energy: -0.634
local terms energy: -339.046675
where:
bonds (distance) C4'-P energy: -96.974
bonds (distance) P-C4' energy: -94.854
flat angles C4'-P-C4' energy: -92.453
flat angles P-C4'-P energy: -35.149
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2101.340229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.340229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.340229 (E_RNA)
where:
Base-Base interactions energy: -1484.171
where: short stacking energy: -584.862
Base-Backbone interact. energy: -2.659
local terms energy: -614.510238
where:
bonds (distance) C4'-P energy: -114.694
bonds (distance) P-C4' energy: -114.439
flat angles C4'-P-C4' energy: -121.892
flat angles P-C4'-P energy: -95.532
tors. eta vs tors. theta energy: -167.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1981.274659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.274659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.274659 (E_RNA)
where:
Base-Base interactions energy: -1383.567
where: short stacking energy: -574.857
Base-Backbone interact. energy: -1.622
local terms energy: -596.085460
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -121.098
flat angles C4'-P-C4' energy: -122.137
flat angles P-C4'-P energy: -88.740
tors. eta vs tors. theta energy: -164.237
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1905.531247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.531247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.531247 (E_RNA)
where:
Base-Base interactions energy: -1315.965
where: short stacking energy: -527.989
Base-Backbone interact. energy: -2.648
local terms energy: -586.917613
where:
bonds (distance) C4'-P energy: -112.899
bonds (distance) P-C4' energy: -114.202
flat angles C4'-P-C4' energy: -126.105
flat angles P-C4'-P energy: -82.855
tors. eta vs tors. theta energy: -150.856
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: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1849.276261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.276261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.276261 (E_RNA)
where:
Base-Base interactions energy: -1275.323
where: short stacking energy: -541.357
Base-Backbone interact. energy: -5.222
local terms energy: -568.731299
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -110.252
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -80.829
tors. eta vs tors. theta energy: -148.055
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: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1756.061286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.061286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.061286 (E_RNA)
where:
Base-Base interactions energy: -1215.621
where: short stacking energy: -489.609
Base-Backbone interact. energy: -2.374
local terms energy: -538.066296
where:
bonds (distance) C4'-P energy: -91.358
bonds (distance) P-C4' energy: -105.768
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -81.557
tors. eta vs tors. theta energy: -141.870
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: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1472.416584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.416584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.416584 (E_RNA)
where:
Base-Base interactions energy: -974.208
where: short stacking energy: -425.233
Base-Backbone interact. energy: -1.836
local terms energy: -496.372125
where:
bonds (distance) C4'-P energy: -110.283
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -96.243
flat angles P-C4'-P energy: -83.427
tors. eta vs tors. theta energy: -108.997
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1415.171459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.171459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.171459 (E_RNA)
where:
Base-Base interactions energy: -916.718
where: short stacking energy: -402.578
Base-Backbone interact. energy: -1.293
local terms energy: -497.160142
where:
bonds (distance) C4'-P energy: -92.889
bonds (distance) P-C4' energy: -117.348
flat angles C4'-P-C4' energy: -100.019
flat angles P-C4'-P energy: -80.817
tors. eta vs tors. theta energy: -106.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1274.192138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.192138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.192138 (E_RNA)
where:
Base-Base interactions energy: -850.333
where: short stacking energy: -363.426
Base-Backbone interact. energy: 0.380
local terms energy: -424.239276
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -106.100
flat angles C4'-P-C4' energy: -100.457
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -61.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -881.163008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.163008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.163008 (E_RNA)
where:
Base-Base interactions energy: -538.616
where: short stacking energy: -243.115
Base-Backbone interact. energy: 4.924
local terms energy: -347.471046
where:
bonds (distance) C4'-P energy: -92.250
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -86.437
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -34.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -808.024584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.024584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.024584 (E_RNA)
where:
Base-Base interactions energy: -461.022
where: short stacking energy: -231.971
Base-Backbone interact. energy: -1.014
local terms energy: -345.989083
where:
bonds (distance) C4'-P energy: -87.399
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -98.990
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2123.421830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.421830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.421830 (E_RNA)
where:
Base-Base interactions energy: -1464.697
where: short stacking energy: -591.083
Base-Backbone interact. energy: -1.857
local terms energy: -656.868346
where:
bonds (distance) C4'-P energy: -126.364
bonds (distance) P-C4' energy: -115.261
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -100.344
tors. eta vs tors. theta energy: -179.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2002.979316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.979316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.979316 (E_RNA)
where:
Base-Base interactions energy: -1390.220
where: short stacking energy: -573.826
Base-Backbone interact. energy: -6.283
local terms energy: -606.477186
where:
bonds (distance) C4'-P energy: -112.575
bonds (distance) P-C4' energy: -108.954
flat angles C4'-P-C4' energy: -130.013
flat angles P-C4'-P energy: -90.195
tors. eta vs tors. theta energy: -164.740
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1890.185459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.185459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.185459 (E_RNA)
where:
Base-Base interactions energy: -1319.149
where: short stacking energy: -534.384
Base-Backbone interact. energy: -1.514
local terms energy: -569.522416
where:
bonds (distance) C4'-P energy: -105.822
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -126.458
flat angles P-C4'-P energy: -77.423
tors. eta vs tors. theta energy: -148.136
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: 79
Temperature: 1.050000
Total energy: -1843.243657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.243657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.243657 (E_RNA)
where:
Base-Base interactions energy: -1284.586
where: short stacking energy: -528.049
Base-Backbone interact. energy: -3.502
local terms energy: -555.154972
where:
bonds (distance) C4'-P energy: -95.375
bonds (distance) P-C4' energy: -107.728
flat angles C4'-P-C4' energy: -127.569
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -154.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1749.007474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.007474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.007474 (E_RNA)
where:
Base-Base interactions energy: -1223.442
where: short stacking energy: -495.810
Base-Backbone interact. energy: -4.429
local terms energy: -521.136939
where:
bonds (distance) C4'-P energy: -104.472
bonds (distance) P-C4' energy: -93.562
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -133.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1465.796408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.796408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.796408 (E_RNA)
where:
Base-Base interactions energy: -984.096
where: short stacking energy: -417.587
Base-Backbone interact. energy: 1.394
local terms energy: -483.094077
where:
bonds (distance) C4'-P energy: -95.304
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -108.012
flat angles P-C4'-P energy: -74.456
tors. eta vs tors. theta energy: -96.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1429.150699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.150699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.150699 (E_RNA)
where:
Base-Base interactions energy: -945.899
where: short stacking energy: -385.626
Base-Backbone interact. energy: -0.252
local terms energy: -483.000059
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -98.713
flat angles C4'-P-C4' energy: -102.896
flat angles P-C4'-P energy: -73.297
tors. eta vs tors. theta energy: -100.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1262.149398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.149398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.149398 (E_RNA)
where:
Base-Base interactions energy: -824.598
where: short stacking energy: -369.103
Base-Backbone interact. energy: -0.608
local terms energy: -436.944160
where:
bonds (distance) C4'-P energy: -99.847
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -105.250
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -81.650
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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -815.761548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.761548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.761548 (E_RNA)
where:
Base-Base interactions energy: -477.926
where: short stacking energy: -234.370
Base-Backbone interact. energy: 6.384
local terms energy: -344.219377
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -110.904
flat angles C4'-P-C4' energy: -86.812
flat angles P-C4'-P energy: -58.092
tors. eta vs tors. theta energy: 5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -749.895444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.895444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.895444 (E_RNA)
where:
Base-Base interactions energy: -410.630
where: short stacking energy: -210.288
Base-Backbone interact. energy: -3.076
local terms energy: -336.189512
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -96.837
flat angles C4'-P-C4' energy: -86.679
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -12.857
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: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2116.362607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.362607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.362607 (E_RNA)
where:
Base-Base interactions energy: -1474.834
where: short stacking energy: -582.910
Base-Backbone interact. energy: -2.193
local terms energy: -639.336491
where:
bonds (distance) C4'-P energy: -127.658
bonds (distance) P-C4' energy: -132.939
flat angles C4'-P-C4' energy: -127.104
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -173.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2000.941022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.941022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.941022 (E_RNA)
where:
Base-Base interactions energy: -1384.292
where: short stacking energy: -577.004
Base-Backbone interact. energy: -5.236
local terms energy: -611.412292
where:
bonds (distance) C4'-P energy: -107.702
bonds (distance) P-C4' energy: -113.976
flat angles C4'-P-C4' energy: -133.561
flat angles P-C4'-P energy: -86.631
tors. eta vs tors. theta energy: -169.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1897.125845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.125845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.125845 (E_RNA)
where:
Base-Base interactions energy: -1341.539
where: short stacking energy: -554.662
Base-Backbone interact. energy: -1.269
local terms energy: -554.318575
where:
bonds (distance) C4'-P energy: -102.958
bonds (distance) P-C4' energy: -101.200
flat angles C4'-P-C4' energy: -111.558
flat angles P-C4'-P energy: -86.516
tors. eta vs tors. theta energy: -152.087
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: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1866.055133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.055133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.055133 (E_RNA)
where:
Base-Base interactions energy: -1292.314
where: short stacking energy: -517.826
Base-Backbone interact. energy: -1.127
local terms energy: -572.614751
where:
bonds (distance) C4'-P energy: -108.690
bonds (distance) P-C4' energy: -110.208
flat angles C4'-P-C4' energy: -119.141
flat angles P-C4'-P energy: -77.310
tors. eta vs tors. theta energy: -157.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1751.108117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.108117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.108117 (E_RNA)
where:
Base-Base interactions energy: -1200.295
where: short stacking energy: -484.272
Base-Backbone interact. energy: -1.871
local terms energy: -548.942125
where:
bonds (distance) C4'-P energy: -110.607
bonds (distance) P-C4' energy: -116.660
flat angles C4'-P-C4' energy: -119.038
flat angles P-C4'-P energy: -76.356
tors. eta vs tors. theta energy: -126.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1475.267552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.267552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.267552 (E_RNA)
where:
Base-Base interactions energy: -987.099
where: short stacking energy: -419.324
Base-Backbone interact. energy: -2.492
local terms energy: -485.677047
where:
bonds (distance) C4'-P energy: -94.815
bonds (distance) P-C4' energy: -120.448
flat angles C4'-P-C4' energy: -111.729
flat angles P-C4'-P energy: -61.795
tors. eta vs tors. theta energy: -96.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1417.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.097357 (E_RNA)
where:
Base-Base interactions energy: -975.723
where: short stacking energy: -397.752
Base-Backbone interact. energy: -0.247
local terms energy: -441.127618
where:
bonds (distance) C4'-P energy: -94.892
bonds (distance) P-C4' energy: -95.169
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -89.800
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: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1219.343292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.343292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.343292 (E_RNA)
where:
Base-Base interactions energy: -801.996
where: short stacking energy: -357.441
Base-Backbone interact. energy: 2.045
local terms energy: -419.392341
where:
bonds (distance) C4'-P energy: -90.663
bonds (distance) P-C4' energy: -87.940
flat angles C4'-P-C4' energy: -96.962
flat angles P-C4'-P energy: -60.559
tors. eta vs tors. theta energy: -83.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -821.689414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.689414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.689414 (E_RNA)
where:
Base-Base interactions energy: -467.385
where: short stacking energy: -228.572
Base-Backbone interact. energy: -2.871
local terms energy: -351.433084
where:
bonds (distance) C4'-P energy: -101.778
bonds (distance) P-C4' energy: -97.803
flat angles C4'-P-C4' energy: -77.999
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -850.159698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.159698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.159698 (E_RNA)
where:
Base-Base interactions energy: -489.374
where: short stacking energy: -236.269
Base-Backbone interact. energy: 2.868
local terms energy: -363.653674
where:
bonds (distance) C4'-P energy: -91.206
bonds (distance) P-C4' energy: -91.219
flat angles C4'-P-C4' energy: -92.405
flat angles P-C4'-P energy: -60.638
tors. eta vs tors. theta energy: -28.185
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2130.803095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.803095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.803095 (E_RNA)
where:
Base-Base interactions energy: -1511.613
where: short stacking energy: -603.001
Base-Backbone interact. energy: -6.388
local terms energy: -612.802177
where:
bonds (distance) C4'-P energy: -113.272
bonds (distance) P-C4' energy: -114.746
flat angles C4'-P-C4' energy: -126.981
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -177.275
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: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2012.716397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.716397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.716397 (E_RNA)
where:
Base-Base interactions energy: -1401.812
where: short stacking energy: -587.177
Base-Backbone interact. energy: -4.580
local terms energy: -606.324804
where:
bonds (distance) C4'-P energy: -105.108
bonds (distance) P-C4' energy: -100.997
flat angles C4'-P-C4' energy: -138.202
flat angles P-C4'-P energy: -96.070
tors. eta vs tors. theta energy: -165.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1893.703571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.703571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.703571 (E_RNA)
where:
Base-Base interactions energy: -1316.710
where: short stacking energy: -525.463
Base-Backbone interact. energy: -4.459
local terms energy: -572.534362
where:
bonds (distance) C4'-P energy: -118.022
bonds (distance) P-C4' energy: -110.185
flat angles C4'-P-C4' energy: -119.684
flat angles P-C4'-P energy: -73.515
tors. eta vs tors. theta energy: -151.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1846.228093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.228093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.228093 (E_RNA)
where:
Base-Base interactions energy: -1299.200
where: short stacking energy: -524.501
Base-Backbone interact. energy: -4.607
local terms energy: -542.421147
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -89.350
flat angles C4'-P-C4' energy: -121.703
flat angles P-C4'-P energy: -79.813
tors. eta vs tors. theta energy: -156.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1703.023434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.023434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.023434 (E_RNA)
where:
Base-Base interactions energy: -1177.839
where: short stacking energy: -474.311
Base-Backbone interact. energy: -1.721
local terms energy: -523.463552
where:
bonds (distance) C4'-P energy: -107.840
bonds (distance) P-C4' energy: -96.147
flat angles C4'-P-C4' energy: -126.829
flat angles P-C4'-P energy: -65.732
tors. eta vs tors. theta energy: -126.915
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1486.315227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.315227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.315227 (E_RNA)
where:
Base-Base interactions energy: -975.694
where: short stacking energy: -435.627
Base-Backbone interact. energy: 0.378
local terms energy: -510.999777
where:
bonds (distance) C4'-P energy: -100.500
bonds (distance) P-C4' energy: -111.628
flat angles C4'-P-C4' energy: -114.442
flat angles P-C4'-P energy: -74.469
tors. eta vs tors. theta energy: -109.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1409.337292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.337292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.337292 (E_RNA)
where:
Base-Base interactions energy: -946.588
where: short stacking energy: -394.510
Base-Backbone interact. energy: -3.821
local terms energy: -458.928468
where:
bonds (distance) C4'-P energy: -95.037
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -103.193
flat angles P-C4'-P energy: -73.276
tors. eta vs tors. theta energy: -99.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1184.080092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.080092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.080092 (E_RNA)
where:
Base-Base interactions energy: -754.254
where: short stacking energy: -351.182
Base-Backbone interact. energy: -2.519
local terms energy: -427.307461
where:
bonds (distance) C4'-P energy: -74.465
bonds (distance) P-C4' energy: -98.727
flat angles C4'-P-C4' energy: -103.548
flat angles P-C4'-P energy: -70.804
tors. eta vs tors. theta energy: -79.764
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: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -858.839569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.839569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.839569 (E_RNA)
where:
Base-Base interactions energy: -497.019
where: short stacking energy: -242.965
Base-Backbone interact. energy: 1.022
local terms energy: -362.842721
where:
bonds (distance) C4'-P energy: -94.146
bonds (distance) P-C4' energy: -110.007
flat angles C4'-P-C4' energy: -84.381
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -24.012
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: 81
Temperature: 1.350000
Total energy: -852.879760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.879760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.879760 (E_RNA)
where:
Base-Base interactions energy: -501.782
where: short stacking energy: -242.995
Base-Backbone interact. energy: 0.830
local terms energy: -351.927375
where:
bonds (distance) C4'-P energy: -94.074
bonds (distance) P-C4' energy: -102.995
flat angles C4'-P-C4' energy: -77.971
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -35.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2148.377194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.377194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.377194 (E_RNA)
where:
Base-Base interactions energy: -1516.627
where: short stacking energy: -613.537
Base-Backbone interact. energy: -0.703
local terms energy: -631.046777
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -120.830
flat angles C4'-P-C4' energy: -130.862
flat angles P-C4'-P energy: -87.419
tors. eta vs tors. theta energy: -172.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2007.401865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.401865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.401865 (E_RNA)
where:
Base-Base interactions energy: -1422.320
where: short stacking energy: -565.874
Base-Backbone interact. energy: -0.375
local terms energy: -584.707021
where:
bonds (distance) C4'-P energy: -105.570
bonds (distance) P-C4' energy: -120.134
flat angles C4'-P-C4' energy: -118.981
flat angles P-C4'-P energy: -80.562
tors. eta vs tors. theta energy: -159.461
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: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1910.675216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.675216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.675216 (E_RNA)
where:
Base-Base interactions energy: -1313.988
where: short stacking energy: -532.409
Base-Backbone interact. energy: -1.777
local terms energy: -594.909994
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -124.032
flat angles C4'-P-C4' energy: -115.145
flat angles P-C4'-P energy: -79.272
tors. eta vs tors. theta energy: -162.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1864.177486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.177486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.177486 (E_RNA)
where:
Base-Base interactions energy: -1314.996
where: short stacking energy: -559.104
Base-Backbone interact. energy: 0.241
local terms energy: -549.422323
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -106.611
flat angles C4'-P-C4' energy: -113.926
flat angles P-C4'-P energy: -88.336
tors. eta vs tors. theta energy: -147.562
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1713.037089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.037089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.037089 (E_RNA)
where:
Base-Base interactions energy: -1177.435
where: short stacking energy: -492.827
Base-Backbone interact. energy: 2.663
local terms energy: -538.265784
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -108.978
flat angles C4'-P-C4' energy: -118.435
flat angles P-C4'-P energy: -71.554
tors. eta vs tors. theta energy: -130.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1506.672705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.672705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.672705 (E_RNA)
where:
Base-Base interactions energy: -999.748
where: short stacking energy: -452.621
Base-Backbone interact. energy: -2.632
local terms energy: -504.292528
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -105.170
flat angles C4'-P-C4' energy: -107.517
flat angles P-C4'-P energy: -68.058
tors. eta vs tors. theta energy: -115.191
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: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1449.163991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.163991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.163991 (E_RNA)
where:
Base-Base interactions energy: -970.930
where: short stacking energy: -410.251
Base-Backbone interact. energy: -2.145
local terms energy: -476.089479
where:
bonds (distance) C4'-P energy: -84.783
bonds (distance) P-C4' energy: -97.257
flat angles C4'-P-C4' energy: -117.753
flat angles P-C4'-P energy: -80.397
tors. eta vs tors. theta energy: -95.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1208.121824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.121824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.121824 (E_RNA)
where:
Base-Base interactions energy: -785.151
where: short stacking energy: -351.699
Base-Backbone interact. energy: -2.341
local terms energy: -420.629932
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -106.207
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: -69.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -922.036973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.036973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.036973 (E_RNA)
where:
Base-Base interactions energy: -532.670
where: short stacking energy: -244.668
Base-Backbone interact. energy: -3.383
local terms energy: -385.983595
where:
bonds (distance) C4'-P energy: -102.716
bonds (distance) P-C4' energy: -99.891
flat angles C4'-P-C4' energy: -95.616
flat angles P-C4'-P energy: -54.835
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -834.349000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.349000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.349000 (E_RNA)
where:
Base-Base interactions energy: -497.540
where: short stacking energy: -251.496
Base-Backbone interact. energy: -0.458
local terms energy: -336.350760
where:
bonds (distance) C4'-P energy: -78.363
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -48.980
tors. eta vs tors. theta energy: -32.594
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: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2138.238698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.238698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.238698 (E_RNA)
where:
Base-Base interactions energy: -1498.825
where: short stacking energy: -579.458
Base-Backbone interact. energy: -4.366
local terms energy: -635.046918
where:
bonds (distance) C4'-P energy: -119.542
bonds (distance) P-C4' energy: -112.315
flat angles C4'-P-C4' energy: -132.285
flat angles P-C4'-P energy: -98.311
tors. eta vs tors. theta energy: -172.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2018.890824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.890824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.890824 (E_RNA)
where:
Base-Base interactions energy: -1429.214
where: short stacking energy: -568.826
Base-Backbone interact. energy: -6.627
local terms energy: -583.050393
where:
bonds (distance) C4'-P energy: -110.114
bonds (distance) P-C4' energy: -107.261
flat angles C4'-P-C4' energy: -121.241
flat angles P-C4'-P energy: -84.089
tors. eta vs tors. theta energy: -160.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1905.613173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.613173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.613173 (E_RNA)
where:
Base-Base interactions energy: -1311.655
where: short stacking energy: -558.428
Base-Backbone interact. energy: -3.046
local terms energy: -590.911613
where:
bonds (distance) C4'-P energy: -111.265
bonds (distance) P-C4' energy: -99.245
flat angles C4'-P-C4' energy: -136.438
flat angles P-C4'-P energy: -79.104
tors. eta vs tors. theta energy: -164.860
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1839.159647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.159647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.159647 (E_RNA)
where:
Base-Base interactions energy: -1293.066
where: short stacking energy: -523.769
Base-Backbone interact. energy: 3.420
local terms energy: -549.514043
where:
bonds (distance) C4'-P energy: -102.292
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -110.705
flat angles P-C4'-P energy: -87.334
tors. eta vs tors. theta energy: -156.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1697.290549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.290549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.290549 (E_RNA)
where:
Base-Base interactions energy: -1180.420
where: short stacking energy: -458.497
Base-Backbone interact. energy: -1.900
local terms energy: -514.971003
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -117.573
flat angles C4'-P-C4' energy: -106.505
flat angles P-C4'-P energy: -66.226
tors. eta vs tors. theta energy: -125.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1468.835900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.835900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.835900 (E_RNA)
where:
Base-Base interactions energy: -1000.844
where: short stacking energy: -416.490
Base-Backbone interact. energy: 1.213
local terms energy: -469.205297
where:
bonds (distance) C4'-P energy: -86.588
bonds (distance) P-C4' energy: -109.171
flat angles C4'-P-C4' energy: -117.668
flat angles P-C4'-P energy: -60.219
tors. eta vs tors. theta energy: -95.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1406.562059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.562059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.562059 (E_RNA)
where:
Base-Base interactions energy: -920.462
where: short stacking energy: -379.804
Base-Backbone interact. energy: -2.050
local terms energy: -484.049996
where:
bonds (distance) C4'-P energy: -97.666
bonds (distance) P-C4' energy: -103.537
flat angles C4'-P-C4' energy: -106.485
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -97.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1183.589501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.589501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.589501 (E_RNA)
where:
Base-Base interactions energy: -755.981
where: short stacking energy: -322.516
Base-Backbone interact. energy: 0.389
local terms energy: -427.997577
where:
bonds (distance) C4'-P energy: -101.584
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -92.340
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -64.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -933.419785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.419785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.419785 (E_RNA)
where:
Base-Base interactions energy: -554.141
where: short stacking energy: -221.904
Base-Backbone interact. energy: -1.418
local terms energy: -377.860772
where:
bonds (distance) C4'-P energy: -89.147
bonds (distance) P-C4' energy: -108.694
flat angles C4'-P-C4' energy: -88.432
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -24.393
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -839.501038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.501038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.501038 (E_RNA)
where:
Base-Base interactions energy: -490.402
where: short stacking energy: -257.884
Base-Backbone interact. energy: -1.500
local terms energy: -347.598209
where:
bonds (distance) C4'-P energy: -96.071
bonds (distance) P-C4' energy: -89.763
flat angles C4'-P-C4' energy: -87.532
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: -28.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2125.252817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.252817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.252817 (E_RNA)
where:
Base-Base interactions energy: -1501.252
where: short stacking energy: -597.540
Base-Backbone interact. energy: -4.569
local terms energy: -619.432273
where:
bonds (distance) C4'-P energy: -109.228
bonds (distance) P-C4' energy: -108.699
flat angles C4'-P-C4' energy: -134.649
flat angles P-C4'-P energy: -93.591
tors. eta vs tors. theta energy: -173.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2015.639139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.639139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.639139 (E_RNA)
where:
Base-Base interactions energy: -1396.385
where: short stacking energy: -550.175
Base-Backbone interact. energy: -4.358
local terms energy: -614.895498
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -111.569
flat angles C4'-P-C4' energy: -132.839
flat angles P-C4'-P energy: -92.682
tors. eta vs tors. theta energy: -165.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1914.435167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.435167 (E_RNA)
where:
Base-Base interactions energy: -1344.325
where: short stacking energy: -547.492
Base-Backbone interact. energy: -6.513
local terms energy: -563.597108
where:
bonds (distance) C4'-P energy: -99.938
bonds (distance) P-C4' energy: -107.558
flat angles C4'-P-C4' energy: -131.307
flat angles P-C4'-P energy: -77.227
tors. eta vs tors. theta energy: -147.567
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1865.510381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.510381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.510381 (E_RNA)
where:
Base-Base interactions energy: -1309.938
where: short stacking energy: -520.328
Base-Backbone interact. energy: 4.096
local terms energy: -559.668485
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -110.676
flat angles C4'-P-C4' energy: -120.406
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -151.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1731.194889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.194889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.194889 (E_RNA)
where:
Base-Base interactions energy: -1191.540
where: short stacking energy: -482.916
Base-Backbone interact. energy: -2.800
local terms energy: -536.854561
where:
bonds (distance) C4'-P energy: -102.522
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -108.944
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -137.453
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: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1496.901982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.901982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.901982 (E_RNA)
where:
Base-Base interactions energy: -1025.701
where: short stacking energy: -425.744
Base-Backbone interact. energy: -1.598
local terms energy: -469.602673
where:
bonds (distance) C4'-P energy: -82.987
bonds (distance) P-C4' energy: -110.335
flat angles C4'-P-C4' energy: -105.153
flat angles P-C4'-P energy: -70.598
tors. eta vs tors. theta energy: -100.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1365.078971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.078971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.078971 (E_RNA)
where:
Base-Base interactions energy: -902.293
where: short stacking energy: -378.018
Base-Backbone interact. energy: 2.129
local terms energy: -464.915031
where:
bonds (distance) C4'-P energy: -95.746
bonds (distance) P-C4' energy: -110.013
flat angles C4'-P-C4' energy: -114.884
flat angles P-C4'-P energy: -63.564
tors. eta vs tors. theta energy: -80.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1158.962420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.962420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.962420 (E_RNA)
where:
Base-Base interactions energy: -744.109
where: short stacking energy: -320.044
Base-Backbone interact. energy: 0.132
local terms energy: -414.985292
where:
bonds (distance) C4'-P energy: -97.140
bonds (distance) P-C4' energy: -100.560
flat angles C4'-P-C4' energy: -94.268
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: -66.617
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: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1010.500544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.500544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.500544 (E_RNA)
where:
Base-Base interactions energy: -609.677
where: short stacking energy: -266.507
Base-Backbone interact. energy: -3.074
local terms energy: -397.749559
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -93.600
flat angles C4'-P-C4' energy: -112.645
flat angles P-C4'-P energy: -82.557
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -816.772914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.772914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.772914 (E_RNA)
where:
Base-Base interactions energy: -446.383
where: short stacking energy: -246.693
Base-Backbone interact. energy: -3.631
local terms energy: -366.758930
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -104.083
flat angles C4'-P-C4' energy: -100.887
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -29.431
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: 85
Temperature: 0.900000
Total energy: -2137.148883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.148883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.148883 (E_RNA)
where:
Base-Base interactions energy: -1490.415
where: short stacking energy: -588.908
Base-Backbone interact. energy: -3.373
local terms energy: -643.361247
where:
bonds (distance) C4'-P energy: -123.289
bonds (distance) P-C4' energy: -117.731
flat angles C4'-P-C4' energy: -138.015
flat angles P-C4'-P energy: -88.391
tors. eta vs tors. theta energy: -175.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2011.991952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.991952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.991952 (E_RNA)
where:
Base-Base interactions energy: -1394.089
where: short stacking energy: -564.828
Base-Backbone interact. energy: -4.116
local terms energy: -613.787192
where:
bonds (distance) C4'-P energy: -111.264
bonds (distance) P-C4' energy: -128.003
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -90.288
tors. eta vs tors. theta energy: -165.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1895.823950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.823950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.823950 (E_RNA)
where:
Base-Base interactions energy: -1320.757
where: short stacking energy: -545.969
Base-Backbone interact. energy: -3.801
local terms energy: -571.265483
where:
bonds (distance) C4'-P energy: -105.065
bonds (distance) P-C4' energy: -105.575
flat angles C4'-P-C4' energy: -117.255
flat angles P-C4'-P energy: -80.473
tors. eta vs tors. theta energy: -162.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1878.361189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.361189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.361189 (E_RNA)
where:
Base-Base interactions energy: -1300.237
where: short stacking energy: -524.244
Base-Backbone interact. energy: 6.207
local terms energy: -584.331114
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -125.972
flat angles C4'-P-C4' energy: -126.183
flat angles P-C4'-P energy: -82.074
tors. eta vs tors. theta energy: -152.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1686.755554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.755554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.755554 (E_RNA)
where:
Base-Base interactions energy: -1167.917
where: short stacking energy: -488.275
Base-Backbone interact. energy: -1.271
local terms energy: -517.567752
where:
bonds (distance) C4'-P energy: -97.089
bonds (distance) P-C4' energy: -102.688
flat angles C4'-P-C4' energy: -118.566
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -126.669
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: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1489.047962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.047962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.047962 (E_RNA)
where:
Base-Base interactions energy: -1005.093
where: short stacking energy: -423.223
Base-Backbone interact. energy: 4.751
local terms energy: -488.706588
where:
bonds (distance) C4'-P energy: -89.513
bonds (distance) P-C4' energy: -112.197
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -70.350
tors. eta vs tors. theta energy: -93.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1396.954109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.954109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.954109 (E_RNA)
where:
Base-Base interactions energy: -933.489
where: short stacking energy: -395.844
Base-Backbone interact. energy: 0.555
local terms energy: -464.019504
where:
bonds (distance) C4'-P energy: -80.733
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -103.783
flat angles P-C4'-P energy: -69.533
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1244.475144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.475144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.475144 (E_RNA)
where:
Base-Base interactions energy: -822.902
where: short stacking energy: -362.887
Base-Backbone interact. energy: 2.203
local terms energy: -423.776417
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -93.296
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -81.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -966.149077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.149077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.149077 (E_RNA)
where:
Base-Base interactions energy: -576.986
where: short stacking energy: -258.677
Base-Backbone interact. energy: -0.740
local terms energy: -388.423331
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -97.267
flat angles C4'-P-C4' energy: -93.867
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -40.776
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -833.725198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.725198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.725198 (E_RNA)
where:
Base-Base interactions energy: -486.296
where: short stacking energy: -233.910
Base-Backbone interact. energy: 2.595
local terms energy: -350.024144
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -98.742
flat angles C4'-P-C4' energy: -88.120
flat angles P-C4'-P energy: -57.084
tors. eta vs tors. theta energy: -18.353
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: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2121.645902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.645902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.645902 (E_RNA)
where:
Base-Base interactions energy: -1496.520
where: short stacking energy: -589.892
Base-Backbone interact. energy: -3.570
local terms energy: -621.556280
where:
bonds (distance) C4'-P energy: -102.850
bonds (distance) P-C4' energy: -121.273
flat angles C4'-P-C4' energy: -137.034
flat angles P-C4'-P energy: -91.298
tors. eta vs tors. theta energy: -169.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2044.767178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.767178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.767178 (E_RNA)
where:
Base-Base interactions energy: -1433.654
where: short stacking energy: -574.369
Base-Backbone interact. energy: -4.101
local terms energy: -607.012634
where:
bonds (distance) C4'-P energy: -106.438
bonds (distance) P-C4' energy: -111.334
flat angles C4'-P-C4' energy: -132.287
flat angles P-C4'-P energy: -90.070
tors. eta vs tors. theta energy: -166.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1885.635222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.635222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.635222 (E_RNA)
where:
Base-Base interactions energy: -1306.297
where: short stacking energy: -525.331
Base-Backbone interact. energy: -1.991
local terms energy: -577.347553
where:
bonds (distance) C4'-P energy: -104.125
bonds (distance) P-C4' energy: -117.084
flat angles C4'-P-C4' energy: -127.618
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -145.434
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: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1897.967336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.967336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.967336 (E_RNA)
where:
Base-Base interactions energy: -1344.782
where: short stacking energy: -550.728
Base-Backbone interact. energy: -4.704
local terms energy: -548.480969
where:
bonds (distance) C4'-P energy: -111.233
bonds (distance) P-C4' energy: -87.899
flat angles C4'-P-C4' energy: -121.093
flat angles P-C4'-P energy: -75.342
tors. eta vs tors. theta energy: -152.913
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: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1706.737270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.737270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.737270 (E_RNA)
where:
Base-Base interactions energy: -1174.119
where: short stacking energy: -470.081
Base-Backbone interact. energy: -2.025
local terms energy: -530.592754
where:
bonds (distance) C4'-P energy: -113.547
bonds (distance) P-C4' energy: -89.967
flat angles C4'-P-C4' energy: -107.300
flat angles P-C4'-P energy: -81.089
tors. eta vs tors. theta energy: -138.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1499.455829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.455829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.455829 (E_RNA)
where:
Base-Base interactions energy: -1012.270
where: short stacking energy: -427.899
Base-Backbone interact. energy: -2.015
local terms energy: -485.170517
where:
bonds (distance) C4'-P energy: -106.567
bonds (distance) P-C4' energy: -94.554
flat angles C4'-P-C4' energy: -105.366
flat angles P-C4'-P energy: -74.621
tors. eta vs tors. theta energy: -104.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1413.573781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.573781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.573781 (E_RNA)
where:
Base-Base interactions energy: -953.273
where: short stacking energy: -409.898
Base-Backbone interact. energy: -2.398
local terms energy: -457.902591
where:
bonds (distance) C4'-P energy: -120.072
bonds (distance) P-C4' energy: -65.919
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -95.812
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: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1206.229000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.229000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.229000 (E_RNA)
where:
Base-Base interactions energy: -774.199
where: short stacking energy: -364.101
Base-Backbone interact. energy: 2.284
local terms energy: -434.313614
where:
bonds (distance) C4'-P energy: -96.642
bonds (distance) P-C4' energy: -108.688
flat angles C4'-P-C4' energy: -103.742
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -62.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -873.318460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.318460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.318460 (E_RNA)
where:
Base-Base interactions energy: -503.752
where: short stacking energy: -252.292
Base-Backbone interact. energy: -0.195
local terms energy: -369.371748
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -89.094
flat angles C4'-P-C4' energy: -100.297
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -29.423
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: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -890.433097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.433097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.433097 (E_RNA)
where:
Base-Base interactions energy: -524.022
where: short stacking energy: -250.079
Base-Backbone interact. energy: 0.470
local terms energy: -366.881815
where:
bonds (distance) C4'-P energy: -95.907
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -80.128
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2109.190414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.190414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.190414 (E_RNA)
where:
Base-Base interactions energy: -1484.819
where: short stacking energy: -576.695
Base-Backbone interact. energy: -2.719
local terms energy: -621.652608
where:
bonds (distance) C4'-P energy: -116.430
bonds (distance) P-C4' energy: -117.414
flat angles C4'-P-C4' energy: -124.158
flat angles P-C4'-P energy: -94.544
tors. eta vs tors. theta energy: -169.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1990.972024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.972024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.972024 (E_RNA)
where:
Base-Base interactions energy: -1394.258
where: short stacking energy: -555.096
Base-Backbone interact. energy: -4.074
local terms energy: -592.640337
where:
bonds (distance) C4'-P energy: -115.250
bonds (distance) P-C4' energy: -115.748
flat angles C4'-P-C4' energy: -131.756
flat angles P-C4'-P energy: -75.399
tors. eta vs tors. theta energy: -154.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1898.831046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.831046 (E_RNA)
where:
Base-Base interactions energy: -1307.813
where: short stacking energy: -552.040
Base-Backbone interact. energy: -0.869
local terms energy: -590.148970
where:
bonds (distance) C4'-P energy: -109.549
bonds (distance) P-C4' energy: -115.107
flat angles C4'-P-C4' energy: -136.191
flat angles P-C4'-P energy: -82.144
tors. eta vs tors. theta energy: -147.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1851.363117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.363117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.363117 (E_RNA)
where:
Base-Base interactions energy: -1297.860
where: short stacking energy: -524.762
Base-Backbone interact. energy: 1.820
local terms energy: -555.323141
where:
bonds (distance) C4'-P energy: -106.972
bonds (distance) P-C4' energy: -98.878
flat angles C4'-P-C4' energy: -120.258
flat angles P-C4'-P energy: -81.900
tors. eta vs tors. theta energy: -147.314
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: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1769.733317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.733317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.733317 (E_RNA)
where:
Base-Base interactions energy: -1243.586
where: short stacking energy: -506.030
Base-Backbone interact. energy: -1.959
local terms energy: -524.188847
where:
bonds (distance) C4'-P energy: -111.877
bonds (distance) P-C4' energy: -93.439
flat angles C4'-P-C4' energy: -106.346
flat angles P-C4'-P energy: -67.108
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: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1524.694369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.694369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.694369 (E_RNA)
where:
Base-Base interactions energy: -1042.387
where: short stacking energy: -435.703
Base-Backbone interact. energy: 1.008
local terms energy: -483.315831
where:
bonds (distance) C4'-P energy: -96.122
bonds (distance) P-C4' energy: -94.104
flat angles C4'-P-C4' energy: -121.037
flat angles P-C4'-P energy: -65.127
tors. eta vs tors. theta energy: -106.925
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1387.605036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.605036 (E_RNA)
where:
Base-Base interactions energy: -937.022
where: short stacking energy: -402.029
Base-Backbone interact. energy: -0.900
local terms energy: -449.682889
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -90.198
flat angles C4'-P-C4' energy: -106.768
flat angles P-C4'-P energy: -55.352
tors. eta vs tors. theta energy: -101.234
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1167.346869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.346869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.346869 (E_RNA)
where:
Base-Base interactions energy: -748.002
where: short stacking energy: -326.612
Base-Backbone interact. energy: -1.594
local terms energy: -417.751337
where:
bonds (distance) C4'-P energy: -94.582
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -89.918
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -74.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -906.264788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.264788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.264788 (E_RNA)
where:
Base-Base interactions energy: -541.674
where: short stacking energy: -266.814
Base-Backbone interact. energy: 2.605
local terms energy: -367.195187
where:
bonds (distance) C4'-P energy: -99.742
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -81.948
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -37.842
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -918.465753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.465753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.465753 (E_RNA)
where:
Base-Base interactions energy: -577.869
where: short stacking energy: -254.876
Base-Backbone interact. energy: -1.006
local terms energy: -339.590698
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -81.181
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: -28.826
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: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2124.656202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.656202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.656202 (E_RNA)
where:
Base-Base interactions energy: -1491.348
where: short stacking energy: -596.679
Base-Backbone interact. energy: -1.417
local terms energy: -631.890433
where:
bonds (distance) C4'-P energy: -116.233
bonds (distance) P-C4' energy: -128.081
flat angles C4'-P-C4' energy: -130.435
flat angles P-C4'-P energy: -81.928
tors. eta vs tors. theta energy: -175.214
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: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2035.799312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.799312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.799312 (E_RNA)
where:
Base-Base interactions energy: -1423.739
where: short stacking energy: -584.172
Base-Backbone interact. energy: 0.326
local terms energy: -612.386177
where:
bonds (distance) C4'-P energy: -112.502
bonds (distance) P-C4' energy: -115.967
flat angles C4'-P-C4' energy: -123.449
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -168.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1913.979733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.979733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.979733 (E_RNA)
where:
Base-Base interactions energy: -1334.006
where: short stacking energy: -550.013
Base-Backbone interact. energy: -1.457
local terms energy: -578.517041
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -132.437
flat angles P-C4'-P energy: -79.529
tors. eta vs tors. theta energy: -160.377
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1832.976651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.976651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.976651 (E_RNA)
where:
Base-Base interactions energy: -1282.535
where: short stacking energy: -516.798
Base-Backbone interact. energy: -1.045
local terms energy: -549.397148
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -79.706
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1778.723996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.723996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.723996 (E_RNA)
where:
Base-Base interactions energy: -1238.507
where: short stacking energy: -490.581
Base-Backbone interact. energy: -2.231
local terms energy: -537.985739
where:
bonds (distance) C4'-P energy: -107.722
bonds (distance) P-C4' energy: -114.430
flat angles C4'-P-C4' energy: -114.838
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: -124.501
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: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1481.477818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.477818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.477818 (E_RNA)
where:
Base-Base interactions energy: -988.540
where: short stacking energy: -422.288
Base-Backbone interact. energy: 2.620
local terms energy: -495.558221
where:
bonds (distance) C4'-P energy: -98.371
bonds (distance) P-C4' energy: -108.081
flat angles C4'-P-C4' energy: -107.584
flat angles P-C4'-P energy: -78.639
tors. eta vs tors. theta energy: -102.883
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: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1454.173636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.173636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.173636 (E_RNA)
where:
Base-Base interactions energy: -956.387
where: short stacking energy: -424.170
Base-Backbone interact. energy: -0.274
local terms energy: -497.512808
where:
bonds (distance) C4'-P energy: -77.604
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -112.604
flat angles P-C4'-P energy: -84.109
tors. eta vs tors. theta energy: -106.532
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: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1167.848657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.848657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.848657 (E_RNA)
where:
Base-Base interactions energy: -776.310
where: short stacking energy: -354.567
Base-Backbone interact. energy: -2.640
local terms energy: -388.898897
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -82.429
flat angles P-C4'-P energy: -65.140
tors. eta vs tors. theta energy: -65.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -942.803872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.803872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.803872 (E_RNA)
where:
Base-Base interactions energy: -587.147
where: short stacking energy: -285.719
Base-Backbone interact. energy: 0.130
local terms energy: -355.786741
where:
bonds (distance) C4'-P energy: -92.277
bonds (distance) P-C4' energy: -88.919
flat angles C4'-P-C4' energy: -94.155
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -36.527
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: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -932.046335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.046335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.046335 (E_RNA)
where:
Base-Base interactions energy: -602.554
where: short stacking energy: -271.421
Base-Backbone interact. energy: -1.947
local terms energy: -327.545133
where:
bonds (distance) C4'-P energy: -89.728
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -76.521
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -36.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2152.054624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.054624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.054624 (E_RNA)
where:
Base-Base interactions energy: -1504.925
where: short stacking energy: -599.073
Base-Backbone interact. energy: -5.224
local terms energy: -641.905837
where:
bonds (distance) C4'-P energy: -116.604
bonds (distance) P-C4' energy: -125.506
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -183.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2026.144523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.144523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.144523 (E_RNA)
where:
Base-Base interactions energy: -1421.727
where: short stacking energy: -580.066
Base-Backbone interact. energy: -6.343
local terms energy: -598.074834
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -104.449
flat angles C4'-P-C4' energy: -130.605
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -169.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1935.709392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.709392 (E_RNA)
where:
Base-Base interactions energy: -1339.880
where: short stacking energy: -552.507
Base-Backbone interact. energy: -3.613
local terms energy: -592.216206
where:
bonds (distance) C4'-P energy: -109.732
bonds (distance) P-C4' energy: -109.594
flat angles C4'-P-C4' energy: -125.335
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -164.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1833.755299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.755299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.755299 (E_RNA)
where:
Base-Base interactions energy: -1301.855
where: short stacking energy: -536.444
Base-Backbone interact. energy: 0.593
local terms energy: -532.493297
where:
bonds (distance) C4'-P energy: -96.032
bonds (distance) P-C4' energy: -116.205
flat angles C4'-P-C4' energy: -115.268
flat angles P-C4'-P energy: -69.074
tors. eta vs tors. theta energy: -135.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1723.381187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.381187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.381187 (E_RNA)
where:
Base-Base interactions energy: -1189.217
where: short stacking energy: -464.231
Base-Backbone interact. energy: -5.091
local terms energy: -529.073521
where:
bonds (distance) C4'-P energy: -109.738
bonds (distance) P-C4' energy: -104.042
flat angles C4'-P-C4' energy: -123.285
flat angles P-C4'-P energy: -74.103
tors. eta vs tors. theta energy: -117.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1465.801356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.801356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.801356 (E_RNA)
where:
Base-Base interactions energy: -1005.723
where: short stacking energy: -406.272
Base-Backbone interact. energy: -0.276
local terms energy: -459.801855
where:
bonds (distance) C4'-P energy: -106.682
bonds (distance) P-C4' energy: -100.324
flat angles C4'-P-C4' energy: -97.716
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: -105.128
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1417.538532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.538532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.538532 (E_RNA)
where:
Base-Base interactions energy: -926.633
where: short stacking energy: -398.777
Base-Backbone interact. energy: -4.190
local terms energy: -486.715615
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -106.593
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -71.006
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: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1128.295279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.295279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.295279 (E_RNA)
where:
Base-Base interactions energy: -738.138
where: short stacking energy: -308.483
Base-Backbone interact. energy: 7.216
local terms energy: -397.373269
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -99.940
flat angles C4'-P-C4' energy: -92.578
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -54.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -865.326599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.326599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.326599 (E_RNA)
where:
Base-Base interactions energy: -478.498
where: short stacking energy: -243.188
Base-Backbone interact. energy: 1.203
local terms energy: -388.032184
where:
bonds (distance) C4'-P energy: -99.814
bonds (distance) P-C4' energy: -105.177
flat angles C4'-P-C4' energy: -89.706
flat angles P-C4'-P energy: -67.444
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -971.654889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.654889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.654889 (E_RNA)
where:
Base-Base interactions energy: -593.802
where: short stacking energy: -269.601
Base-Backbone interact. energy: 0.322
local terms energy: -378.174724
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -93.753
flat angles C4'-P-C4' energy: -93.505
flat angles P-C4'-P energy: -75.790
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2160.277211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.277211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.277211 (E_RNA)
where:
Base-Base interactions energy: -1535.906
where: short stacking energy: -609.395
Base-Backbone interact. energy: -2.802
local terms energy: -621.569067
where:
bonds (distance) C4'-P energy: -108.680
bonds (distance) P-C4' energy: -111.510
flat angles C4'-P-C4' energy: -124.132
flat angles P-C4'-P energy: -101.224
tors. eta vs tors. theta energy: -176.022
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: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2012.359725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.359725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.359725 (E_RNA)
where:
Base-Base interactions energy: -1415.324
where: short stacking energy: -560.889
Base-Backbone interact. energy: -2.028
local terms energy: -595.007782
where:
bonds (distance) C4'-P energy: -97.415
bonds (distance) P-C4' energy: -122.715
flat angles C4'-P-C4' energy: -116.187
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -168.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1897.514198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.514198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.514198 (E_RNA)
where:
Base-Base interactions energy: -1313.765
where: short stacking energy: -559.468
Base-Backbone interact. energy: -2.999
local terms energy: -580.750156
where:
bonds (distance) C4'-P energy: -107.356
bonds (distance) P-C4' energy: -118.972
flat angles C4'-P-C4' energy: -132.386
flat angles P-C4'-P energy: -67.044
tors. eta vs tors. theta energy: -154.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1800.147495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.147495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.147495 (E_RNA)
where:
Base-Base interactions energy: -1249.573
where: short stacking energy: -519.330
Base-Backbone interact. energy: -2.284
local terms energy: -548.290254
where:
bonds (distance) C4'-P energy: -110.237
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -118.970
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -144.879
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: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1775.717359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.717359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.717359 (E_RNA)
where:
Base-Base interactions energy: -1237.985
where: short stacking energy: -493.754
Base-Backbone interact. energy: -1.686
local terms energy: -536.045940
where:
bonds (distance) C4'-P energy: -115.563
bonds (distance) P-C4' energy: -95.269
flat angles C4'-P-C4' energy: -107.644
flat angles P-C4'-P energy: -74.900
tors. eta vs tors. theta energy: -142.670
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1516.772725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.772725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.772725 (E_RNA)
where:
Base-Base interactions energy: -1016.493
where: short stacking energy: -434.611
Base-Backbone interact. energy: 2.265
local terms energy: -502.544244
where:
bonds (distance) C4'-P energy: -114.378
bonds (distance) P-C4' energy: -110.531
flat angles C4'-P-C4' energy: -99.087
flat angles P-C4'-P energy: -73.554
tors. eta vs tors. theta energy: -104.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1364.143559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.143559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.143559 (E_RNA)
where:
Base-Base interactions energy: -911.073
where: short stacking energy: -393.911
Base-Backbone interact. energy: -1.533
local terms energy: -451.537493
where:
bonds (distance) C4'-P energy: -99.150
bonds (distance) P-C4' energy: -96.932
flat angles C4'-P-C4' energy: -111.643
flat angles P-C4'-P energy: -70.947
tors. eta vs tors. theta energy: -72.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1123.612046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.612046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.612046 (E_RNA)
where:
Base-Base interactions energy: -730.842
where: short stacking energy: -341.095
Base-Backbone interact. energy: 2.198
local terms energy: -394.968070
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -97.759
flat angles C4'-P-C4' energy: -89.567
flat angles P-C4'-P energy: -61.273
tors. eta vs tors. theta energy: -57.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1047.675966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.675966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.675966 (E_RNA)
where:
Base-Base interactions energy: -648.091
where: short stacking energy: -287.178
Base-Backbone interact. energy: -1.563
local terms energy: -398.022073
where:
bonds (distance) C4'-P energy: -100.291
bonds (distance) P-C4' energy: -89.945
flat angles C4'-P-C4' energy: -101.726
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -50.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -809.047035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.047035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.047035 (E_RNA)
where:
Base-Base interactions energy: -466.623
where: short stacking energy: -217.338
Base-Backbone interact. energy: -0.179
local terms energy: -342.245122
where:
bonds (distance) C4'-P energy: -96.029
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -60.089
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2138.574414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.574414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.574414 (E_RNA)
where:
Base-Base interactions energy: -1516.954
where: short stacking energy: -617.053
Base-Backbone interact. energy: 1.749
local terms energy: -623.369529
where:
bonds (distance) C4'-P energy: -120.231
bonds (distance) P-C4' energy: -116.677
flat angles C4'-P-C4' energy: -128.928
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -171.022
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: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2021.733161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.733161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.733161 (E_RNA)
where:
Base-Base interactions energy: -1408.359
where: short stacking energy: -563.482
Base-Backbone interact. energy: -5.638
local terms energy: -607.736854
where:
bonds (distance) C4'-P energy: -98.709
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -132.942
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -169.903
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1894.543602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.543602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.543602 (E_RNA)
where:
Base-Base interactions energy: -1321.233
where: short stacking energy: -538.157
Base-Backbone interact. energy: -5.404
local terms energy: -567.906167
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -109.787
flat angles C4'-P-C4' energy: -115.645
flat angles P-C4'-P energy: -70.610
tors. eta vs tors. theta energy: -159.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1792.556173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.556173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.556173 (E_RNA)
where:
Base-Base interactions energy: -1216.812
where: short stacking energy: -484.681
Base-Backbone interact. energy: -3.002
local terms energy: -572.742316
where:
bonds (distance) C4'-P energy: -112.367
bonds (distance) P-C4' energy: -119.285
flat angles C4'-P-C4' energy: -117.676
flat angles P-C4'-P energy: -83.057
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: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1786.017179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.017179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.017179 (E_RNA)
where:
Base-Base interactions energy: -1229.909
where: short stacking energy: -493.150
Base-Backbone interact. energy: -1.155
local terms energy: -554.953658
where:
bonds (distance) C4'-P energy: -84.387
bonds (distance) P-C4' energy: -117.323
flat angles C4'-P-C4' energy: -128.957
flat angles P-C4'-P energy: -85.221
tors. eta vs tors. theta energy: -139.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1536.628350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.628350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.628350 (E_RNA)
where:
Base-Base interactions energy: -1016.604
where: short stacking energy: -449.994
Base-Backbone interact. energy: 1.333
local terms energy: -521.357410
where:
bonds (distance) C4'-P energy: -109.250
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -129.314
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -108.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1351.473528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.473528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.473528 (E_RNA)
where:
Base-Base interactions energy: -907.839
where: short stacking energy: -393.640
Base-Backbone interact. energy: 2.942
local terms energy: -446.575977
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -91.103
flat angles P-C4'-P energy: -56.645
tors. eta vs tors. theta energy: -92.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1116.139108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.139108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.139108 (E_RNA)
where:
Base-Base interactions energy: -713.036
where: short stacking energy: -328.900
Base-Backbone interact. energy: -3.232
local terms energy: -399.871149
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -96.987
flat angles C4'-P-C4' energy: -89.940
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -53.114
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1079.921664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.921664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.921664 (E_RNA)
where:
Base-Base interactions energy: -676.903
where: short stacking energy: -296.783
Base-Backbone interact. energy: -3.714
local terms energy: -399.304258
where:
bonds (distance) C4'-P energy: -91.365
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -53.583
tors. eta vs tors. theta energy: -50.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -828.977895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.977895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.977895 (E_RNA)
where:
Base-Base interactions energy: -473.629
where: short stacking energy: -238.116
Base-Backbone interact. energy: -0.045
local terms energy: -355.303974
where:
bonds (distance) C4'-P energy: -85.971
bonds (distance) P-C4' energy: -102.057
flat angles C4'-P-C4' energy: -81.111
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2139.569496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.569496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.569496 (E_RNA)
where:
Base-Base interactions energy: -1498.711
where: short stacking energy: -583.452
Base-Backbone interact. energy: -4.268
local terms energy: -636.590451
where:
bonds (distance) C4'-P energy: -125.764
bonds (distance) P-C4' energy: -119.469
flat angles C4'-P-C4' energy: -127.049
flat angles P-C4'-P energy: -99.860
tors. eta vs tors. theta energy: -164.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2042.069233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.069233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.069233 (E_RNA)
where:
Base-Base interactions energy: -1425.345
where: short stacking energy: -576.787
Base-Backbone interact. energy: -1.395
local terms energy: -615.329350
where:
bonds (distance) C4'-P energy: -119.299
bonds (distance) P-C4' energy: -112.578
flat angles C4'-P-C4' energy: -121.923
flat angles P-C4'-P energy: -92.940
tors. eta vs tors. theta energy: -168.590
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: 92
Temperature: 1.000000
Total energy: -1874.317151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.317151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.317151 (E_RNA)
where:
Base-Base interactions energy: -1288.949
where: short stacking energy: -522.933
Base-Backbone interact. energy: -2.974
local terms energy: -582.393923
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -118.935
flat angles C4'-P-C4' energy: -128.771
flat angles P-C4'-P energy: -81.147
tors. eta vs tors. theta energy: -150.820
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1859.568602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.568602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.568602 (E_RNA)
where:
Base-Base interactions energy: -1289.511
where: short stacking energy: -542.452
Base-Backbone interact. energy: -1.981
local terms energy: -568.076449
where:
bonds (distance) C4'-P energy: -103.718
bonds (distance) P-C4' energy: -109.845
flat angles C4'-P-C4' energy: -132.505
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -150.982
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1700.594330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.594330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.594330 (E_RNA)
where:
Base-Base interactions energy: -1163.074
where: short stacking energy: -444.443
Base-Backbone interact. energy: 3.863
local terms energy: -541.383002
where:
bonds (distance) C4'-P energy: -92.279
bonds (distance) P-C4' energy: -114.717
flat angles C4'-P-C4' energy: -134.365
flat angles P-C4'-P energy: -74.294
tors. eta vs tors. theta energy: -125.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1484.967758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.967758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.967758 (E_RNA)
where:
Base-Base interactions energy: -987.130
where: short stacking energy: -438.180
Base-Backbone interact. energy: -3.123
local terms energy: -494.715507
where:
bonds (distance) C4'-P energy: -98.106
bonds (distance) P-C4' energy: -107.212
flat angles C4'-P-C4' energy: -105.230
flat angles P-C4'-P energy: -71.268
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1377.837161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.837161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.837161 (E_RNA)
where:
Base-Base interactions energy: -932.155
where: short stacking energy: -401.862
Base-Backbone interact. energy: -1.459
local terms energy: -444.223436
where:
bonds (distance) C4'-P energy: -90.254
bonds (distance) P-C4' energy: -98.104
flat angles C4'-P-C4' energy: -107.571
flat angles P-C4'-P energy: -61.808
tors. eta vs tors. theta energy: -86.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1121.327332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.327332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.327332 (E_RNA)
where:
Base-Base interactions energy: -737.546
where: short stacking energy: -349.155
Base-Backbone interact. energy: -2.324
local terms energy: -381.457268
where:
bonds (distance) C4'-P energy: -89.328
bonds (distance) P-C4' energy: -85.054
flat angles C4'-P-C4' energy: -96.596
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -55.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1036.983016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.983016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.983016 (E_RNA)
where:
Base-Base interactions energy: -621.716
where: short stacking energy: -273.070
Base-Backbone interact. energy: -1.089
local terms energy: -414.178436
where:
bonds (distance) C4'-P energy: -96.208
bonds (distance) P-C4' energy: -99.902
flat angles C4'-P-C4' energy: -99.645
flat angles P-C4'-P energy: -64.273
tors. eta vs tors. theta energy: -54.150
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: 92
Temperature: 1.350000
Total energy: -860.141664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.141664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.141664 (E_RNA)
where:
Base-Base interactions energy: -521.798
where: short stacking energy: -267.205
Base-Backbone interact. energy: -2.792
local terms energy: -335.551631
where:
bonds (distance) C4'-P energy: -95.809
bonds (distance) P-C4' energy: -81.771
flat angles C4'-P-C4' energy: -70.099
flat angles P-C4'-P energy: -51.378
tors. eta vs tors. theta energy: -36.495
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: 93
Temperature: 0.900000
Total energy: -2147.038544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.038544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.038544 (E_RNA)
where:
Base-Base interactions energy: -1523.665
where: short stacking energy: -616.938
Base-Backbone interact. energy: 2.504
local terms energy: -625.877698
where:
bonds (distance) C4'-P energy: -120.845
bonds (distance) P-C4' energy: -118.152
flat angles C4'-P-C4' energy: -137.230
flat angles P-C4'-P energy: -87.712
tors. eta vs tors. theta energy: -161.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2021.274140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.274140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.274140 (E_RNA)
where:
Base-Base interactions energy: -1425.039
where: short stacking energy: -585.518
Base-Backbone interact. energy: -2.589
local terms energy: -593.645826
where:
bonds (distance) C4'-P energy: -103.762
bonds (distance) P-C4' energy: -102.668
flat angles C4'-P-C4' energy: -121.065
flat angles P-C4'-P energy: -95.811
tors. eta vs tors. theta energy: -170.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1886.274310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.274310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.274310 (E_RNA)
where:
Base-Base interactions energy: -1287.115
where: short stacking energy: -519.205
Base-Backbone interact. energy: -4.398
local terms energy: -594.760935
where:
bonds (distance) C4'-P energy: -116.058
bonds (distance) P-C4' energy: -108.218
flat angles C4'-P-C4' energy: -129.559
flat angles P-C4'-P energy: -83.159
tors. eta vs tors. theta energy: -157.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1801.487227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.487227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.487227 (E_RNA)
where:
Base-Base interactions energy: -1240.297
where: short stacking energy: -508.517
Base-Backbone interact. energy: -2.351
local terms energy: -558.839122
where:
bonds (distance) C4'-P energy: -124.800
bonds (distance) P-C4' energy: -87.660
flat angles C4'-P-C4' energy: -122.193
flat angles P-C4'-P energy: -83.519
tors. eta vs tors. theta energy: -140.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1681.146022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.146022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.146022 (E_RNA)
where:
Base-Base interactions energy: -1158.488
where: short stacking energy: -457.580
Base-Backbone interact. energy: 1.263
local terms energy: -523.921108
where:
bonds (distance) C4'-P energy: -112.232
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -68.978
tors. eta vs tors. theta energy: -118.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1484.776885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.776885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.776885 (E_RNA)
where:
Base-Base interactions energy: -997.930
where: short stacking energy: -424.771
Base-Backbone interact. energy: -1.917
local terms energy: -484.929803
where:
bonds (distance) C4'-P energy: -91.760
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -113.201
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -104.982
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: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1347.567683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.567683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.567683 (E_RNA)
where:
Base-Base interactions energy: -887.402
where: short stacking energy: -360.619
Base-Backbone interact. energy: -0.672
local terms energy: -459.493998
where:
bonds (distance) C4'-P energy: -103.421
bonds (distance) P-C4' energy: -98.571
flat angles C4'-P-C4' energy: -117.351
flat angles P-C4'-P energy: -57.544
tors. eta vs tors. theta energy: -82.607
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: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1126.955076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.955076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.955076 (E_RNA)
where:
Base-Base interactions energy: -708.898
where: short stacking energy: -329.119
Base-Backbone interact. energy: -0.277
local terms energy: -417.780214
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -105.257
flat angles C4'-P-C4' energy: -98.099
flat angles P-C4'-P energy: -66.595
tors. eta vs tors. theta energy: -56.383
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: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1027.069930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.069930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.069930 (E_RNA)
where:
Base-Base interactions energy: -622.103
where: short stacking energy: -293.665
Base-Backbone interact. energy: -0.538
local terms energy: -404.429564
where:
bonds (distance) C4'-P energy: -82.224
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -90.715
flat angles P-C4'-P energy: -73.738
tors. eta vs tors. theta energy: -52.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -832.543139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.543139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.543139 (E_RNA)
where:
Base-Base interactions energy: -492.842
where: short stacking energy: -252.971
Base-Backbone interact. energy: 0.519
local terms energy: -340.219915
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -88.583
flat angles C4'-P-C4' energy: -87.110
flat angles P-C4'-P energy: -61.478
tors. eta vs tors. theta energy: -20.845
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2156.242492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.242492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.242492 (E_RNA)
where:
Base-Base interactions energy: -1540.876
where: short stacking energy: -593.292
Base-Backbone interact. energy: -4.444
local terms energy: -610.922260
where:
bonds (distance) C4'-P energy: -100.446
bonds (distance) P-C4' energy: -116.499
flat angles C4'-P-C4' energy: -130.738
flat angles P-C4'-P energy: -99.577
tors. eta vs tors. theta energy: -163.662
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: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2018.438760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.438760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.438760 (E_RNA)
where:
Base-Base interactions energy: -1396.566
where: short stacking energy: -555.714
Base-Backbone interact. energy: -2.889
local terms energy: -618.983686
where:
bonds (distance) C4'-P energy: -117.074
bonds (distance) P-C4' energy: -120.268
flat angles C4'-P-C4' energy: -124.605
flat angles P-C4'-P energy: -92.491
tors. eta vs tors. theta energy: -164.545
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: 94
Temperature: 1.000000
Total energy: -1903.756569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.756569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.756569 (E_RNA)
where:
Base-Base interactions energy: -1308.742
where: short stacking energy: -562.946
Base-Backbone interact. energy: -0.336
local terms energy: -594.678593
where:
bonds (distance) C4'-P energy: -117.432
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -135.409
flat angles P-C4'-P energy: -84.831
tors. eta vs tors. theta energy: -146.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1803.130189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.130189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.130189 (E_RNA)
where:
Base-Base interactions energy: -1262.201
where: short stacking energy: -506.800
Base-Backbone interact. energy: -3.511
local terms energy: -537.418572
where:
bonds (distance) C4'-P energy: -109.669
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -118.080
flat angles P-C4'-P energy: -64.189
tors. eta vs tors. theta energy: -138.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1698.035245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.035245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.035245 (E_RNA)
where:
Base-Base interactions energy: -1179.011
where: short stacking energy: -448.252
Base-Backbone interact. energy: -4.030
local terms energy: -514.994223
where:
bonds (distance) C4'-P energy: -105.826
bonds (distance) P-C4' energy: -111.005
flat angles C4'-P-C4' energy: -115.182
flat angles P-C4'-P energy: -63.454
tors. eta vs tors. theta energy: -119.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1486.100358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.100358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.100358 (E_RNA)
where:
Base-Base interactions energy: -982.831
where: short stacking energy: -409.782
Base-Backbone interact. energy: -0.343
local terms energy: -502.926334
where:
bonds (distance) C4'-P energy: -109.973
bonds (distance) P-C4' energy: -103.082
flat angles C4'-P-C4' energy: -123.177
flat angles P-C4'-P energy: -67.042
tors. eta vs tors. theta energy: -99.652
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: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1369.471778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.471778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.471778 (E_RNA)
where:
Base-Base interactions energy: -895.754
where: short stacking energy: -383.728
Base-Backbone interact. energy: -1.231
local terms energy: -472.487398
where:
bonds (distance) C4'-P energy: -89.814
bonds (distance) P-C4' energy: -105.692
flat angles C4'-P-C4' energy: -108.290
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -98.515
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1071.812711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.812711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.812711 (E_RNA)
where:
Base-Base interactions energy: -670.179
where: short stacking energy: -305.656
Base-Backbone interact. energy: 10.717
local terms energy: -412.350866
where:
bonds (distance) C4'-P energy: -85.385
bonds (distance) P-C4' energy: -109.859
flat angles C4'-P-C4' energy: -98.711
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -65.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1045.125465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.125465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.125465 (E_RNA)
where:
Base-Base interactions energy: -639.366
where: short stacking energy: -301.413
Base-Backbone interact. energy: 2.352
local terms energy: -408.111880
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -95.556
flat angles C4'-P-C4' energy: -111.716
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -48.413
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: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -823.905200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.905200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.905200 (E_RNA)
where:
Base-Base interactions energy: -517.194
where: short stacking energy: -232.819
Base-Backbone interact. energy: 2.605
local terms energy: -309.315759
where:
bonds (distance) C4'-P energy: -64.206
bonds (distance) P-C4' energy: -91.031
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -36.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2146.074417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.074417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.074417 (E_RNA)
where:
Base-Base interactions energy: -1522.112
where: short stacking energy: -592.670
Base-Backbone interact. energy: -5.088
local terms energy: -618.873703
where:
bonds (distance) C4'-P energy: -112.279
bonds (distance) P-C4' energy: -116.112
flat angles C4'-P-C4' energy: -136.013
flat angles P-C4'-P energy: -89.856
tors. eta vs tors. theta energy: -164.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2008.051557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.051557 (E_RNA)
where:
Base-Base interactions energy: -1393.562
where: short stacking energy: -573.225
Base-Backbone interact. energy: 0.781
local terms energy: -615.270045
where:
bonds (distance) C4'-P energy: -110.053
bonds (distance) P-C4' energy: -110.730
flat angles C4'-P-C4' energy: -133.167
flat angles P-C4'-P energy: -83.616
tors. eta vs tors. theta energy: -177.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1888.324625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.324625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.324625 (E_RNA)
where:
Base-Base interactions energy: -1289.063
where: short stacking energy: -542.350
Base-Backbone interact. energy: -2.535
local terms energy: -596.726092
where:
bonds (distance) C4'-P energy: -107.427
bonds (distance) P-C4' energy: -116.397
flat angles C4'-P-C4' energy: -128.937
flat angles P-C4'-P energy: -80.196
tors. eta vs tors. theta energy: -163.769
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1817.938199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.938199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.938199 (E_RNA)
where:
Base-Base interactions energy: -1269.211
where: short stacking energy: -518.343
Base-Backbone interact. energy: -0.427
local terms energy: -548.300691
where:
bonds (distance) C4'-P energy: -102.668
bonds (distance) P-C4' energy: -108.246
flat angles C4'-P-C4' energy: -109.989
flat angles P-C4'-P energy: -83.957
tors. eta vs tors. theta energy: -143.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1746.714516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.714516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.714516 (E_RNA)
where:
Base-Base interactions energy: -1209.664
where: short stacking energy: -481.430
Base-Backbone interact. energy: -3.139
local terms energy: -533.911960
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -105.619
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -86.835
tors. eta vs tors. theta energy: -130.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1540.829220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.829220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.829220 (E_RNA)
where:
Base-Base interactions energy: -1029.107
where: short stacking energy: -446.319
Base-Backbone interact. energy: -1.717
local terms energy: -510.004583
where:
bonds (distance) C4'-P energy: -98.904
bonds (distance) P-C4' energy: -106.976
flat angles C4'-P-C4' energy: -120.726
flat angles P-C4'-P energy: -64.820
tors. eta vs tors. theta energy: -118.579
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: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1388.063174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.063174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.063174 (E_RNA)
where:
Base-Base interactions energy: -940.010
where: short stacking energy: -415.886
Base-Backbone interact. energy: 0.035
local terms energy: -448.088023
where:
bonds (distance) C4'-P energy: -85.800
bonds (distance) P-C4' energy: -92.873
flat angles C4'-P-C4' energy: -106.306
flat angles P-C4'-P energy: -67.707
tors. eta vs tors. theta energy: -95.402
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1192.361184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.361184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.361184 (E_RNA)
where:
Base-Base interactions energy: -760.145
where: short stacking energy: -333.215
Base-Backbone interact. energy: 0.385
local terms energy: -432.600872
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -120.206
flat angles C4'-P-C4' energy: -99.052
flat angles P-C4'-P energy: -60.354
tors. eta vs tors. theta energy: -66.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1092.890933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.890933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.890933 (E_RNA)
where:
Base-Base interactions energy: -701.346
where: short stacking energy: -327.286
Base-Backbone interact. energy: -2.233
local terms energy: -389.311556
where:
bonds (distance) C4'-P energy: -99.021
bonds (distance) P-C4' energy: -93.278
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -806.094163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.094163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.094163 (E_RNA)
where:
Base-Base interactions energy: -483.081
where: short stacking energy: -228.151
Base-Backbone interact. energy: -0.533
local terms energy: -322.480179
where:
bonds (distance) C4'-P energy: -90.171
bonds (distance) P-C4' energy: -94.078
flat angles C4'-P-C4' energy: -83.231
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2142.034694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.034694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.034694 (E_RNA)
where:
Base-Base interactions energy: -1509.835
where: short stacking energy: -579.230
Base-Backbone interact. energy: -4.339
local terms energy: -627.860892
where:
bonds (distance) C4'-P energy: -115.990
bonds (distance) P-C4' energy: -117.127
flat angles C4'-P-C4' energy: -126.717
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -163.585
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2007.069554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.069554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.069554 (E_RNA)
where:
Base-Base interactions energy: -1389.486
where: short stacking energy: -573.821
Base-Backbone interact. energy: -2.784
local terms energy: -614.799990
where:
bonds (distance) C4'-P energy: -107.368
bonds (distance) P-C4' energy: -115.351
flat angles C4'-P-C4' energy: -128.162
flat angles P-C4'-P energy: -92.695
tors. eta vs tors. theta energy: -171.224
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: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1882.224368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.224368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.224368 (E_RNA)
where:
Base-Base interactions energy: -1315.706
where: short stacking energy: -536.399
Base-Backbone interact. energy: 3.617
local terms energy: -570.135010
where:
bonds (distance) C4'-P energy: -108.070
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -126.673
flat angles P-C4'-P energy: -73.991
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: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1804.195292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.195292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.195292 (E_RNA)
where:
Base-Base interactions energy: -1262.016
where: short stacking energy: -516.568
Base-Backbone interact. energy: 3.735
local terms energy: -545.914065
where:
bonds (distance) C4'-P energy: -93.924
bonds (distance) P-C4' energy: -114.141
flat angles C4'-P-C4' energy: -121.456
flat angles P-C4'-P energy: -79.977
tors. eta vs tors. theta energy: -136.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1715.350328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.350328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.350328 (E_RNA)
where:
Base-Base interactions energy: -1211.831
where: short stacking energy: -453.669
Base-Backbone interact. energy: -2.575
local terms energy: -500.944103
where:
bonds (distance) C4'-P energy: -105.659
bonds (distance) P-C4' energy: -102.200
flat angles C4'-P-C4' energy: -114.444
flat angles P-C4'-P energy: -60.512
tors. eta vs tors. theta energy: -118.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1549.280939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.280939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.280939 (E_RNA)
where:
Base-Base interactions energy: -1024.957
where: short stacking energy: -438.261
Base-Backbone interact. energy: -0.696
local terms energy: -523.627779
where:
bonds (distance) C4'-P energy: -99.461
bonds (distance) P-C4' energy: -98.965
flat angles C4'-P-C4' energy: -126.306
flat angles P-C4'-P energy: -81.234
tors. eta vs tors. theta energy: -117.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1376.665857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.665857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.665857 (E_RNA)
where:
Base-Base interactions energy: -911.928
where: short stacking energy: -412.091
Base-Backbone interact. energy: 0.842
local terms energy: -465.579192
where:
bonds (distance) C4'-P energy: -96.143
bonds (distance) P-C4' energy: -97.501
flat angles C4'-P-C4' energy: -113.638
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -95.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1222.230372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.230372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.230372 (E_RNA)
where:
Base-Base interactions energy: -796.297
where: short stacking energy: -354.071
Base-Backbone interact. energy: -1.800
local terms energy: -424.133398
where:
bonds (distance) C4'-P energy: -87.346
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -110.130
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -73.363
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: 96
Temperature: 1.300000
Total energy: -1137.166783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.166783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.166783 (E_RNA)
where:
Base-Base interactions energy: -719.437
where: short stacking energy: -298.795
Base-Backbone interact. energy: -2.951
local terms energy: -414.778205
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -82.324
flat angles P-C4'-P energy: -68.990
tors. eta vs tors. theta energy: -57.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -823.982529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.982529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.982529 (E_RNA)
where:
Base-Base interactions energy: -461.950
where: short stacking energy: -232.550
Base-Backbone interact. energy: 2.417
local terms energy: -364.449651
where:
bonds (distance) C4'-P energy: -88.129
bonds (distance) P-C4' energy: -96.496
flat angles C4'-P-C4' energy: -95.083
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2145.350127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.350127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.350127 (E_RNA)
where:
Base-Base interactions energy: -1518.496
where: short stacking energy: -597.052
Base-Backbone interact. energy: -3.084
local terms energy: -623.769956
where:
bonds (distance) C4'-P energy: -120.609
bonds (distance) P-C4' energy: -106.912
flat angles C4'-P-C4' energy: -124.577
flat angles P-C4'-P energy: -96.907
tors. eta vs tors. theta energy: -174.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1994.923352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.923352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.923352 (E_RNA)
where:
Base-Base interactions energy: -1409.789
where: short stacking energy: -555.543
Base-Backbone interact. energy: -5.905
local terms energy: -579.229414
where:
bonds (distance) C4'-P energy: -111.970
bonds (distance) P-C4' energy: -100.946
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -174.068
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: 97
Temperature: 1.000000
Total energy: -1901.072353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.072353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.072353 (E_RNA)
where:
Base-Base interactions energy: -1306.409
where: short stacking energy: -538.516
Base-Backbone interact. energy: -1.403
local terms energy: -593.260474
where:
bonds (distance) C4'-P energy: -109.465
bonds (distance) P-C4' energy: -118.782
flat angles C4'-P-C4' energy: -127.696
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -156.860
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: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1849.140260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.140260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.140260 (E_RNA)
where:
Base-Base interactions energy: -1282.044
where: short stacking energy: -542.136
Base-Backbone interact. energy: -1.922
local terms energy: -565.173493
where:
bonds (distance) C4'-P energy: -108.514
bonds (distance) P-C4' energy: -123.026
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -68.172
tors. eta vs tors. theta energy: -148.127
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1730.744373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.744373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.744373 (E_RNA)
where:
Base-Base interactions energy: -1219.545
where: short stacking energy: -489.233
Base-Backbone interact. energy: -2.359
local terms energy: -508.840000
where:
bonds (distance) C4'-P energy: -103.542
bonds (distance) P-C4' energy: -94.595
flat angles C4'-P-C4' energy: -109.128
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -126.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1536.166864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.166864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.166864 (E_RNA)
where:
Base-Base interactions energy: -1038.414
where: short stacking energy: -466.367
Base-Backbone interact. energy: 1.312
local terms energy: -499.065087
where:
bonds (distance) C4'-P energy: -103.868
bonds (distance) P-C4' energy: -94.762
flat angles C4'-P-C4' energy: -106.100
flat angles P-C4'-P energy: -71.936
tors. eta vs tors. theta energy: -122.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1362.168115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.168115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.168115 (E_RNA)
where:
Base-Base interactions energy: -896.225
where: short stacking energy: -383.971
Base-Backbone interact. energy: -0.411
local terms energy: -465.532565
where:
bonds (distance) C4'-P energy: -96.709
bonds (distance) P-C4' energy: -106.664
flat angles C4'-P-C4' energy: -106.236
flat angles P-C4'-P energy: -62.910
tors. eta vs tors. theta energy: -93.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1180.052192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.052192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.052192 (E_RNA)
where:
Base-Base interactions energy: -760.365
where: short stacking energy: -331.492
Base-Backbone interact. energy: -1.821
local terms energy: -417.866626
where:
bonds (distance) C4'-P energy: -86.151
bonds (distance) P-C4' energy: -98.187
flat angles C4'-P-C4' energy: -95.571
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -70.098
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: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1080.235740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.235740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.235740 (E_RNA)
where:
Base-Base interactions energy: -686.569
where: short stacking energy: -290.777
Base-Backbone interact. energy: -0.882
local terms energy: -392.785209
where:
bonds (distance) C4'-P energy: -100.022
bonds (distance) P-C4' energy: -105.013
flat angles C4'-P-C4' energy: -89.357
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -50.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -845.815511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.815511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.815511 (E_RNA)
where:
Base-Base interactions energy: -504.133
where: short stacking energy: -221.889
Base-Backbone interact. energy: 1.778
local terms energy: -343.459860
where:
bonds (distance) C4'-P energy: -106.132
bonds (distance) P-C4' energy: -93.118
flat angles C4'-P-C4' energy: -74.848
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -24.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2128.293853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.293853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.293853 (E_RNA)
where:
Base-Base interactions energy: -1502.177
where: short stacking energy: -590.857
Base-Backbone interact. energy: -5.412
local terms energy: -620.705117
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -133.319
flat angles P-C4'-P energy: -93.014
tors. eta vs tors. theta energy: -168.040
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: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1995.776654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.776654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.776654 (E_RNA)
where:
Base-Base interactions energy: -1390.987
where: short stacking energy: -560.387
Base-Backbone interact. energy: -2.249
local terms energy: -602.541245
where:
bonds (distance) C4'-P energy: -115.335
bonds (distance) P-C4' energy: -123.761
flat angles C4'-P-C4' energy: -106.594
flat angles P-C4'-P energy: -91.231
tors. eta vs tors. theta energy: -165.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1913.852096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.852096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.852096 (E_RNA)
where:
Base-Base interactions energy: -1328.381
where: short stacking energy: -551.119
Base-Backbone interact. energy: -1.401
local terms energy: -584.070092
where:
bonds (distance) C4'-P energy: -101.258
bonds (distance) P-C4' energy: -112.756
flat angles C4'-P-C4' energy: -126.205
flat angles P-C4'-P energy: -87.118
tors. eta vs tors. theta energy: -156.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1824.501916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.501916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.501916 (E_RNA)
where:
Base-Base interactions energy: -1287.058
where: short stacking energy: -506.155
Base-Backbone interact. energy: 0.260
local terms energy: -537.704014
where:
bonds (distance) C4'-P energy: -103.325
bonds (distance) P-C4' energy: -105.753
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -71.234
tors. eta vs tors. theta energy: -142.036
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: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1691.233055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.233055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.233055 (E_RNA)
where:
Base-Base interactions energy: -1182.272
where: short stacking energy: -477.609
Base-Backbone interact. energy: 0.746
local terms energy: -509.707373
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -95.187
flat angles C4'-P-C4' energy: -116.951
flat angles P-C4'-P energy: -72.953
tors. eta vs tors. theta energy: -126.996
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: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1537.094011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.094011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.094011 (E_RNA)
where:
Base-Base interactions energy: -1010.044
where: short stacking energy: -440.206
Base-Backbone interact. energy: 0.416
local terms energy: -527.465529
where:
bonds (distance) C4'-P energy: -106.824
bonds (distance) P-C4' energy: -114.005
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -69.686
tors. eta vs tors. theta energy: -120.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1359.224581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.224581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.224581 (E_RNA)
where:
Base-Base interactions energy: -918.795
where: short stacking energy: -391.423
Base-Backbone interact. energy: -2.557
local terms energy: -437.872154
where:
bonds (distance) C4'-P energy: -100.329
bonds (distance) P-C4' energy: -110.753
flat angles C4'-P-C4' energy: -94.656
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -89.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1109.977469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.977469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.977469 (E_RNA)
where:
Base-Base interactions energy: -713.916
where: short stacking energy: -315.196
Base-Backbone interact. energy: 0.999
local terms energy: -397.060581
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -62.796
tors. eta vs tors. theta energy: -63.520
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: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1016.173914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.173914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.173914 (E_RNA)
where:
Base-Base interactions energy: -643.816
where: short stacking energy: -296.629
Base-Backbone interact. energy: 2.209
local terms energy: -374.567509
where:
bonds (distance) C4'-P energy: -88.783
bonds (distance) P-C4' energy: -92.057
flat angles C4'-P-C4' energy: -78.231
flat angles P-C4'-P energy: -58.174
tors. eta vs tors. theta energy: -57.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -829.875835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.875835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.875835 (E_RNA)
where:
Base-Base interactions energy: -469.923
where: short stacking energy: -217.011
Base-Backbone interact. energy: -2.140
local terms energy: -357.813335
where:
bonds (distance) C4'-P energy: -92.455
bonds (distance) P-C4' energy: -95.055
flat angles C4'-P-C4' energy: -104.814
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2141.366397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.366397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.366397 (E_RNA)
where:
Base-Base interactions energy: -1492.871
where: short stacking energy: -594.568
Base-Backbone interact. energy: 2.030
local terms energy: -650.525434
where:
bonds (distance) C4'-P energy: -114.032
bonds (distance) P-C4' energy: -116.568
flat angles C4'-P-C4' energy: -129.464
flat angles P-C4'-P energy: -109.253
tors. eta vs tors. theta energy: -181.209
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: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1989.271309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.271309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.271309 (E_RNA)
where:
Base-Base interactions energy: -1378.203
where: short stacking energy: -565.703
Base-Backbone interact. energy: -3.003
local terms energy: -608.065776
where:
bonds (distance) C4'-P energy: -103.097
bonds (distance) P-C4' energy: -125.361
flat angles C4'-P-C4' energy: -127.688
flat angles P-C4'-P energy: -83.310
tors. eta vs tors. theta energy: -168.609
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1936.895197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.895197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.895197 (E_RNA)
where:
Base-Base interactions energy: -1335.311
where: short stacking energy: -537.052
Base-Backbone interact. energy: -2.600
local terms energy: -598.984227
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -138.048
flat angles P-C4'-P energy: -74.384
tors. eta vs tors. theta energy: -161.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1740.872938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.872938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.872938 (E_RNA)
where:
Base-Base interactions energy: -1195.307
where: short stacking energy: -500.591
Base-Backbone interact. energy: -4.918
local terms energy: -540.647302
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -112.975
flat angles C4'-P-C4' energy: -117.024
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -137.001
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: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1769.438686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.438686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.438686 (E_RNA)
where:
Base-Base interactions energy: -1233.115
where: short stacking energy: -506.115
Base-Backbone interact. energy: 0.985
local terms energy: -537.309013
where:
bonds (distance) C4'-P energy: -83.751
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -116.650
flat angles P-C4'-P energy: -84.609
tors. eta vs tors. theta energy: -137.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1548.742673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.742673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.742673 (E_RNA)
where:
Base-Base interactions energy: -1023.595
where: short stacking energy: -426.342
Base-Backbone interact. energy: 4.754
local terms energy: -529.901020
where:
bonds (distance) C4'-P energy: -101.560
bonds (distance) P-C4' energy: -107.637
flat angles C4'-P-C4' energy: -122.470
flat angles P-C4'-P energy: -81.039
tors. eta vs tors. theta energy: -117.196
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: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1299.867941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.867941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.867941 (E_RNA)
where:
Base-Base interactions energy: -842.971
where: short stacking energy: -376.417
Base-Backbone interact. energy: 1.288
local terms energy: -458.185135
where:
bonds (distance) C4'-P energy: -103.878
bonds (distance) P-C4' energy: -91.376
flat angles C4'-P-C4' energy: -108.388
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -96.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1103.573545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.573545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.573545 (E_RNA)
where:
Base-Base interactions energy: -673.735
where: short stacking energy: -293.531
Base-Backbone interact. energy: -1.856
local terms energy: -427.982421
where:
bonds (distance) C4'-P energy: -104.290
bonds (distance) P-C4' energy: -109.833
flat angles C4'-P-C4' energy: -108.027
flat angles P-C4'-P energy: -61.911
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1129.662247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.662247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.662247 (E_RNA)
where:
Base-Base interactions energy: -711.706
where: short stacking energy: -314.484
Base-Backbone interact. energy: -0.374
local terms energy: -417.582707
where:
bonds (distance) C4'-P energy: -97.099
bonds (distance) P-C4' energy: -98.700
flat angles C4'-P-C4' energy: -114.616
flat angles P-C4'-P energy: -46.080
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -883.718292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.718292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.718292 (E_RNA)
where:
Base-Base interactions energy: -533.149
where: short stacking energy: -263.179
Base-Backbone interact. energy: 2.166
local terms energy: -352.735242
where:
bonds (distance) C4'-P energy: -92.280
bonds (distance) P-C4' energy: -96.544
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -49.221
tors. eta vs tors. theta energy: -42.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2122.866751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.866751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.866751 (E_RNA)
where:
Base-Base interactions energy: -1503.649
where: short stacking energy: -580.328
Base-Backbone interact. energy: -1.317
local terms energy: -617.901569
where:
bonds (distance) C4'-P energy: -110.732
bonds (distance) P-C4' energy: -120.330
flat angles C4'-P-C4' energy: -134.169
flat angles P-C4'-P energy: -76.321
tors. eta vs tors. theta energy: -176.349
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2008.648291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.648291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.648291 (E_RNA)
where:
Base-Base interactions energy: -1382.373
where: short stacking energy: -574.423
Base-Backbone interact. energy: -7.651
local terms energy: -618.624439
where:
bonds (distance) C4'-P energy: -110.864
bonds (distance) P-C4' energy: -117.916
flat angles C4'-P-C4' energy: -126.414
flat angles P-C4'-P energy: -86.331
tors. eta vs tors. theta energy: -177.098
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: 100
Temperature: 1.000000
Total energy: -1918.409820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.409820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.409820 (E_RNA)
where:
Base-Base interactions energy: -1312.843
where: short stacking energy: -535.525
Base-Backbone interact. energy: -3.456
local terms energy: -602.111314
where:
bonds (distance) C4'-P energy: -118.016
bonds (distance) P-C4' energy: -122.564
flat angles C4'-P-C4' energy: -120.298
flat angles P-C4'-P energy: -77.162
tors. eta vs tors. theta energy: -164.071
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1757.865761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.865761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.865761 (E_RNA)
where:
Base-Base interactions energy: -1196.934
where: short stacking energy: -517.288
Base-Backbone interact. energy: -1.278
local terms energy: -559.654218
where:
bonds (distance) C4'-P energy: -108.392
bonds (distance) P-C4' energy: -109.474
flat angles C4'-P-C4' energy: -128.886
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: -152.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1796.303903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.303903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.303903 (E_RNA)
where:
Base-Base interactions energy: -1259.542
where: short stacking energy: -519.723
Base-Backbone interact. energy: 0.514
local terms energy: -537.276477
where:
bonds (distance) C4'-P energy: -91.757
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -117.147
flat angles P-C4'-P energy: -75.309
tors. eta vs tors. theta energy: -153.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1544.231923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.231923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.231923 (E_RNA)
where:
Base-Base interactions energy: -1048.950
where: short stacking energy: -450.449
Base-Backbone interact. energy: 0.897
local terms energy: -496.178598
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -94.806
flat angles C4'-P-C4' energy: -115.731
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -117.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1343.099934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.099934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.099934 (E_RNA)
where:
Base-Base interactions energy: -890.021
where: short stacking energy: -392.938
Base-Backbone interact. energy: 1.831
local terms energy: -454.910209
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -110.248
flat angles C4'-P-C4' energy: -107.398
flat angles P-C4'-P energy: -60.214
tors. eta vs tors. theta energy: -80.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1132.707621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.707621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.707621 (E_RNA)
where:
Base-Base interactions energy: -745.543
where: short stacking energy: -342.017
Base-Backbone interact. energy: -0.900
local terms energy: -386.264633
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -100.524
flat angles C4'-P-C4' energy: -91.115
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -53.811
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1065.921844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.921844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.921844 (E_RNA)
where:
Base-Base interactions energy: -678.758
where: short stacking energy: -295.716
Base-Backbone interact. energy: 0.736
local terms energy: -387.899103
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -96.901
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -63.820
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -861.068016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.068016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.068016 (E_RNA)
where:
Base-Base interactions energy: -521.463
where: short stacking energy: -270.312
Base-Backbone interact. energy: 1.781
local terms energy: -341.385631
where:
bonds (distance) C4'-P energy: -83.288
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -83.345
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2140.285634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.285634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.285634 (E_RNA)
where:
Base-Base interactions energy: -1489.294
where: short stacking energy: -583.177
Base-Backbone interact. energy: -1.676
local terms energy: -649.315651
where:
bonds (distance) C4'-P energy: -126.225
bonds (distance) P-C4' energy: -128.194
flat angles C4'-P-C4' energy: -131.895
flat angles P-C4'-P energy: -95.284
tors. eta vs tors. theta energy: -167.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2044.926571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.926571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.926571 (E_RNA)
where:
Base-Base interactions energy: -1432.729
where: short stacking energy: -571.477
Base-Backbone interact. energy: -2.490
local terms energy: -609.707846
where:
bonds (distance) C4'-P energy: -115.996
bonds (distance) P-C4' energy: -107.004
flat angles C4'-P-C4' energy: -130.924
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: -170.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1964.937391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.937391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.937391 (E_RNA)
where:
Base-Base interactions energy: -1369.667
where: short stacking energy: -577.143
Base-Backbone interact. energy: -2.532
local terms energy: -592.739048
where:
bonds (distance) C4'-P energy: -111.246
bonds (distance) P-C4' energy: -109.255
flat angles C4'-P-C4' energy: -126.784
flat angles P-C4'-P energy: -80.264
tors. eta vs tors. theta energy: -165.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1785.554651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.554651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.554651 (E_RNA)
where:
Base-Base interactions energy: -1270.610
where: short stacking energy: -500.314
Base-Backbone interact. energy: -3.251
local terms energy: -511.693312
where:
bonds (distance) C4'-P energy: -97.649
bonds (distance) P-C4' energy: -98.874
flat angles C4'-P-C4' energy: -113.308
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -132.882
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: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1748.313691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.313691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.313691 (E_RNA)
where:
Base-Base interactions energy: -1215.283
where: short stacking energy: -480.081
Base-Backbone interact. energy: -1.038
local terms energy: -531.992723
where:
bonds (distance) C4'-P energy: -118.035
bonds (distance) P-C4' energy: -106.763
flat angles C4'-P-C4' energy: -109.646
flat angles P-C4'-P energy: -64.734
tors. eta vs tors. theta energy: -132.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1531.348548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.348548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.348548 (E_RNA)
where:
Base-Base interactions energy: -1032.632
where: short stacking energy: -457.861
Base-Backbone interact. energy: -1.965
local terms energy: -496.751071
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -105.528
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -73.826
tors. eta vs tors. theta energy: -124.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1298.068233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.068233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.068233 (E_RNA)
where:
Base-Base interactions energy: -868.484
where: short stacking energy: -361.354
Base-Backbone interact. energy: -0.676
local terms energy: -428.908564
where:
bonds (distance) C4'-P energy: -96.896
bonds (distance) P-C4' energy: -106.293
flat angles C4'-P-C4' energy: -98.723
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -82.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1101.812955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.812955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.812955 (E_RNA)
where:
Base-Base interactions energy: -706.968
where: short stacking energy: -313.157
Base-Backbone interact. energy: 5.472
local terms energy: -400.317013
where:
bonds (distance) C4'-P energy: -86.231
bonds (distance) P-C4' energy: -95.554
flat angles C4'-P-C4' energy: -103.580
flat angles P-C4'-P energy: -58.180
tors. eta vs tors. theta energy: -56.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1110.610015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.610015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.610015 (E_RNA)
where:
Base-Base interactions energy: -686.882
where: short stacking energy: -291.801
Base-Backbone interact. energy: 0.574
local terms energy: -424.302350
where:
bonds (distance) C4'-P energy: -104.346
bonds (distance) P-C4' energy: -103.159
flat angles C4'-P-C4' energy: -96.464
flat angles P-C4'-P energy: -65.322
tors. eta vs tors. theta energy: -55.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -802.159529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.159529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.159529 (E_RNA)
where:
Base-Base interactions energy: -475.795
where: short stacking energy: -233.377
Base-Backbone interact. energy: -0.900
local terms energy: -325.463918
where:
bonds (distance) C4'-P energy: -74.578
bonds (distance) P-C4' energy: -101.587
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2142.406177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.406177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.406177 (E_RNA)
where:
Base-Base interactions energy: -1508.172
where: short stacking energy: -607.248
Base-Backbone interact. energy: -2.174
local terms energy: -632.060601
where:
bonds (distance) C4'-P energy: -117.900
bonds (distance) P-C4' energy: -110.008
flat angles C4'-P-C4' energy: -135.737
flat angles P-C4'-P energy: -94.676
tors. eta vs tors. theta energy: -173.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2013.923713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.923713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.923713 (E_RNA)
where:
Base-Base interactions energy: -1399.487
where: short stacking energy: -576.199
Base-Backbone interact. energy: -0.778
local terms energy: -613.658338
where:
bonds (distance) C4'-P energy: -116.819
bonds (distance) P-C4' energy: -113.723
flat angles C4'-P-C4' energy: -124.397
flat angles P-C4'-P energy: -86.509
tors. eta vs tors. theta energy: -172.210
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: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1925.106140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.106140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.106140 (E_RNA)
where:
Base-Base interactions energy: -1313.788
where: short stacking energy: -553.081
Base-Backbone interact. energy: 0.364
local terms energy: -611.681550
where:
bonds (distance) C4'-P energy: -123.585
bonds (distance) P-C4' energy: -111.571
flat angles C4'-P-C4' energy: -130.034
flat angles P-C4'-P energy: -77.997
tors. eta vs tors. theta energy: -168.495
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: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1792.843393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.843393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.843393 (E_RNA)
where:
Base-Base interactions energy: -1235.552
where: short stacking energy: -487.769
Base-Backbone interact. energy: -6.089
local terms energy: -551.202330
where:
bonds (distance) C4'-P energy: -109.187
bonds (distance) P-C4' energy: -105.413
flat angles C4'-P-C4' energy: -126.822
flat angles P-C4'-P energy: -65.344
tors. eta vs tors. theta energy: -144.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1745.413609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.413609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.413609 (E_RNA)
where:
Base-Base interactions energy: -1212.336
where: short stacking energy: -501.794
Base-Backbone interact. energy: -2.553
local terms energy: -530.524315
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -118.619
flat angles P-C4'-P energy: -76.417
tors. eta vs tors. theta energy: -140.204
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: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1515.842130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.842130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.842130 (E_RNA)
where:
Base-Base interactions energy: -1019.808
where: short stacking energy: -456.599
Base-Backbone interact. energy: -1.893
local terms energy: -494.140640
where:
bonds (distance) C4'-P energy: -92.458
bonds (distance) P-C4' energy: -109.621
flat angles C4'-P-C4' energy: -105.323
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -110.214
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: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1300.432849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.432849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.432849 (E_RNA)
where:
Base-Base interactions energy: -864.069
where: short stacking energy: -395.147
Base-Backbone interact. energy: -0.182
local terms energy: -436.181493
where:
bonds (distance) C4'-P energy: -96.315
bonds (distance) P-C4' energy: -94.176
flat angles C4'-P-C4' energy: -117.488
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -80.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1086.987563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.987563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.987563 (E_RNA)
where:
Base-Base interactions energy: -685.731
where: short stacking energy: -310.426
Base-Backbone interact. energy: 3.037
local terms energy: -404.293912
where:
bonds (distance) C4'-P energy: -99.926
bonds (distance) P-C4' energy: -93.341
flat angles C4'-P-C4' energy: -93.506
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -58.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1078.173390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.173390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.173390 (E_RNA)
where:
Base-Base interactions energy: -711.033
where: short stacking energy: -296.736
Base-Backbone interact. energy: -0.735
local terms energy: -366.404697
where:
bonds (distance) C4'-P energy: -83.801
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -98.596
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -39.678
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: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -847.578322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.578322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.578322 (E_RNA)
where:
Base-Base interactions energy: -482.354
where: short stacking energy: -236.664
Base-Backbone interact. energy: -0.402
local terms energy: -364.822290
where:
bonds (distance) C4'-P energy: -90.625
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -93.785
flat angles P-C4'-P energy: -63.588
tors. eta vs tors. theta energy: -19.174
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: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2137.685615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.685615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.685615 (E_RNA)
where:
Base-Base interactions energy: -1509.840
where: short stacking energy: -612.314
Base-Backbone interact. energy: -3.499
local terms energy: -624.346485
where:
bonds (distance) C4'-P energy: -114.870
bonds (distance) P-C4' energy: -112.690
flat angles C4'-P-C4' energy: -130.650
flat angles P-C4'-P energy: -93.948
tors. eta vs tors. theta energy: -172.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2039.818550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.818550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.818550 (E_RNA)
where:
Base-Base interactions energy: -1424.846
where: short stacking energy: -573.455
Base-Backbone interact. energy: -8.723
local terms energy: -606.248929
where:
bonds (distance) C4'-P energy: -107.669
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -126.477
flat angles P-C4'-P energy: -93.379
tors. eta vs tors. theta energy: -177.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1905.584788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.584788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.584788 (E_RNA)
where:
Base-Base interactions energy: -1318.872
where: short stacking energy: -535.834
Base-Backbone interact. energy: -3.170
local terms energy: -583.543503
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -114.143
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -79.770
tors. eta vs tors. theta energy: -158.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1793.513190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.513190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.513190 (E_RNA)
where:
Base-Base interactions energy: -1240.772
where: short stacking energy: -503.751
Base-Backbone interact. energy: -2.760
local terms energy: -549.981496
where:
bonds (distance) C4'-P energy: -121.041
bonds (distance) P-C4' energy: -93.639
flat angles C4'-P-C4' energy: -124.693
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -133.343
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: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1720.621693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.621693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.621693 (E_RNA)
where:
Base-Base interactions energy: -1194.688
where: short stacking energy: -481.344
Base-Backbone interact. energy: -2.249
local terms energy: -523.684395
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -107.219
flat angles C4'-P-C4' energy: -103.558
flat angles P-C4'-P energy: -83.155
tors. eta vs tors. theta energy: -129.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1462.803686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.803686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.803686 (E_RNA)
where:
Base-Base interactions energy: -975.981
where: short stacking energy: -415.473
Base-Backbone interact. energy: 3.214
local terms energy: -490.037397
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -121.225
flat angles C4'-P-C4' energy: -100.180
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: -107.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1298.440871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.440871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.440871 (E_RNA)
where:
Base-Base interactions energy: -833.117
where: short stacking energy: -380.282
Base-Backbone interact. energy: 0.217
local terms energy: -465.541281
where:
bonds (distance) C4'-P energy: -93.002
bonds (distance) P-C4' energy: -109.055
flat angles C4'-P-C4' energy: -105.177
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -84.005
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: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1205.272864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.272864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.272864 (E_RNA)
where:
Base-Base interactions energy: -759.381
where: short stacking energy: -346.081
Base-Backbone interact. energy: 1.231
local terms energy: -447.122552
where:
bonds (distance) C4'-P energy: -96.012
bonds (distance) P-C4' energy: -111.189
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -65.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1088.971170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.971170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.971170 (E_RNA)
where:
Base-Base interactions energy: -672.174
where: short stacking energy: -276.755
Base-Backbone interact. energy: 5.719
local terms energy: -422.516228
where:
bonds (distance) C4'-P energy: -119.867
bonds (distance) P-C4' energy: -100.454
flat angles C4'-P-C4' energy: -92.899
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -58.069
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: 103
Temperature: 1.350000
Total energy: -861.405386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.405386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.405386 (E_RNA)
where:
Base-Base interactions energy: -486.465
where: short stacking energy: -240.630
Base-Backbone interact. energy: -1.429
local terms energy: -373.511552
where:
bonds (distance) C4'-P energy: -102.219
bonds (distance) P-C4' energy: -93.365
flat angles C4'-P-C4' energy: -94.020
flat angles P-C4'-P energy: -46.259
tors. eta vs tors. theta energy: -37.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2143.277590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.277590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.277590 (E_RNA)
where:
Base-Base interactions energy: -1496.177
where: short stacking energy: -600.478
Base-Backbone interact. energy: 1.167
local terms energy: -648.267300
where:
bonds (distance) C4'-P energy: -119.400
bonds (distance) P-C4' energy: -122.354
flat angles C4'-P-C4' energy: -138.211
flat angles P-C4'-P energy: -94.909
tors. eta vs tors. theta energy: -173.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2014.317287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.317287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.317287 (E_RNA)
where:
Base-Base interactions energy: -1403.541
where: short stacking energy: -563.631
Base-Backbone interact. energy: -4.189
local terms energy: -606.586772
where:
bonds (distance) C4'-P energy: -126.989
bonds (distance) P-C4' energy: -111.929
flat angles C4'-P-C4' energy: -117.623
flat angles P-C4'-P energy: -84.293
tors. eta vs tors. theta energy: -165.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1901.276059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.276059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.276059 (E_RNA)
where:
Base-Base interactions energy: -1311.821
where: short stacking energy: -541.484
Base-Backbone interact. energy: -1.877
local terms energy: -587.577976
where:
bonds (distance) C4'-P energy: -98.140
bonds (distance) P-C4' energy: -104.718
flat angles C4'-P-C4' energy: -132.853
flat angles P-C4'-P energy: -91.970
tors. eta vs tors. theta energy: -159.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1821.373358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.373358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.373358 (E_RNA)
where:
Base-Base interactions energy: -1269.547
where: short stacking energy: -488.025
Base-Backbone interact. energy: -1.441
local terms energy: -550.385369
where:
bonds (distance) C4'-P energy: -104.327
bonds (distance) P-C4' energy: -100.694
flat angles C4'-P-C4' energy: -123.665
flat angles P-C4'-P energy: -84.216
tors. eta vs tors. theta energy: -137.483
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: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1686.021870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.021870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.021870 (E_RNA)
where:
Base-Base interactions energy: -1160.081
where: short stacking energy: -492.237
Base-Backbone interact. energy: -2.555
local terms energy: -523.385719
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -129.954
flat angles C4'-P-C4' energy: -112.605
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -116.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1479.094469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.094469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.094469 (E_RNA)
where:
Base-Base interactions energy: -976.073
where: short stacking energy: -408.849
Base-Backbone interact. energy: -2.624
local terms energy: -500.397346
where:
bonds (distance) C4'-P energy: -116.419
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -101.920
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -100.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1351.115663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.115663 (E_RNA)
where:
Base-Base interactions energy: -875.050
where: short stacking energy: -409.014
Base-Backbone interact. energy: 2.160
local terms energy: -478.225847
where:
bonds (distance) C4'-P energy: -97.489
bonds (distance) P-C4' energy: -109.374
flat angles C4'-P-C4' energy: -108.047
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -99.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1214.528791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.528791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.528791 (E_RNA)
where:
Base-Base interactions energy: -776.211
where: short stacking energy: -343.963
Base-Backbone interact. energy: -2.676
local terms energy: -435.641914
where:
bonds (distance) C4'-P energy: -98.723
bonds (distance) P-C4' energy: -95.912
flat angles C4'-P-C4' energy: -119.336
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -69.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1085.582548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.582548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.582548 (E_RNA)
where:
Base-Base interactions energy: -704.625
where: short stacking energy: -327.181
Base-Backbone interact. energy: 0.526
local terms energy: -381.482988
where:
bonds (distance) C4'-P energy: -80.010
bonds (distance) P-C4' energy: -83.135
flat angles C4'-P-C4' energy: -82.481
flat angles P-C4'-P energy: -66.046
tors. eta vs tors. theta energy: -69.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -850.366089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.366089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.366089 (E_RNA)
where:
Base-Base interactions energy: -499.155
where: short stacking energy: -228.116
Base-Backbone interact. energy: 6.100
local terms energy: -357.310607
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -86.110
flat angles C4'-P-C4' energy: -99.324
flat angles P-C4'-P energy: -58.497
tors. eta vs tors. theta energy: -19.446
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: 105
Temperature: 0.900000
Total energy: -2151.632223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.632223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.632223 (E_RNA)
where:
Base-Base interactions energy: -1506.012
where: short stacking energy: -579.372
Base-Backbone interact. energy: -4.171
local terms energy: -641.449812
where:
bonds (distance) C4'-P energy: -118.553
bonds (distance) P-C4' energy: -115.107
flat angles C4'-P-C4' energy: -135.860
flat angles P-C4'-P energy: -90.723
tors. eta vs tors. theta energy: -181.207
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2049.322598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.322598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.322598 (E_RNA)
where:
Base-Base interactions energy: -1418.320
where: short stacking energy: -571.302
Base-Backbone interact. energy: -4.971
local terms energy: -626.030973
where:
bonds (distance) C4'-P energy: -120.635
bonds (distance) P-C4' energy: -109.914
flat angles C4'-P-C4' energy: -134.999
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -168.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1928.558176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.558176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.558176 (E_RNA)
where:
Base-Base interactions energy: -1322.270
where: short stacking energy: -538.735
Base-Backbone interact. energy: -3.080
local terms energy: -603.208205
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -122.488
flat angles C4'-P-C4' energy: -138.086
flat angles P-C4'-P energy: -81.385
tors. eta vs tors. theta energy: -151.087
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: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1873.689448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.689448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.689448 (E_RNA)
where:
Base-Base interactions energy: -1298.890
where: short stacking energy: -516.614
Base-Backbone interact. energy: -4.570
local terms energy: -570.229658
where:
bonds (distance) C4'-P energy: -101.617
bonds (distance) P-C4' energy: -113.236
flat angles C4'-P-C4' energy: -139.811
flat angles P-C4'-P energy: -83.057
tors. eta vs tors. theta energy: -132.508
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1693.314522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.314522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.314522 (E_RNA)
where:
Base-Base interactions energy: -1167.780
where: short stacking energy: -494.608
Base-Backbone interact. energy: -3.152
local terms energy: -522.382625
where:
bonds (distance) C4'-P energy: -102.922
bonds (distance) P-C4' energy: -113.413
flat angles C4'-P-C4' energy: -109.805
flat angles P-C4'-P energy: -62.387
tors. eta vs tors. theta energy: -133.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1507.488912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.488912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.488912 (E_RNA)
where:
Base-Base interactions energy: -1008.807
where: short stacking energy: -436.987
Base-Backbone interact. energy: -0.089
local terms energy: -498.591960
where:
bonds (distance) C4'-P energy: -93.055
bonds (distance) P-C4' energy: -110.789
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -76.042
tors. eta vs tors. theta energy: -112.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1312.754204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.754204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.754204 (E_RNA)
where:
Base-Base interactions energy: -862.046
where: short stacking energy: -384.578
Base-Backbone interact. energy: -2.680
local terms energy: -448.027916
where:
bonds (distance) C4'-P energy: -105.134
bonds (distance) P-C4' energy: -84.509
flat angles C4'-P-C4' energy: -111.106
flat angles P-C4'-P energy: -69.374
tors. eta vs tors. theta energy: -77.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1168.129954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.129954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.129954 (E_RNA)
where:
Base-Base interactions energy: -762.468
where: short stacking energy: -325.049
Base-Backbone interact. energy: -1.892
local terms energy: -403.769532
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -90.356
flat angles C4'-P-C4' energy: -88.621
flat angles P-C4'-P energy: -71.841
tors. eta vs tors. theta energy: -65.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1073.170098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.170098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.170098 (E_RNA)
where:
Base-Base interactions energy: -705.097
where: short stacking energy: -313.956
Base-Backbone interact. energy: 9.005
local terms energy: -377.078184
where:
bonds (distance) C4'-P energy: -101.722
bonds (distance) P-C4' energy: -92.093
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -870.919588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.919588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.919588 (E_RNA)
where:
Base-Base interactions energy: -503.921
where: short stacking energy: -217.986
Base-Backbone interact. energy: -0.991
local terms energy: -366.007974
where:
bonds (distance) C4'-P energy: -105.768
bonds (distance) P-C4' energy: -96.764
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -46.889
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2124.192192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.192192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.192192 (E_RNA)
where:
Base-Base interactions energy: -1481.749
where: short stacking energy: -590.637
Base-Backbone interact. energy: -2.893
local terms energy: -639.550654
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -128.749
flat angles C4'-P-C4' energy: -130.593
flat angles P-C4'-P energy: -84.364
tors. eta vs tors. theta energy: -174.915
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: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1999.285230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.285230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.285230 (E_RNA)
where:
Base-Base interactions energy: -1410.793
where: short stacking energy: -581.070
Base-Backbone interact. energy: -4.127
local terms energy: -584.364841
where:
bonds (distance) C4'-P energy: -109.738
bonds (distance) P-C4' energy: -118.434
flat angles C4'-P-C4' energy: -118.276
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -166.524
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: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1936.675407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.675407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.675407 (E_RNA)
where:
Base-Base interactions energy: -1347.391
where: short stacking energy: -549.558
Base-Backbone interact. energy: -5.169
local terms energy: -584.115063
where:
bonds (distance) C4'-P energy: -114.679
bonds (distance) P-C4' energy: -109.904
flat angles C4'-P-C4' energy: -127.531
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -154.361
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: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1798.082056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.082056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.082056 (E_RNA)
where:
Base-Base interactions energy: -1281.803
where: short stacking energy: -517.078
Base-Backbone interact. energy: -0.085
local terms energy: -516.194023
where:
bonds (distance) C4'-P energy: -94.278
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -112.748
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: -134.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1705.014209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.014209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.014209 (E_RNA)
where:
Base-Base interactions energy: -1182.361
where: short stacking energy: -472.381
Base-Backbone interact. energy: -2.155
local terms energy: -520.498557
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -83.682
tors. eta vs tors. theta energy: -119.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1506.466632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.466632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.466632 (E_RNA)
where:
Base-Base interactions energy: -992.433
where: short stacking energy: -433.037
Base-Backbone interact. energy: -1.617
local terms energy: -512.416686
where:
bonds (distance) C4'-P energy: -114.251
bonds (distance) P-C4' energy: -104.965
flat angles C4'-P-C4' energy: -121.457
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -108.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1315.889375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.889375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.889375 (E_RNA)
where:
Base-Base interactions energy: -867.697
where: short stacking energy: -393.226
Base-Backbone interact. energy: -3.606
local terms energy: -444.586163
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -102.956
flat angles C4'-P-C4' energy: -117.572
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -95.764
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: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1181.053242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.053242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.053242 (E_RNA)
where:
Base-Base interactions energy: -775.033
where: short stacking energy: -343.197
Base-Backbone interact. energy: -1.605
local terms energy: -404.415150
where:
bonds (distance) C4'-P energy: -91.684
bonds (distance) P-C4' energy: -94.198
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -63.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1082.610751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.610751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.610751 (E_RNA)
where:
Base-Base interactions energy: -675.068
where: short stacking energy: -306.770
Base-Backbone interact. energy: 2.753
local terms energy: -410.295960
where:
bonds (distance) C4'-P energy: -97.524
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -75.468
flat angles P-C4'-P energy: -79.393
tors. eta vs tors. theta energy: -52.910
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: 106
Temperature: 1.350000
Total energy: -892.177696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.177696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.177696 (E_RNA)
where:
Base-Base interactions energy: -543.634
where: short stacking energy: -245.203
Base-Backbone interact. energy: 1.715
local terms energy: -350.259161
where:
bonds (distance) C4'-P energy: -90.551
bonds (distance) P-C4' energy: -106.680
flat angles C4'-P-C4' energy: -71.432
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2126.465040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.465040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.465040 (E_RNA)
where:
Base-Base interactions energy: -1497.419
where: short stacking energy: -586.322
Base-Backbone interact. energy: -5.760
local terms energy: -623.286051
where:
bonds (distance) C4'-P energy: -122.794
bonds (distance) P-C4' energy: -114.322
flat angles C4'-P-C4' energy: -130.591
flat angles P-C4'-P energy: -90.083
tors. eta vs tors. theta energy: -165.496
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2013.533352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.533352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.533352 (E_RNA)
where:
Base-Base interactions energy: -1396.166
where: short stacking energy: -546.677
Base-Backbone interact. energy: -3.237
local terms energy: -614.131159
where:
bonds (distance) C4'-P energy: -115.543
bonds (distance) P-C4' energy: -115.994
flat angles C4'-P-C4' energy: -129.245
flat angles P-C4'-P energy: -93.204
tors. eta vs tors. theta energy: -160.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1874.996312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.996312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.996312 (E_RNA)
where:
Base-Base interactions energy: -1300.690
where: short stacking energy: -536.162
Base-Backbone interact. energy: -0.574
local terms energy: -573.732360
where:
bonds (distance) C4'-P energy: -97.287
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -121.551
flat angles P-C4'-P energy: -86.551
tors. eta vs tors. theta energy: -145.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1795.205524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.205524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.205524 (E_RNA)
where:
Base-Base interactions energy: -1250.214
where: short stacking energy: -534.061
Base-Backbone interact. energy: 0.807
local terms energy: -545.798579
where:
bonds (distance) C4'-P energy: -107.533
bonds (distance) P-C4' energy: -98.824
flat angles C4'-P-C4' energy: -117.423
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: -140.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1684.926429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.926429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.926429 (E_RNA)
where:
Base-Base interactions energy: -1159.007
where: short stacking energy: -492.780
Base-Backbone interact. energy: 2.948
local terms energy: -528.868079
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -104.848
flat angles C4'-P-C4' energy: -128.422
flat angles P-C4'-P energy: -73.259
tors. eta vs tors. theta energy: -130.613
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1455.358462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.358462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.358462 (E_RNA)
where:
Base-Base interactions energy: -959.513
where: short stacking energy: -415.245
Base-Backbone interact. energy: 1.496
local terms energy: -497.341753
where:
bonds (distance) C4'-P energy: -107.606
bonds (distance) P-C4' energy: -104.831
flat angles C4'-P-C4' energy: -112.064
flat angles P-C4'-P energy: -69.568
tors. eta vs tors. theta energy: -103.274
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: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1293.133661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.133661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.133661 (E_RNA)
where:
Base-Base interactions energy: -872.191
where: short stacking energy: -402.653
Base-Backbone interact. energy: -2.440
local terms energy: -418.502906
where:
bonds (distance) C4'-P energy: -85.463
bonds (distance) P-C4' energy: -86.844
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -72.404
tors. eta vs tors. theta energy: -81.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1206.033498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.033498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.033498 (E_RNA)
where:
Base-Base interactions energy: -755.896
where: short stacking energy: -365.021
Base-Backbone interact. energy: 3.173
local terms energy: -453.309981
where:
bonds (distance) C4'-P energy: -104.515
bonds (distance) P-C4' energy: -113.968
flat angles C4'-P-C4' energy: -107.874
flat angles P-C4'-P energy: -58.961
tors. eta vs tors. theta energy: -67.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -970.161626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.161626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.161626 (E_RNA)
where:
Base-Base interactions energy: -603.288
where: short stacking energy: -286.170
Base-Backbone interact. energy: 8.637
local terms energy: -375.510948
where:
bonds (distance) C4'-P energy: -74.337
bonds (distance) P-C4' energy: -110.395
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: -38.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -836.800356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.800356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.800356 (E_RNA)
where:
Base-Base interactions energy: -491.345
where: short stacking energy: -212.246
Base-Backbone interact. energy: 0.558
local terms energy: -346.013886
where:
bonds (distance) C4'-P energy: -89.632
bonds (distance) P-C4' energy: -107.516
flat angles C4'-P-C4' energy: -83.857
flat angles P-C4'-P energy: -62.199
tors. eta vs tors. theta energy: -2.810
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: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2119.050183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.050183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.050183 (E_RNA)
where:
Base-Base interactions energy: -1486.558
where: short stacking energy: -585.128
Base-Backbone interact. energy: -6.589
local terms energy: -625.903418
where:
bonds (distance) C4'-P energy: -116.943
bonds (distance) P-C4' energy: -115.797
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -87.706
tors. eta vs tors. theta energy: -172.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1993.656615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.656615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.656615 (E_RNA)
where:
Base-Base interactions energy: -1405.566
where: short stacking energy: -561.998
Base-Backbone interact. energy: -0.881
local terms energy: -587.210327
where:
bonds (distance) C4'-P energy: -112.875
bonds (distance) P-C4' energy: -107.763
flat angles C4'-P-C4' energy: -117.094
flat angles P-C4'-P energy: -84.840
tors. eta vs tors. theta energy: -164.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1875.188025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.188025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.188025 (E_RNA)
where:
Base-Base interactions energy: -1307.533
where: short stacking energy: -516.751
Base-Backbone interact. energy: 2.277
local terms energy: -569.931661
where:
bonds (distance) C4'-P energy: -110.776
bonds (distance) P-C4' energy: -102.838
flat angles C4'-P-C4' energy: -122.291
flat angles P-C4'-P energy: -90.732
tors. eta vs tors. theta energy: -143.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1811.099956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.099956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.099956 (E_RNA)
where:
Base-Base interactions energy: -1280.545
where: short stacking energy: -529.040
Base-Backbone interact. energy: 0.003
local terms energy: -530.558018
where:
bonds (distance) C4'-P energy: -99.954
bonds (distance) P-C4' energy: -95.826
flat angles C4'-P-C4' energy: -123.099
flat angles P-C4'-P energy: -75.979
tors. eta vs tors. theta energy: -135.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1665.729107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.729107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.729107 (E_RNA)
where:
Base-Base interactions energy: -1136.849
where: short stacking energy: -463.141
Base-Backbone interact. energy: 0.414
local terms energy: -529.294513
where:
bonds (distance) C4'-P energy: -97.337
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -123.127
flat angles P-C4'-P energy: -84.793
tors. eta vs tors. theta energy: -121.704
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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1440.917817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.917817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.917817 (E_RNA)
where:
Base-Base interactions energy: -979.908
where: short stacking energy: -415.466
Base-Backbone interact. energy: -0.838
local terms energy: -460.171540
where:
bonds (distance) C4'-P energy: -91.587
bonds (distance) P-C4' energy: -89.130
flat angles C4'-P-C4' energy: -101.326
flat angles P-C4'-P energy: -78.246
tors. eta vs tors. theta energy: -99.883
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: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1293.544949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.544949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.544949 (E_RNA)
where:
Base-Base interactions energy: -838.517
where: short stacking energy: -385.473
Base-Backbone interact. energy: 2.082
local terms energy: -457.109919
where:
bonds (distance) C4'-P energy: -94.218
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -105.288
flat angles P-C4'-P energy: -72.037
tors. eta vs tors. theta energy: -85.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1130.989074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.989074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.989074 (E_RNA)
where:
Base-Base interactions energy: -720.324
where: short stacking energy: -334.508
Base-Backbone interact. energy: -1.854
local terms energy: -408.810130
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -101.071
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -50.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -970.949255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.949255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.949255 (E_RNA)
where:
Base-Base interactions energy: -584.946
where: short stacking energy: -278.940
Base-Backbone interact. energy: 3.363
local terms energy: -389.366506
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -95.891
flat angles C4'-P-C4' energy: -89.388
flat angles P-C4'-P energy: -72.928
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -878.756070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.756070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.756070 (E_RNA)
where:
Base-Base interactions energy: -531.091
where: short stacking energy: -231.684
Base-Backbone interact. energy: -1.705
local terms energy: -345.959792
where:
bonds (distance) C4'-P energy: -87.832
bonds (distance) P-C4' energy: -86.318
flat angles C4'-P-C4' energy: -91.982
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2115.408561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.408561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.408561 (E_RNA)
where:
Base-Base interactions energy: -1479.454
where: short stacking energy: -584.680
Base-Backbone interact. energy: -5.120
local terms energy: -630.834760
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -123.173
flat angles C4'-P-C4' energy: -131.260
flat angles P-C4'-P energy: -92.754
tors. eta vs tors. theta energy: -177.859
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: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1966.452770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.452770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.452770 (E_RNA)
where:
Base-Base interactions energy: -1365.712
where: short stacking energy: -553.370
Base-Backbone interact. energy: 1.152
local terms energy: -601.892638
where:
bonds (distance) C4'-P energy: -118.341
bonds (distance) P-C4' energy: -114.338
flat angles C4'-P-C4' energy: -124.907
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -162.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1900.493899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.493899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.493899 (E_RNA)
where:
Base-Base interactions energy: -1309.005
where: short stacking energy: -537.786
Base-Backbone interact. energy: 1.309
local terms energy: -592.797573
where:
bonds (distance) C4'-P energy: -106.851
bonds (distance) P-C4' energy: -116.907
flat angles C4'-P-C4' energy: -124.475
flat angles P-C4'-P energy: -92.365
tors. eta vs tors. theta energy: -152.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1827.262811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.262811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.262811 (E_RNA)
where:
Base-Base interactions energy: -1243.206
where: short stacking energy: -523.338
Base-Backbone interact. energy: -2.561
local terms energy: -581.495562
where:
bonds (distance) C4'-P energy: -114.606
bonds (distance) P-C4' energy: -108.811
flat angles C4'-P-C4' energy: -128.159
flat angles P-C4'-P energy: -89.927
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: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1681.102668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.102668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.102668 (E_RNA)
where:
Base-Base interactions energy: -1147.269
where: short stacking energy: -480.135
Base-Backbone interact. energy: -0.178
local terms energy: -533.655855
where:
bonds (distance) C4'-P energy: -90.702
bonds (distance) P-C4' energy: -107.938
flat angles C4'-P-C4' energy: -128.865
flat angles P-C4'-P energy: -77.099
tors. eta vs tors. theta energy: -129.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1454.865961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.865961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.865961 (E_RNA)
where:
Base-Base interactions energy: -980.389
where: short stacking energy: -426.563
Base-Backbone interact. energy: -1.492
local terms energy: -472.985182
where:
bonds (distance) C4'-P energy: -99.341
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -105.617
flat angles P-C4'-P energy: -73.833
tors. eta vs tors. theta energy: -106.655
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: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1337.890120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.890120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.890120 (E_RNA)
where:
Base-Base interactions energy: -881.702
where: short stacking energy: -388.847
Base-Backbone interact. energy: -0.594
local terms energy: -455.593840
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -99.270
flat angles C4'-P-C4' energy: -94.087
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -85.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1148.230449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.230449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.230449 (E_RNA)
where:
Base-Base interactions energy: -729.931
where: short stacking energy: -305.743
Base-Backbone interact. energy: 2.385
local terms energy: -420.684499
where:
bonds (distance) C4'-P energy: -93.315
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -108.579
flat angles P-C4'-P energy: -64.941
tors. eta vs tors. theta energy: -49.431
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: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -978.643847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.643847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.643847 (E_RNA)
where:
Base-Base interactions energy: -589.725
where: short stacking energy: -259.580
Base-Backbone interact. energy: -1.951
local terms energy: -386.967597
where:
bonds (distance) C4'-P energy: -98.414
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -94.660
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -42.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -787.228185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.228185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.228185 (E_RNA)
where:
Base-Base interactions energy: -450.032
where: short stacking energy: -226.212
Base-Backbone interact. energy: 2.928
local terms energy: -340.124161
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -101.115
flat angles C4'-P-C4' energy: -84.544
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2108.433780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.433780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.433780 (E_RNA)
where:
Base-Base interactions energy: -1484.305
where: short stacking energy: -597.041
Base-Backbone interact. energy: -3.675
local terms energy: -620.453990
where:
bonds (distance) C4'-P energy: -108.730
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -126.214
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -180.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1955.303491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.303491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.303491 (E_RNA)
where:
Base-Base interactions energy: -1365.329
where: short stacking energy: -554.443
Base-Backbone interact. energy: -0.513
local terms energy: -589.461599
where:
bonds (distance) C4'-P energy: -102.250
bonds (distance) P-C4' energy: -113.546
flat angles C4'-P-C4' energy: -125.251
flat angles P-C4'-P energy: -92.998
tors. eta vs tors. theta energy: -155.416
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1886.525792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.525792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.525792 (E_RNA)
where:
Base-Base interactions energy: -1287.273
where: short stacking energy: -521.035
Base-Backbone interact. energy: -4.263
local terms energy: -594.989983
where:
bonds (distance) C4'-P energy: -119.416
bonds (distance) P-C4' energy: -116.248
flat angles C4'-P-C4' energy: -131.823
flat angles P-C4'-P energy: -87.370
tors. eta vs tors. theta energy: -140.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1831.303324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.303324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.303324 (E_RNA)
where:
Base-Base interactions energy: -1291.907
where: short stacking energy: -500.405
Base-Backbone interact. energy: 7.918
local terms energy: -547.314247
where:
bonds (distance) C4'-P energy: -86.153
bonds (distance) P-C4' energy: -111.805
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -79.099
tors. eta vs tors. theta energy: -146.818
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: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1687.810553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.810553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.810553 (E_RNA)
where:
Base-Base interactions energy: -1130.643
where: short stacking energy: -470.066
Base-Backbone interact. energy: -4.732
local terms energy: -552.435265
where:
bonds (distance) C4'-P energy: -118.728
bonds (distance) P-C4' energy: -112.863
flat angles C4'-P-C4' energy: -106.572
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -123.741
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1525.711652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.711652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.711652 (E_RNA)
where:
Base-Base interactions energy: -1000.588
where: short stacking energy: -442.427
Base-Backbone interact. energy: -0.824
local terms energy: -524.300185
where:
bonds (distance) C4'-P energy: -82.004
bonds (distance) P-C4' energy: -116.069
flat angles C4'-P-C4' energy: -123.827
flat angles P-C4'-P energy: -81.993
tors. eta vs tors. theta energy: -120.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1341.535471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.535471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.535471 (E_RNA)
where:
Base-Base interactions energy: -876.881
where: short stacking energy: -385.923
Base-Backbone interact. energy: -1.394
local terms energy: -463.260964
where:
bonds (distance) C4'-P energy: -109.752
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -97.322
flat angles P-C4'-P energy: -63.134
tors. eta vs tors. theta energy: -84.654
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: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1083.059063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.059063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.059063 (E_RNA)
where:
Base-Base interactions energy: -676.748
where: short stacking energy: -302.884
Base-Backbone interact. energy: 0.775
local terms energy: -407.086019
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -102.849
flat angles C4'-P-C4' energy: -111.338
flat angles P-C4'-P energy: -55.337
tors. eta vs tors. theta energy: -53.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -971.261265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.261265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.261265 (E_RNA)
where:
Base-Base interactions energy: -597.424
where: short stacking energy: -268.726
Base-Backbone interact. energy: -3.345
local terms energy: -370.491671
where:
bonds (distance) C4'-P energy: -86.575
bonds (distance) P-C4' energy: -104.325
flat angles C4'-P-C4' energy: -96.065
flat angles P-C4'-P energy: -62.308
tors. eta vs tors. theta energy: -21.219
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: 110
Temperature: 1.350000
Total energy: -774.641798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.641798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.641798 (E_RNA)
where:
Base-Base interactions energy: -433.209
where: short stacking energy: -204.953
Base-Backbone interact. energy: -0.935
local terms energy: -340.498191
where:
bonds (distance) C4'-P energy: -101.486
bonds (distance) P-C4' energy: -90.571
flat angles C4'-P-C4' energy: -98.024
flat angles P-C4'-P energy: -52.238
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2120.382926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.382926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.382926 (E_RNA)
where:
Base-Base interactions energy: -1504.207
where: short stacking energy: -592.370
Base-Backbone interact. energy: -4.057
local terms energy: -612.118692
where:
bonds (distance) C4'-P energy: -121.331
bonds (distance) P-C4' energy: -100.756
flat angles C4'-P-C4' energy: -140.976
flat angles P-C4'-P energy: -84.179
tors. eta vs tors. theta energy: -164.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1953.351787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.351787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.351787 (E_RNA)
where:
Base-Base interactions energy: -1380.062
where: short stacking energy: -557.564
Base-Backbone interact. energy: -3.501
local terms energy: -569.789081
where:
bonds (distance) C4'-P energy: -96.099
bonds (distance) P-C4' energy: -114.252
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -155.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1873.527146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.527146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.527146 (E_RNA)
where:
Base-Base interactions energy: -1333.650
where: short stacking energy: -533.766
Base-Backbone interact. energy: -1.329
local terms energy: -538.548342
where:
bonds (distance) C4'-P energy: -100.479
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -121.284
flat angles P-C4'-P energy: -60.578
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: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1740.389174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.389174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.389174 (E_RNA)
where:
Base-Base interactions energy: -1223.802
where: short stacking energy: -491.079
Base-Backbone interact. energy: 1.646
local terms energy: -518.233056
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -110.715
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -86.136
tors. eta vs tors. theta energy: -126.867
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: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1695.608894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.608894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.608894 (E_RNA)
where:
Base-Base interactions energy: -1165.384
where: short stacking energy: -498.410
Base-Backbone interact. energy: 1.235
local terms energy: -531.459730
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -114.020
flat angles C4'-P-C4' energy: -113.068
flat angles P-C4'-P energy: -68.447
tors. eta vs tors. theta energy: -139.264
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: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1517.700191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.700191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.700191 (E_RNA)
where:
Base-Base interactions energy: -984.275
where: short stacking energy: -459.072
Base-Backbone interact. energy: -2.239
local terms energy: -531.186568
where:
bonds (distance) C4'-P energy: -115.230
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -112.674
flat angles P-C4'-P energy: -79.824
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: 111
Temperature: 1.200000
Total energy: -1291.106296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.106296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.106296 (E_RNA)
where:
Base-Base interactions energy: -819.295
where: short stacking energy: -360.152
Base-Backbone interact. energy: 2.214
local terms energy: -474.024682
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -116.384
flat angles C4'-P-C4' energy: -104.134
flat angles P-C4'-P energy: -77.863
tors. eta vs tors. theta energy: -80.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1106.347253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.347253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.347253 (E_RNA)
where:
Base-Base interactions energy: -680.808
where: short stacking energy: -298.170
Base-Backbone interact. energy: -1.080
local terms energy: -424.458533
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -91.700
flat angles P-C4'-P energy: -75.410
tors. eta vs tors. theta energy: -59.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1041.288565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.288565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.288565 (E_RNA)
where:
Base-Base interactions energy: -649.999
where: short stacking energy: -265.263
Base-Backbone interact. energy: -1.863
local terms energy: -389.426023
where:
bonds (distance) C4'-P energy: -105.671
bonds (distance) P-C4' energy: -91.518
flat angles C4'-P-C4' energy: -85.883
flat angles P-C4'-P energy: -59.542
tors. eta vs tors. theta energy: -46.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -768.570338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.570338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.570338 (E_RNA)
where:
Base-Base interactions energy: -425.377
where: short stacking energy: -205.538
Base-Backbone interact. energy: 4.836
local terms energy: -348.029056
where:
bonds (distance) C4'-P energy: -80.263
bonds (distance) P-C4' energy: -102.659
flat angles C4'-P-C4' energy: -92.974
flat angles P-C4'-P energy: -60.442
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2126.557578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.557578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.557578 (E_RNA)
where:
Base-Base interactions energy: -1505.510
where: short stacking energy: -594.040
Base-Backbone interact. energy: -4.435
local terms energy: -616.612507
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -114.324
flat angles C4'-P-C4' energy: -133.086
flat angles P-C4'-P energy: -93.812
tors. eta vs tors. theta energy: -169.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1934.812926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.812926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.812926 (E_RNA)
where:
Base-Base interactions energy: -1341.142
where: short stacking energy: -547.920
Base-Backbone interact. energy: -2.072
local terms energy: -591.599517
where:
bonds (distance) C4'-P energy: -112.846
bonds (distance) P-C4' energy: -109.258
flat angles C4'-P-C4' energy: -133.392
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -157.279
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: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1870.175632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.175632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.175632 (E_RNA)
where:
Base-Base interactions energy: -1291.289
where: short stacking energy: -528.185
Base-Backbone interact. energy: -5.472
local terms energy: -573.414683
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -115.248
flat angles C4'-P-C4' energy: -119.408
flat angles P-C4'-P energy: -84.102
tors. eta vs tors. theta energy: -146.174
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: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1741.540809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.540809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.540809 (E_RNA)
where:
Base-Base interactions energy: -1181.077
where: short stacking energy: -480.747
Base-Backbone interact. energy: 1.023
local terms energy: -561.487292
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -122.027
flat angles P-C4'-P energy: -72.946
tors. eta vs tors. theta energy: -137.003
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: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1692.902329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.902329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.902329 (E_RNA)
where:
Base-Base interactions energy: -1188.052
where: short stacking energy: -483.994
Base-Backbone interact. energy: 1.050
local terms energy: -505.900395
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -101.122
flat angles C4'-P-C4' energy: -108.391
flat angles P-C4'-P energy: -78.878
tors. eta vs tors. theta energy: -121.905
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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1465.786452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.786452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.786452 (E_RNA)
where:
Base-Base interactions energy: -981.915
where: short stacking energy: -425.445
Base-Backbone interact. energy: 0.639
local terms energy: -484.509809
where:
bonds (distance) C4'-P energy: -94.022
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -107.776
flat angles P-C4'-P energy: -77.648
tors. eta vs tors. theta energy: -102.791
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: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1276.366475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.366475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.366475 (E_RNA)
where:
Base-Base interactions energy: -802.667
where: short stacking energy: -359.973
Base-Backbone interact. energy: -3.174
local terms energy: -470.525309
where:
bonds (distance) C4'-P energy: -104.961
bonds (distance) P-C4' energy: -118.310
flat angles C4'-P-C4' energy: -110.012
flat angles P-C4'-P energy: -68.323
tors. eta vs tors. theta energy: -68.919
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: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1111.123116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.123116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.123116 (E_RNA)
where:
Base-Base interactions energy: -708.476
where: short stacking energy: -333.323
Base-Backbone interact. energy: 2.479
local terms energy: -405.125423
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -97.035
flat angles C4'-P-C4' energy: -94.217
flat angles P-C4'-P energy: -52.501
tors. eta vs tors. theta energy: -57.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1064.648820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.648820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.648820 (E_RNA)
where:
Base-Base interactions energy: -677.225
where: short stacking energy: -330.068
Base-Backbone interact. energy: -1.316
local terms energy: -386.108148
where:
bonds (distance) C4'-P energy: -85.755
bonds (distance) P-C4' energy: -84.974
flat angles C4'-P-C4' energy: -92.803
flat angles P-C4'-P energy: -72.231
tors. eta vs tors. theta energy: -50.346
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: 112
Temperature: 1.350000
Total energy: -754.939827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.939827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.939827 (E_RNA)
where:
Base-Base interactions energy: -439.560
where: short stacking energy: -229.321
Base-Backbone interact. energy: -1.306
local terms energy: -314.073906
where:
bonds (distance) C4'-P energy: -86.770
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -71.349
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2155.198375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.198375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.198375 (E_RNA)
where:
Base-Base interactions energy: -1503.667
where: short stacking energy: -572.936
Base-Backbone interact. energy: -6.566
local terms energy: -644.964501
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -138.920
flat angles P-C4'-P energy: -97.611
tors. eta vs tors. theta energy: -170.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1981.476908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.476908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.476908 (E_RNA)
where:
Base-Base interactions energy: -1399.910
where: short stacking energy: -538.183
Base-Backbone interact. energy: 0.380
local terms energy: -581.946768
where:
bonds (distance) C4'-P energy: -110.752
bonds (distance) P-C4' energy: -111.957
flat angles C4'-P-C4' energy: -127.155
flat angles P-C4'-P energy: -78.313
tors. eta vs tors. theta energy: -153.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1911.557497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.557497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.557497 (E_RNA)
where:
Base-Base interactions energy: -1324.236
where: short stacking energy: -562.482
Base-Backbone interact. energy: 2.129
local terms energy: -589.450874
where:
bonds (distance) C4'-P energy: -112.171
bonds (distance) P-C4' energy: -116.142
flat angles C4'-P-C4' energy: -122.631
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -161.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1756.290454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.290454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.290454 (E_RNA)
where:
Base-Base interactions energy: -1212.670
where: short stacking energy: -504.835
Base-Backbone interact. energy: 3.342
local terms energy: -546.962268
where:
bonds (distance) C4'-P energy: -99.703
bonds (distance) P-C4' energy: -105.556
flat angles C4'-P-C4' energy: -121.232
flat angles P-C4'-P energy: -77.886
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1698.426914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.426914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.426914 (E_RNA)
where:
Base-Base interactions energy: -1175.650
where: short stacking energy: -472.655
Base-Backbone interact. energy: -5.328
local terms energy: -517.448984
where:
bonds (distance) C4'-P energy: -105.667
bonds (distance) P-C4' energy: -98.544
flat angles C4'-P-C4' energy: -115.012
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -121.590
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: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1449.005442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.005442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.005442 (E_RNA)
where:
Base-Base interactions energy: -968.573
where: short stacking energy: -423.491
Base-Backbone interact. energy: -1.133
local terms energy: -479.299755
where:
bonds (distance) C4'-P energy: -109.510
bonds (distance) P-C4' energy: -98.054
flat angles C4'-P-C4' energy: -102.456
flat angles P-C4'-P energy: -63.752
tors. eta vs tors. theta energy: -105.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1338.887886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.887886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.887886 (E_RNA)
where:
Base-Base interactions energy: -860.391
where: short stacking energy: -396.945
Base-Backbone interact. energy: -2.953
local terms energy: -475.543614
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -66.496
tors. eta vs tors. theta energy: -90.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1126.848602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.848602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.848602 (E_RNA)
where:
Base-Base interactions energy: -704.406
where: short stacking energy: -316.686
Base-Backbone interact. energy: -2.066
local terms energy: -420.376260
where:
bonds (distance) C4'-P energy: -111.444
bonds (distance) P-C4' energy: -106.501
flat angles C4'-P-C4' energy: -72.004
flat angles P-C4'-P energy: -58.285
tors. eta vs tors. theta energy: -72.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1061.015949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.015949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.015949 (E_RNA)
where:
Base-Base interactions energy: -665.210
where: short stacking energy: -305.211
Base-Backbone interact. energy: 3.151
local terms energy: -398.957102
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -101.544
flat angles C4'-P-C4' energy: -87.348
flat angles P-C4'-P energy: -59.579
tors. eta vs tors. theta energy: -58.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -772.551809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.551809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.551809 (E_RNA)
where:
Base-Base interactions energy: -418.896
where: short stacking energy: -213.716
Base-Backbone interact. energy: 1.606
local terms energy: -355.261674
where:
bonds (distance) C4'-P energy: -90.864
bonds (distance) P-C4' energy: -94.102
flat angles C4'-P-C4' energy: -97.233
flat angles P-C4'-P energy: -54.272
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2107.503633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.503633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.503633 (E_RNA)
where:
Base-Base interactions energy: -1468.931
where: short stacking energy: -595.306
Base-Backbone interact. energy: -3.208
local terms energy: -635.364772
where:
bonds (distance) C4'-P energy: -113.136
bonds (distance) P-C4' energy: -114.904
flat angles C4'-P-C4' energy: -136.278
flat angles P-C4'-P energy: -98.944
tors. eta vs tors. theta energy: -172.103
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1999.366018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.366018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.366018 (E_RNA)
where:
Base-Base interactions energy: -1396.556
where: short stacking energy: -550.291
Base-Backbone interact. energy: -4.072
local terms energy: -598.737684
where:
bonds (distance) C4'-P energy: -108.838
bonds (distance) P-C4' energy: -103.605
flat angles C4'-P-C4' energy: -128.855
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -170.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1897.864985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.864985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.864985 (E_RNA)
where:
Base-Base interactions energy: -1303.590
where: short stacking energy: -554.019
Base-Backbone interact. energy: -0.891
local terms energy: -593.383592
where:
bonds (distance) C4'-P energy: -109.861
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -126.939
flat angles P-C4'-P energy: -83.776
tors. eta vs tors. theta energy: -153.517
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: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1710.265139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.265139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.265139 (E_RNA)
where:
Base-Base interactions energy: -1166.907
where: short stacking energy: -480.457
Base-Backbone interact. energy: 1.592
local terms energy: -544.951003
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -122.043
flat angles P-C4'-P energy: -92.626
tors. eta vs tors. theta energy: -127.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1714.295149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.295149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.295149 (E_RNA)
where:
Base-Base interactions energy: -1233.245
where: short stacking energy: -513.793
Base-Backbone interact. energy: -3.940
local terms energy: -477.109927
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -94.467
flat angles C4'-P-C4' energy: -101.857
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -126.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1452.223492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.223492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.223492 (E_RNA)
where:
Base-Base interactions energy: -946.249
where: short stacking energy: -406.964
Base-Backbone interact. energy: -2.007
local terms energy: -503.966702
where:
bonds (distance) C4'-P energy: -99.855
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -121.986
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -112.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1298.949263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.949263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.949263 (E_RNA)
where:
Base-Base interactions energy: -834.280
where: short stacking energy: -385.539
Base-Backbone interact. energy: -1.411
local terms energy: -463.258694
where:
bonds (distance) C4'-P energy: -102.954
bonds (distance) P-C4' energy: -110.231
flat angles C4'-P-C4' energy: -99.863
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -81.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1182.258382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.258382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.258382 (E_RNA)
where:
Base-Base interactions energy: -744.350
where: short stacking energy: -330.527
Base-Backbone interact. energy: -3.692
local terms energy: -434.216186
where:
bonds (distance) C4'-P energy: -87.138
bonds (distance) P-C4' energy: -93.912
flat angles C4'-P-C4' energy: -98.416
flat angles P-C4'-P energy: -83.514
tors. eta vs tors. theta energy: -71.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -997.341387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.341387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.341387 (E_RNA)
where:
Base-Base interactions energy: -622.261
where: short stacking energy: -286.568
Base-Backbone interact. energy: 2.058
local terms energy: -377.138739
where:
bonds (distance) C4'-P energy: -99.596
bonds (distance) P-C4' energy: -97.119
flat angles C4'-P-C4' energy: -94.642
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -42.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -795.959981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.959981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.959981 (E_RNA)
where:
Base-Base interactions energy: -448.572
where: short stacking energy: -221.864
Base-Backbone interact. energy: -5.488
local terms energy: -341.899693
where:
bonds (distance) C4'-P energy: -75.148
bonds (distance) P-C4' energy: -93.079
flat angles C4'-P-C4' energy: -107.231
flat angles P-C4'-P energy: -55.632
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2119.501756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.501756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.501756 (E_RNA)
where:
Base-Base interactions energy: -1476.861
where: short stacking energy: -591.085
Base-Backbone interact. energy: -2.884
local terms energy: -639.756867
where:
bonds (distance) C4'-P energy: -125.135
bonds (distance) P-C4' energy: -125.340
flat angles C4'-P-C4' energy: -124.968
flat angles P-C4'-P energy: -86.681
tors. eta vs tors. theta energy: -177.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1978.435581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.435581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.435581 (E_RNA)
where:
Base-Base interactions energy: -1388.923
where: short stacking energy: -542.764
Base-Backbone interact. energy: -2.852
local terms energy: -586.659770
where:
bonds (distance) C4'-P energy: -108.628
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -136.108
flat angles P-C4'-P energy: -81.338
tors. eta vs tors. theta energy: -156.080
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1888.425988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.425988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.425988 (E_RNA)
where:
Base-Base interactions energy: -1318.689
where: short stacking energy: -542.769
Base-Backbone interact. energy: -0.150
local terms energy: -569.587227
where:
bonds (distance) C4'-P energy: -106.682
bonds (distance) P-C4' energy: -95.926
flat angles C4'-P-C4' energy: -122.166
flat angles P-C4'-P energy: -97.041
tors. eta vs tors. theta energy: -147.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1728.238844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.238844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.238844 (E_RNA)
where:
Base-Base interactions energy: -1179.403
where: short stacking energy: -487.767
Base-Backbone interact. energy: -0.297
local terms energy: -548.539024
where:
bonds (distance) C4'-P energy: -107.522
bonds (distance) P-C4' energy: -95.750
flat angles C4'-P-C4' energy: -124.171
flat angles P-C4'-P energy: -86.582
tors. eta vs tors. theta energy: -134.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1648.270148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.270148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.270148 (E_RNA)
where:
Base-Base interactions energy: -1121.834
where: short stacking energy: -446.614
Base-Backbone interact. energy: -0.677
local terms energy: -525.759068
where:
bonds (distance) C4'-P energy: -99.853
bonds (distance) P-C4' energy: -113.716
flat angles C4'-P-C4' energy: -106.742
flat angles P-C4'-P energy: -77.915
tors. eta vs tors. theta energy: -127.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1506.573440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.573440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.573440 (E_RNA)
where:
Base-Base interactions energy: -996.750
where: short stacking energy: -426.539
Base-Backbone interact. energy: -2.320
local terms energy: -507.503589
where:
bonds (distance) C4'-P energy: -120.073
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -106.242
flat angles P-C4'-P energy: -62.643
tors. eta vs tors. theta energy: -113.016
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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1348.468354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.468354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.468354 (E_RNA)
where:
Base-Base interactions energy: -863.419
where: short stacking energy: -374.796
Base-Backbone interact. energy: -1.197
local terms energy: -483.851494
where:
bonds (distance) C4'-P energy: -101.318
bonds (distance) P-C4' energy: -115.362
flat angles C4'-P-C4' energy: -106.522
flat angles P-C4'-P energy: -77.492
tors. eta vs tors. theta energy: -83.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1084.737750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.737750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.737750 (E_RNA)
where:
Base-Base interactions energy: -698.620
where: short stacking energy: -343.132
Base-Backbone interact. energy: 1.706
local terms energy: -387.824655
where:
bonds (distance) C4'-P energy: -75.039
bonds (distance) P-C4' energy: -102.517
flat angles C4'-P-C4' energy: -87.229
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -71.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1016.796045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.796045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.796045 (E_RNA)
where:
Base-Base interactions energy: -659.055
where: short stacking energy: -280.171
Base-Backbone interact. energy: 1.896
local terms energy: -359.637630
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -80.704
flat angles C4'-P-C4' energy: -87.059
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -41.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -770.320021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.320021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.320021 (E_RNA)
where:
Base-Base interactions energy: -440.625
where: short stacking energy: -208.522
Base-Backbone interact. energy: 3.560
local terms energy: -333.254893
where:
bonds (distance) C4'-P energy: -95.295
bonds (distance) P-C4' energy: -101.612
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -56.786
tors. eta vs tors. theta energy: 7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2113.975272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.975272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.975272 (E_RNA)
where:
Base-Base interactions energy: -1472.608
where: short stacking energy: -600.665
Base-Backbone interact. energy: -3.063
local terms energy: -638.303767
where:
bonds (distance) C4'-P energy: -131.409
bonds (distance) P-C4' energy: -106.461
flat angles C4'-P-C4' energy: -138.383
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -173.860
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: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1980.327388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.327388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.327388 (E_RNA)
where:
Base-Base interactions energy: -1373.616
where: short stacking energy: -550.459
Base-Backbone interact. energy: -2.966
local terms energy: -603.744867
where:
bonds (distance) C4'-P energy: -108.762
bonds (distance) P-C4' energy: -121.127
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -79.706
tors. eta vs tors. theta energy: -169.251
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: 116
Temperature: 1.000000
Total energy: -1841.527282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.527282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.527282 (E_RNA)
where:
Base-Base interactions energy: -1281.337
where: short stacking energy: -528.918
Base-Backbone interact. energy: -1.773
local terms energy: -558.417177
where:
bonds (distance) C4'-P energy: -107.221
bonds (distance) P-C4' energy: -107.167
flat angles C4'-P-C4' energy: -122.342
flat angles P-C4'-P energy: -84.186
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: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1731.610975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.610975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.610975 (E_RNA)
where:
Base-Base interactions energy: -1189.743
where: short stacking energy: -494.312
Base-Backbone interact. energy: -5.844
local terms energy: -536.023940
where:
bonds (distance) C4'-P energy: -98.694
bonds (distance) P-C4' energy: -118.794
flat angles C4'-P-C4' energy: -95.242
flat angles P-C4'-P energy: -89.894
tors. eta vs tors. theta energy: -133.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1648.854738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.854738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.854738 (E_RNA)
where:
Base-Base interactions energy: -1109.062
where: short stacking energy: -444.738
Base-Backbone interact. energy: -2.766
local terms energy: -537.027136
where:
bonds (distance) C4'-P energy: -103.002
bonds (distance) P-C4' energy: -114.278
flat angles C4'-P-C4' energy: -116.692
flat angles P-C4'-P energy: -92.922
tors. eta vs tors. theta energy: -110.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1523.845808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.845808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.845808 (E_RNA)
where:
Base-Base interactions energy: -986.410
where: short stacking energy: -442.318
Base-Backbone interact. energy: -0.626
local terms energy: -536.809622
where:
bonds (distance) C4'-P energy: -104.700
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -117.374
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -121.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1346.703912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.703912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.703912 (E_RNA)
where:
Base-Base interactions energy: -877.777
where: short stacking energy: -369.743
Base-Backbone interact. energy: -2.127
local terms energy: -466.799412
where:
bonds (distance) C4'-P energy: -99.054
bonds (distance) P-C4' energy: -107.809
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -92.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1128.888806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.888806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.888806 (E_RNA)
where:
Base-Base interactions energy: -703.580
where: short stacking energy: -349.174
Base-Backbone interact. energy: -2.512
local terms energy: -422.796946
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -94.425
flat angles P-C4'-P energy: -67.016
tors. eta vs tors. theta energy: -76.198
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: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1015.495947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.495947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.495947 (E_RNA)
where:
Base-Base interactions energy: -646.503
where: short stacking energy: -299.145
Base-Backbone interact. energy: 4.631
local terms energy: -373.623976
where:
bonds (distance) C4'-P energy: -100.073
bonds (distance) P-C4' energy: -84.009
flat angles C4'-P-C4' energy: -92.418
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -54.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -737.153945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.153945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.153945 (E_RNA)
where:
Base-Base interactions energy: -389.743
where: short stacking energy: -205.661
Base-Backbone interact. energy: -3.391
local terms energy: -344.020684
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -91.846
flat angles C4'-P-C4' energy: -79.885
flat angles P-C4'-P energy: -64.610
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2083.342475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.342475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.342475 (E_RNA)
where:
Base-Base interactions energy: -1447.700
where: short stacking energy: -581.563
Base-Backbone interact. energy: 1.582
local terms energy: -637.224464
where:
bonds (distance) C4'-P energy: -115.372
bonds (distance) P-C4' energy: -118.771
flat angles C4'-P-C4' energy: -134.001
flat angles P-C4'-P energy: -93.814
tors. eta vs tors. theta energy: -175.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1992.489027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.489027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.489027 (E_RNA)
where:
Base-Base interactions energy: -1373.684
where: short stacking energy: -556.162
Base-Backbone interact. energy: -6.080
local terms energy: -612.724921
where:
bonds (distance) C4'-P energy: -110.255
bonds (distance) P-C4' energy: -108.422
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -88.720
tors. eta vs tors. theta energy: -173.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1895.499370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.499370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.499370 (E_RNA)
where:
Base-Base interactions energy: -1325.854
where: short stacking energy: -548.514
Base-Backbone interact. energy: -2.127
local terms energy: -567.518161
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -101.972
flat angles C4'-P-C4' energy: -129.282
flat angles P-C4'-P energy: -82.481
tors. eta vs tors. theta energy: -153.094
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1744.899497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.899497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.899497 (E_RNA)
where:
Base-Base interactions energy: -1211.535
where: short stacking energy: -485.841
Base-Backbone interact. energy: 3.946
local terms energy: -537.310461
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -113.461
flat angles C4'-P-C4' energy: -116.652
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -119.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1608.486823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.486823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.486823 (E_RNA)
where:
Base-Base interactions energy: -1100.128
where: short stacking energy: -444.859
Base-Backbone interact. energy: 0.897
local terms energy: -509.255585
where:
bonds (distance) C4'-P energy: -101.871
bonds (distance) P-C4' energy: -106.175
flat angles C4'-P-C4' energy: -114.144
flat angles P-C4'-P energy: -77.638
tors. eta vs tors. theta energy: -109.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1551.851268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.851268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.851268 (E_RNA)
where:
Base-Base interactions energy: -1046.038
where: short stacking energy: -437.731
Base-Backbone interact. energy: -0.329
local terms energy: -505.484921
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -90.566
flat angles C4'-P-C4' energy: -113.708
flat angles P-C4'-P energy: -81.147
tors. eta vs tors. theta energy: -112.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1340.149981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.149981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.149981 (E_RNA)
where:
Base-Base interactions energy: -869.876
where: short stacking energy: -389.788
Base-Backbone interact. energy: -0.224
local terms energy: -470.050242
where:
bonds (distance) C4'-P energy: -98.418
bonds (distance) P-C4' energy: -101.531
flat angles C4'-P-C4' energy: -113.109
flat angles P-C4'-P energy: -67.116
tors. eta vs tors. theta energy: -89.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1114.381614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.381614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.381614 (E_RNA)
where:
Base-Base interactions energy: -694.579
where: short stacking energy: -320.490
Base-Backbone interact. energy: 2.798
local terms energy: -422.600381
where:
bonds (distance) C4'-P energy: -105.157
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -98.524
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -68.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1038.377532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.377532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.377532 (E_RNA)
where:
Base-Base interactions energy: -623.479
where: short stacking energy: -279.286
Base-Backbone interact. energy: -1.949
local terms energy: -412.949673
where:
bonds (distance) C4'-P energy: -98.576
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -104.098
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -743.479497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.479497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.479497 (E_RNA)
where:
Base-Base interactions energy: -427.813
where: short stacking energy: -201.351
Base-Backbone interact. energy: 1.242
local terms energy: -316.908270
where:
bonds (distance) C4'-P energy: -89.565
bonds (distance) P-C4' energy: -94.367
flat angles C4'-P-C4' energy: -85.327
flat angles P-C4'-P energy: -45.853
tors. eta vs tors. theta energy: -1.796
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: 118
Temperature: 0.900000
Total energy: -2125.850204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.850204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.850204 (E_RNA)
where:
Base-Base interactions energy: -1480.238
where: short stacking energy: -596.639
Base-Backbone interact. energy: -3.035
local terms energy: -642.577959
where:
bonds (distance) C4'-P energy: -121.698
bonds (distance) P-C4' energy: -128.089
flat angles C4'-P-C4' energy: -135.419
flat angles P-C4'-P energy: -84.938
tors. eta vs tors. theta energy: -172.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1975.037278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.037278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.037278 (E_RNA)
where:
Base-Base interactions energy: -1387.093
where: short stacking energy: -562.556
Base-Backbone interact. energy: -1.725
local terms energy: -586.219506
where:
bonds (distance) C4'-P energy: -113.155
bonds (distance) P-C4' energy: -107.332
flat angles C4'-P-C4' energy: -120.056
flat angles P-C4'-P energy: -84.963
tors. eta vs tors. theta energy: -160.714
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: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1791.789190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.789190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.789190 (E_RNA)
where:
Base-Base interactions energy: -1235.936
where: short stacking energy: -540.144
Base-Backbone interact. energy: -2.539
local terms energy: -553.313922
where:
bonds (distance) C4'-P energy: -93.342
bonds (distance) P-C4' energy: -96.355
flat angles C4'-P-C4' energy: -123.254
flat angles P-C4'-P energy: -85.315
tors. eta vs tors. theta energy: -155.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1834.129320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.129320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.129320 (E_RNA)
where:
Base-Base interactions energy: -1260.102
where: short stacking energy: -520.470
Base-Backbone interact. energy: -0.804
local terms energy: -573.222941
where:
bonds (distance) C4'-P energy: -115.919
bonds (distance) P-C4' energy: -104.968
flat angles C4'-P-C4' energy: -127.241
flat angles P-C4'-P energy: -82.158
tors. eta vs tors. theta energy: -142.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1642.193174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.193174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.193174 (E_RNA)
where:
Base-Base interactions energy: -1094.438
where: short stacking energy: -453.373
Base-Backbone interact. energy: -1.974
local terms energy: -545.781553
where:
bonds (distance) C4'-P energy: -107.272
bonds (distance) P-C4' energy: -125.076
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -76.870
tors. eta vs tors. theta energy: -120.546
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1525.347815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.347815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.347815 (E_RNA)
where:
Base-Base interactions energy: -1005.962
where: short stacking energy: -445.311
Base-Backbone interact. energy: 1.354
local terms energy: -520.740079
where:
bonds (distance) C4'-P energy: -105.259
bonds (distance) P-C4' energy: -110.502
flat angles C4'-P-C4' energy: -121.232
flat angles P-C4'-P energy: -66.391
tors. eta vs tors. theta energy: -117.356
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1324.973294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.973294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.973294 (E_RNA)
where:
Base-Base interactions energy: -852.607
where: short stacking energy: -392.090
Base-Backbone interact. energy: -2.009
local terms energy: -470.356948
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -94.467
flat angles C4'-P-C4' energy: -111.164
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -95.167
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1094.985799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.985799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.985799 (E_RNA)
where:
Base-Base interactions energy: -709.764
where: short stacking energy: -314.427
Base-Backbone interact. energy: 0.113
local terms energy: -385.335523
where:
bonds (distance) C4'-P energy: -100.497
bonds (distance) P-C4' energy: -102.680
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -55.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1002.522540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.522540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.522540 (E_RNA)
where:
Base-Base interactions energy: -608.091
where: short stacking energy: -261.450
Base-Backbone interact. energy: 6.533
local terms energy: -400.963920
where:
bonds (distance) C4'-P energy: -93.431
bonds (distance) P-C4' energy: -104.111
flat angles C4'-P-C4' energy: -91.770
flat angles P-C4'-P energy: -68.888
tors. eta vs tors. theta energy: -42.764
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: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -749.493551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.493551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.493551 (E_RNA)
where:
Base-Base interactions energy: -410.204
where: short stacking energy: -193.863
Base-Backbone interact. energy: 2.817
local terms energy: -342.106557
where:
bonds (distance) C4'-P energy: -92.342
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -91.528
flat angles P-C4'-P energy: -64.647
tors. eta vs tors. theta energy: 3.737
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: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2111.833520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.833520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.833520 (E_RNA)
where:
Base-Base interactions energy: -1478.692
where: short stacking energy: -599.646
Base-Backbone interact. energy: -1.040
local terms energy: -632.101597
where:
bonds (distance) C4'-P energy: -114.325
bonds (distance) P-C4' energy: -116.437
flat angles C4'-P-C4' energy: -140.628
flat angles P-C4'-P energy: -85.231
tors. eta vs tors. theta energy: -175.481
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1967.878910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.878910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.878910 (E_RNA)
where:
Base-Base interactions energy: -1373.058
where: short stacking energy: -559.132
Base-Backbone interact. energy: 0.025
local terms energy: -594.846657
where:
bonds (distance) C4'-P energy: -106.905
bonds (distance) P-C4' energy: -116.165
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -96.611
tors. eta vs tors. theta energy: -163.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1752.141299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.141299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.141299 (E_RNA)
where:
Base-Base interactions energy: -1208.966
where: short stacking energy: -505.999
Base-Backbone interact. energy: -2.812
local terms energy: -540.363241
where:
bonds (distance) C4'-P energy: -93.437
bonds (distance) P-C4' energy: -113.651
flat angles C4'-P-C4' energy: -120.147
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -134.524
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: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1815.400320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.400320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.400320 (E_RNA)
where:
Base-Base interactions energy: -1270.853
where: short stacking energy: -505.693
Base-Backbone interact. energy: -0.439
local terms energy: -544.108396
where:
bonds (distance) C4'-P energy: -99.750
bonds (distance) P-C4' energy: -101.472
flat angles C4'-P-C4' energy: -124.220
flat angles P-C4'-P energy: -76.468
tors. eta vs tors. theta energy: -142.199
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1639.547175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.547175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.547175 (E_RNA)
where:
Base-Base interactions energy: -1122.766
where: short stacking energy: -476.438
Base-Backbone interact. energy: 0.181
local terms energy: -516.962145
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -111.639
flat angles C4'-P-C4' energy: -118.968
flat angles P-C4'-P energy: -77.351
tors. eta vs tors. theta energy: -113.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1518.539775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.539775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.539775 (E_RNA)
where:
Base-Base interactions energy: -1018.885
where: short stacking energy: -447.163
Base-Backbone interact. energy: -1.703
local terms energy: -497.952122
where:
bonds (distance) C4'-P energy: -92.043
bonds (distance) P-C4' energy: -104.956
flat angles C4'-P-C4' energy: -110.726
flat angles P-C4'-P energy: -79.465
tors. eta vs tors. theta energy: -110.762
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: 119
Temperature: 1.200000
Total energy: -1370.409413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.409413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.409413 (E_RNA)
where:
Base-Base interactions energy: -869.400
where: short stacking energy: -373.276
Base-Backbone interact. energy: -0.292
local terms energy: -500.717385
where:
bonds (distance) C4'-P energy: -95.316
bonds (distance) P-C4' energy: -107.075
flat angles C4'-P-C4' energy: -105.128
flat angles P-C4'-P energy: -84.928
tors. eta vs tors. theta energy: -108.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1123.226962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.226962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.226962 (E_RNA)
where:
Base-Base interactions energy: -726.327
where: short stacking energy: -328.617
Base-Backbone interact. energy: -1.509
local terms energy: -395.391101
where:
bonds (distance) C4'-P energy: -84.928
bonds (distance) P-C4' energy: -109.400
flat angles C4'-P-C4' energy: -94.592
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: -47.130
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: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1030.629999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.629999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.629999 (E_RNA)
where:
Base-Base interactions energy: -654.579
where: short stacking energy: -316.603
Base-Backbone interact. energy: -2.652
local terms energy: -373.399510
where:
bonds (distance) C4'-P energy: -111.236
bonds (distance) P-C4' energy: -71.827
flat angles C4'-P-C4' energy: -86.040
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -50.103
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: 119
Temperature: 1.350000
Total energy: -781.602632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.602632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.602632 (E_RNA)
where:
Base-Base interactions energy: -435.177
where: short stacking energy: -220.139
Base-Backbone interact. energy: 1.811
local terms energy: -348.236435
where:
bonds (distance) C4'-P energy: -88.500
bonds (distance) P-C4' energy: -89.669
flat angles C4'-P-C4' energy: -108.265
flat angles P-C4'-P energy: -41.302
tors. eta vs tors. theta energy: -20.500
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2103.779582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.779582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.779582 (E_RNA)
where:
Base-Base interactions energy: -1477.742
where: short stacking energy: -603.935
Base-Backbone interact. energy: -4.137
local terms energy: -621.900939
where:
bonds (distance) C4'-P energy: -127.144
bonds (distance) P-C4' energy: -114.635
flat angles C4'-P-C4' energy: -127.490
flat angles P-C4'-P energy: -87.467
tors. eta vs tors. theta energy: -165.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1994.766669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.766669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.766669 (E_RNA)
where:
Base-Base interactions energy: -1378.185
where: short stacking energy: -575.347
Base-Backbone interact. energy: -2.752
local terms energy: -613.829895
where:
bonds (distance) C4'-P energy: -101.475
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -131.336
flat angles P-C4'-P energy: -97.466
tors. eta vs tors. theta energy: -170.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1859.094736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.094736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.094736 (E_RNA)
where:
Base-Base interactions energy: -1276.298
where: short stacking energy: -511.305
Base-Backbone interact. energy: -1.203
local terms energy: -581.592858
where:
bonds (distance) C4'-P energy: -113.732
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -117.028
flat angles P-C4'-P energy: -86.312
tors. eta vs tors. theta energy: -137.954
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: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1766.203063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.203063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.203063 (E_RNA)
where:
Base-Base interactions energy: -1219.782
where: short stacking energy: -500.984
Base-Backbone interact. energy: 1.839
local terms energy: -548.260465
where:
bonds (distance) C4'-P energy: -111.922
bonds (distance) P-C4' energy: -105.983
flat angles C4'-P-C4' energy: -110.000
flat angles P-C4'-P energy: -78.403
tors. eta vs tors. theta energy: -141.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1615.348782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.348782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.348782 (E_RNA)
where:
Base-Base interactions energy: -1100.385
where: short stacking energy: -462.913
Base-Backbone interact. energy: -0.799
local terms energy: -514.165196
where:
bonds (distance) C4'-P energy: -103.803
bonds (distance) P-C4' energy: -96.588
flat angles C4'-P-C4' energy: -118.790
flat angles P-C4'-P energy: -72.559
tors. eta vs tors. theta energy: -122.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1506.722425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.722425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.722425 (E_RNA)
where:
Base-Base interactions energy: -1007.030
where: short stacking energy: -449.517
Base-Backbone interact. energy: 0.046
local terms energy: -499.738314
where:
bonds (distance) C4'-P energy: -106.087
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -107.834
flat angles P-C4'-P energy: -62.414
tors. eta vs tors. theta energy: -124.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1333.909519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.909519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.909519 (E_RNA)
where:
Base-Base interactions energy: -868.600
where: short stacking energy: -372.712
Base-Backbone interact. energy: 3.127
local terms energy: -468.436367
where:
bonds (distance) C4'-P energy: -97.041
bonds (distance) P-C4' energy: -118.714
flat angles C4'-P-C4' energy: -101.700
flat angles P-C4'-P energy: -65.310
tors. eta vs tors. theta energy: -85.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1114.552785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.552785 (E_RNA)
where:
Base-Base interactions energy: -715.335
where: short stacking energy: -328.070
Base-Backbone interact. energy: 2.066
local terms energy: -401.283838
where:
bonds (distance) C4'-P energy: -86.765
bonds (distance) P-C4' energy: -110.145
flat angles C4'-P-C4' energy: -95.053
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -58.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1042.290147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.290147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.290147 (E_RNA)
where:
Base-Base interactions energy: -631.984
where: short stacking energy: -308.244
Base-Backbone interact. energy: -1.913
local terms energy: -408.393885
where:
bonds (distance) C4'-P energy: -92.426
bonds (distance) P-C4' energy: -91.190
flat angles C4'-P-C4' energy: -97.211
flat angles P-C4'-P energy: -66.782
tors. eta vs tors. theta energy: -60.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -782.192103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.192103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.192103 (E_RNA)
where:
Base-Base interactions energy: -445.705
where: short stacking energy: -214.293
Base-Backbone interact. energy: 3.012
local terms energy: -339.499176
where:
bonds (distance) C4'-P energy: -101.925
bonds (distance) P-C4' energy: -99.379
flat angles C4'-P-C4' energy: -70.673
flat angles P-C4'-P energy: -53.895
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2098.814490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.814490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.814490 (E_RNA)
where:
Base-Base interactions energy: -1483.813
where: short stacking energy: -586.518
Base-Backbone interact. energy: -0.397
local terms energy: -614.603772
where:
bonds (distance) C4'-P energy: -123.140
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -130.027
flat angles P-C4'-P energy: -91.378
tors. eta vs tors. theta energy: -162.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1947.990417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.990417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.990417 (E_RNA)
where:
Base-Base interactions energy: -1329.509
where: short stacking energy: -561.533
Base-Backbone interact. energy: -3.597
local terms energy: -614.884939
where:
bonds (distance) C4'-P energy: -109.595
bonds (distance) P-C4' energy: -113.355
flat angles C4'-P-C4' energy: -132.560
flat angles P-C4'-P energy: -99.540
tors. eta vs tors. theta energy: -159.835
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: 121
Temperature: 1.000000
Total energy: -1883.499987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.499987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.499987 (E_RNA)
where:
Base-Base interactions energy: -1284.116
where: short stacking energy: -514.045
Base-Backbone interact. energy: -2.494
local terms energy: -596.889611
where:
bonds (distance) C4'-P energy: -117.118
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -123.030
flat angles P-C4'-P energy: -100.748
tors. eta vs tors. theta energy: -144.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1774.791461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.791461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.791461 (E_RNA)
where:
Base-Base interactions energy: -1199.340
where: short stacking energy: -472.282
Base-Backbone interact. energy: -4.033
local terms energy: -571.419206
where:
bonds (distance) C4'-P energy: -109.191
bonds (distance) P-C4' energy: -122.744
flat angles C4'-P-C4' energy: -119.957
flat angles P-C4'-P energy: -78.289
tors. eta vs tors. theta energy: -141.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1666.417668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.417668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.417668 (E_RNA)
where:
Base-Base interactions energy: -1157.642
where: short stacking energy: -482.554
Base-Backbone interact. energy: 14.718
local terms energy: -523.493877
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -118.279
flat angles C4'-P-C4' energy: -118.569
flat angles P-C4'-P energy: -77.409
tors. eta vs tors. theta energy: -127.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1462.508258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.508258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.508258 (E_RNA)
where:
Base-Base interactions energy: -981.064
where: short stacking energy: -399.055
Base-Backbone interact. energy: -4.533
local terms energy: -476.911396
where:
bonds (distance) C4'-P energy: -105.432
bonds (distance) P-C4' energy: -104.748
flat angles C4'-P-C4' energy: -114.706
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -82.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1398.906905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.906905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.906905 (E_RNA)
where:
Base-Base interactions energy: -912.593
where: short stacking energy: -408.327
Base-Backbone interact. energy: 0.764
local terms energy: -487.077089
where:
bonds (distance) C4'-P energy: -93.340
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -92.645
flat angles P-C4'-P energy: -77.720
tors. eta vs tors. theta energy: -99.827
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: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1178.609521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.609521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.609521 (E_RNA)
where:
Base-Base interactions energy: -725.077
where: short stacking energy: -324.108
Base-Backbone interact. energy: 2.247
local terms energy: -455.779047
where:
bonds (distance) C4'-P energy: -104.309
bonds (distance) P-C4' energy: -123.678
flat angles C4'-P-C4' energy: -96.056
flat angles P-C4'-P energy: -71.178
tors. eta vs tors. theta energy: -60.557
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1002.486724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.486724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.486724 (E_RNA)
where:
Base-Base interactions energy: -633.822
where: short stacking energy: -290.873
Base-Backbone interact. energy: -1.398
local terms energy: -367.266597
where:
bonds (distance) C4'-P energy: -103.724
bonds (distance) P-C4' energy: -89.978
flat angles C4'-P-C4' energy: -89.104
flat angles P-C4'-P energy: -37.751
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -766.471323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.471323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.471323 (E_RNA)
where:
Base-Base interactions energy: -419.778
where: short stacking energy: -231.118
Base-Backbone interact. energy: 3.216
local terms energy: -349.908980
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -107.733
flat angles C4'-P-C4' energy: -87.649
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2120.079956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.079956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.079956 (E_RNA)
where:
Base-Base interactions energy: -1500.132
where: short stacking energy: -604.197
Base-Backbone interact. energy: -2.152
local terms energy: -617.795713
where:
bonds (distance) C4'-P energy: -108.488
bonds (distance) P-C4' energy: -117.071
flat angles C4'-P-C4' energy: -132.126
flat angles P-C4'-P energy: -89.815
tors. eta vs tors. theta energy: -170.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2003.811513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.811513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.811513 (E_RNA)
where:
Base-Base interactions energy: -1394.855
where: short stacking energy: -577.556
Base-Backbone interact. energy: -2.420
local terms energy: -606.536792
where:
bonds (distance) C4'-P energy: -103.929
bonds (distance) P-C4' energy: -120.672
flat angles C4'-P-C4' energy: -124.540
flat angles P-C4'-P energy: -92.163
tors. eta vs tors. theta energy: -165.232
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: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1924.068422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.068422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.068422 (E_RNA)
where:
Base-Base interactions energy: -1331.481
where: short stacking energy: -545.287
Base-Backbone interact. energy: -3.183
local terms energy: -589.404082
where:
bonds (distance) C4'-P energy: -111.723
bonds (distance) P-C4' energy: -114.781
flat angles C4'-P-C4' energy: -122.400
flat angles P-C4'-P energy: -87.033
tors. eta vs tors. theta energy: -153.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1784.313115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.313115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.313115 (E_RNA)
where:
Base-Base interactions energy: -1219.953
where: short stacking energy: -503.983
Base-Backbone interact. energy: -2.347
local terms energy: -562.012692
where:
bonds (distance) C4'-P energy: -101.443
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -119.826
flat angles P-C4'-P energy: -75.253
tors. eta vs tors. theta energy: -157.373
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: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1664.101505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.101505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.101505 (E_RNA)
where:
Base-Base interactions energy: -1142.282
where: short stacking energy: -466.905
Base-Backbone interact. energy: -0.186
local terms energy: -521.633145
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -104.048
flat angles C4'-P-C4' energy: -111.666
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -133.851
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1444.190431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.190431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.190431 (E_RNA)
where:
Base-Base interactions energy: -954.399
where: short stacking energy: -395.334
Base-Backbone interact. energy: 0.043
local terms energy: -489.833812
where:
bonds (distance) C4'-P energy: -120.404
bonds (distance) P-C4' energy: -108.512
flat angles C4'-P-C4' energy: -100.066
flat angles P-C4'-P energy: -75.101
tors. eta vs tors. theta energy: -85.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1295.235836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.235836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.235836 (E_RNA)
where:
Base-Base interactions energy: -836.948
where: short stacking energy: -361.913
Base-Backbone interact. energy: -1.553
local terms energy: -456.734808
where:
bonds (distance) C4'-P energy: -107.901
bonds (distance) P-C4' energy: -99.397
flat angles C4'-P-C4' energy: -100.803
flat angles P-C4'-P energy: -63.083
tors. eta vs tors. theta energy: -85.551
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1140.467938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.467938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.467938 (E_RNA)
where:
Base-Base interactions energy: -733.242
where: short stacking energy: -322.537
Base-Backbone interact. energy: 2.219
local terms energy: -409.445849
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -89.689
flat angles C4'-P-C4' energy: -109.568
flat angles P-C4'-P energy: -50.678
tors. eta vs tors. theta energy: -56.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -954.832071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.832071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.832071 (E_RNA)
where:
Base-Base interactions energy: -603.363
where: short stacking energy: -281.850
Base-Backbone interact. energy: -3.933
local terms energy: -347.536068
where:
bonds (distance) C4'-P energy: -88.642
bonds (distance) P-C4' energy: -119.431
flat angles C4'-P-C4' energy: -68.551
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -34.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -779.133240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.133240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.133240 (E_RNA)
where:
Base-Base interactions energy: -454.388
where: short stacking energy: -215.719
Base-Backbone interact. energy: -0.284
local terms energy: -324.461199
where:
bonds (distance) C4'-P energy: -91.538
bonds (distance) P-C4' energy: -88.760
flat angles C4'-P-C4' energy: -88.287
flat angles P-C4'-P energy: -46.072
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2106.620185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.620185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.620185 (E_RNA)
where:
Base-Base interactions energy: -1471.699
where: short stacking energy: -589.043
Base-Backbone interact. energy: -4.229
local terms energy: -630.692777
where:
bonds (distance) C4'-P energy: -116.434
bonds (distance) P-C4' energy: -124.029
flat angles C4'-P-C4' energy: -135.730
flat angles P-C4'-P energy: -83.434
tors. eta vs tors. theta energy: -171.066
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1972.134551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.134551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.134551 (E_RNA)
where:
Base-Base interactions energy: -1348.555
where: short stacking energy: -565.792
Base-Backbone interact. energy: -3.297
local terms energy: -620.282845
where:
bonds (distance) C4'-P energy: -118.711
bonds (distance) P-C4' energy: -112.509
flat angles C4'-P-C4' energy: -136.136
flat angles P-C4'-P energy: -85.723
tors. eta vs tors. theta energy: -167.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1942.667593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.667593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.667593 (E_RNA)
where:
Base-Base interactions energy: -1353.575
where: short stacking energy: -566.180
Base-Backbone interact. energy: -2.656
local terms energy: -586.436155
where:
bonds (distance) C4'-P energy: -109.147
bonds (distance) P-C4' energy: -113.022
flat angles C4'-P-C4' energy: -119.347
flat angles P-C4'-P energy: -91.862
tors. eta vs tors. theta energy: -153.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1762.377209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.377209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.377209 (E_RNA)
where:
Base-Base interactions energy: -1204.200
where: short stacking energy: -497.090
Base-Backbone interact. energy: -3.121
local terms energy: -555.056240
where:
bonds (distance) C4'-P energy: -108.506
bonds (distance) P-C4' energy: -101.601
flat angles C4'-P-C4' energy: -127.126
flat angles P-C4'-P energy: -73.511
tors. eta vs tors. theta energy: -144.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1672.178559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.178559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.178559 (E_RNA)
where:
Base-Base interactions energy: -1132.326
where: short stacking energy: -476.958
Base-Backbone interact. energy: 1.242
local terms energy: -541.094925
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -111.795
flat angles C4'-P-C4' energy: -117.746
flat angles P-C4'-P energy: -89.910
tors. eta vs tors. theta energy: -129.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1497.420981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.420981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.420981 (E_RNA)
where:
Base-Base interactions energy: -995.706
where: short stacking energy: -420.680
Base-Backbone interact. energy: 1.770
local terms energy: -503.485246
where:
bonds (distance) C4'-P energy: -99.823
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -104.340
flat angles P-C4'-P energy: -69.210
tors. eta vs tors. theta energy: -109.305
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: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1368.071085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.071085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.071085 (E_RNA)
where:
Base-Base interactions energy: -898.162
where: short stacking energy: -387.389
Base-Backbone interact. energy: -2.327
local terms energy: -467.582759
where:
bonds (distance) C4'-P energy: -104.771
bonds (distance) P-C4' energy: -94.840
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -91.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1173.610595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.610595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.610595 (E_RNA)
where:
Base-Base interactions energy: -726.375
where: short stacking energy: -357.632
Base-Backbone interact. energy: -0.178
local terms energy: -447.057123
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -117.427
flat angles C4'-P-C4' energy: -100.498
flat angles P-C4'-P energy: -69.161
tors. eta vs tors. theta energy: -76.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1025.801549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.801549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.801549 (E_RNA)
where:
Base-Base interactions energy: -627.408
where: short stacking energy: -289.034
Base-Backbone interact. energy: 5.108
local terms energy: -403.501084
where:
bonds (distance) C4'-P energy: -83.507
bonds (distance) P-C4' energy: -90.465
flat angles C4'-P-C4' energy: -102.784
flat angles P-C4'-P energy: -72.266
tors. eta vs tors. theta energy: -54.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -794.002799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.002799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.002799 (E_RNA)
where:
Base-Base interactions energy: -440.853
where: short stacking energy: -210.603
Base-Backbone interact. energy: 2.723
local terms energy: -355.873256
where:
bonds (distance) C4'-P energy: -96.326
bonds (distance) P-C4' energy: -113.596
flat angles C4'-P-C4' energy: -80.890
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2105.280713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.280713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.280713 (E_RNA)
where:
Base-Base interactions energy: -1487.007
where: short stacking energy: -600.897
Base-Backbone interact. energy: -3.584
local terms energy: -614.689380
where:
bonds (distance) C4'-P energy: -113.220
bonds (distance) P-C4' energy: -120.150
flat angles C4'-P-C4' energy: -129.337
flat angles P-C4'-P energy: -92.218
tors. eta vs tors. theta energy: -159.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1991.912889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.912889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.912889 (E_RNA)
where:
Base-Base interactions energy: -1390.365
where: short stacking energy: -574.431
Base-Backbone interact. energy: -3.312
local terms energy: -598.235009
where:
bonds (distance) C4'-P energy: -115.129
bonds (distance) P-C4' energy: -123.788
flat angles C4'-P-C4' energy: -123.181
flat angles P-C4'-P energy: -75.340
tors. eta vs tors. theta energy: -160.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1933.818255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.818255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.818255 (E_RNA)
where:
Base-Base interactions energy: -1342.133
where: short stacking energy: -572.936
Base-Backbone interact. energy: -1.141
local terms energy: -590.545024
where:
bonds (distance) C4'-P energy: -111.232
bonds (distance) P-C4' energy: -109.896
flat angles C4'-P-C4' energy: -122.825
flat angles P-C4'-P energy: -84.031
tors. eta vs tors. theta energy: -162.561
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: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1796.288813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.288813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.288813 (E_RNA)
where:
Base-Base interactions energy: -1240.268
where: short stacking energy: -520.710
Base-Backbone interact. energy: -1.461
local terms energy: -554.559382
where:
bonds (distance) C4'-P energy: -99.761
bonds (distance) P-C4' energy: -114.122
flat angles C4'-P-C4' energy: -121.019
flat angles P-C4'-P energy: -81.787
tors. eta vs tors. theta energy: -137.871
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1644.487991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.487991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.487991 (E_RNA)
where:
Base-Base interactions energy: -1136.665
where: short stacking energy: -463.577
Base-Backbone interact. energy: -0.267
local terms energy: -507.556599
where:
bonds (distance) C4'-P energy: -106.676
bonds (distance) P-C4' energy: -110.006
flat angles C4'-P-C4' energy: -109.101
flat angles P-C4'-P energy: -72.178
tors. eta vs tors. theta energy: -109.595
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1459.251786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.251786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.251786 (E_RNA)
where:
Base-Base interactions energy: -980.526
where: short stacking energy: -425.333
Base-Backbone interact. energy: -1.069
local terms energy: -477.657513
where:
bonds (distance) C4'-P energy: -105.453
bonds (distance) P-C4' energy: -97.873
flat angles C4'-P-C4' energy: -103.475
flat angles P-C4'-P energy: -59.465
tors. eta vs tors. theta energy: -111.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1342.656017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.656017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.656017 (E_RNA)
where:
Base-Base interactions energy: -879.982
where: short stacking energy: -378.587
Base-Backbone interact. energy: -0.736
local terms energy: -461.938345
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -81.767
flat angles C4'-P-C4' energy: -112.549
flat angles P-C4'-P energy: -79.903
tors. eta vs tors. theta energy: -96.194
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1144.912757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.912757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.912757 (E_RNA)
where:
Base-Base interactions energy: -712.096
where: short stacking energy: -328.707
Base-Backbone interact. energy: 2.366
local terms energy: -435.182809
where:
bonds (distance) C4'-P energy: -99.324
bonds (distance) P-C4' energy: -115.504
flat angles C4'-P-C4' energy: -89.163
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -66.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1064.563170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.563170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.563170 (E_RNA)
where:
Base-Base interactions energy: -674.717
where: short stacking energy: -300.226
Base-Backbone interact. energy: 3.256
local terms energy: -393.101586
where:
bonds (distance) C4'-P energy: -92.897
bonds (distance) P-C4' energy: -104.980
flat angles C4'-P-C4' energy: -95.575
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -52.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -797.110358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.110358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.110358 (E_RNA)
where:
Base-Base interactions energy: -456.203
where: short stacking energy: -220.211
Base-Backbone interact. energy: -5.006
local terms energy: -335.901371
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -90.794
flat angles C4'-P-C4' energy: -96.739
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -14.266
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2066.216290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.216290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.216290 (E_RNA)
where:
Base-Base interactions energy: -1480.198
where: short stacking energy: -560.865
Base-Backbone interact. energy: -2.742
local terms energy: -583.276379
where:
bonds (distance) C4'-P energy: -109.576
bonds (distance) P-C4' energy: -102.980
flat angles C4'-P-C4' energy: -125.045
flat angles P-C4'-P energy: -84.817
tors. eta vs tors. theta energy: -160.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2002.359132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.359132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.359132 (E_RNA)
where:
Base-Base interactions energy: -1384.417
where: short stacking energy: -568.014
Base-Backbone interact. energy: -4.347
local terms energy: -613.594938
where:
bonds (distance) C4'-P energy: -118.495
bonds (distance) P-C4' energy: -107.963
flat angles C4'-P-C4' energy: -128.815
flat angles P-C4'-P energy: -87.361
tors. eta vs tors. theta energy: -170.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1953.637021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.637021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.637021 (E_RNA)
where:
Base-Base interactions energy: -1358.618
where: short stacking energy: -558.035
Base-Backbone interact. energy: -3.916
local terms energy: -591.103160
where:
bonds (distance) C4'-P energy: -101.753
bonds (distance) P-C4' energy: -119.611
flat angles C4'-P-C4' energy: -131.141
flat angles P-C4'-P energy: -81.363
tors. eta vs tors. theta energy: -157.235
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: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1790.621770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.621770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.621770 (E_RNA)
where:
Base-Base interactions energy: -1225.165
where: short stacking energy: -537.168
Base-Backbone interact. energy: -3.976
local terms energy: -561.481318
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -121.011
flat angles C4'-P-C4' energy: -119.550
flat angles P-C4'-P energy: -69.818
tors. eta vs tors. theta energy: -155.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1678.177590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.177590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.177590 (E_RNA)
where:
Base-Base interactions energy: -1150.944
where: short stacking energy: -470.436
Base-Backbone interact. energy: -0.421
local terms energy: -526.812256
where:
bonds (distance) C4'-P energy: -93.426
bonds (distance) P-C4' energy: -105.704
flat angles C4'-P-C4' energy: -121.081
flat angles P-C4'-P energy: -87.755
tors. eta vs tors. theta energy: -118.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1443.714674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.714674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.714674 (E_RNA)
where:
Base-Base interactions energy: -957.221
where: short stacking energy: -390.131
Base-Backbone interact. energy: 0.458
local terms energy: -486.951447
where:
bonds (distance) C4'-P energy: -110.075
bonds (distance) P-C4' energy: -98.770
flat angles C4'-P-C4' energy: -106.296
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -101.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1331.664872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.664872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.664872 (E_RNA)
where:
Base-Base interactions energy: -865.045
where: short stacking energy: -381.409
Base-Backbone interact. energy: 6.244
local terms energy: -472.864035
where:
bonds (distance) C4'-P energy: -103.795
bonds (distance) P-C4' energy: -107.573
flat angles C4'-P-C4' energy: -112.109
flat angles P-C4'-P energy: -57.321
tors. eta vs tors. theta energy: -92.066
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: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1138.056585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.056585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.056585 (E_RNA)
where:
Base-Base interactions energy: -739.691
where: short stacking energy: -329.328
Base-Backbone interact. energy: 1.325
local terms energy: -399.690786
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -102.147
flat angles P-C4'-P energy: -54.393
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: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1046.498772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.498772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.498772 (E_RNA)
where:
Base-Base interactions energy: -681.743
where: short stacking energy: -298.276
Base-Backbone interact. energy: -1.504
local terms energy: -363.251970
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -88.905
flat angles C4'-P-C4' energy: -82.814
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -57.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -801.372234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.372234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.372234 (E_RNA)
where:
Base-Base interactions energy: -466.529
where: short stacking energy: -236.869
Base-Backbone interact. energy: 5.598
local terms energy: -340.441365
where:
bonds (distance) C4'-P energy: -94.781
bonds (distance) P-C4' energy: -102.075
flat angles C4'-P-C4' energy: -84.874
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2071.926807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.926807 (E_RNA)
where:
Base-Base interactions energy: -1453.205
where: short stacking energy: -570.983
Base-Backbone interact. energy: -0.206
local terms energy: -618.515747
where:
bonds (distance) C4'-P energy: -113.851
bonds (distance) P-C4' energy: -121.171
flat angles C4'-P-C4' energy: -131.312
flat angles P-C4'-P energy: -83.010
tors. eta vs tors. theta energy: -169.173
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: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2000.973468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.973468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.973468 (E_RNA)
where:
Base-Base interactions energy: -1395.941
where: short stacking energy: -556.524
Base-Backbone interact. energy: -4.783
local terms energy: -600.249447
where:
bonds (distance) C4'-P energy: -118.295
bonds (distance) P-C4' energy: -111.878
flat angles C4'-P-C4' energy: -126.980
flat angles P-C4'-P energy: -81.212
tors. eta vs tors. theta energy: -161.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1902.547893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.547893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.547893 (E_RNA)
where:
Base-Base interactions energy: -1329.211
where: short stacking energy: -532.526
Base-Backbone interact. energy: -4.053
local terms energy: -569.284037
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -95.940
flat angles C4'-P-C4' energy: -115.035
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -157.806
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: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1801.387727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.387727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.387727 (E_RNA)
where:
Base-Base interactions energy: -1229.768
where: short stacking energy: -534.713
Base-Backbone interact. energy: -0.946
local terms energy: -570.672845
where:
bonds (distance) C4'-P energy: -107.547
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -119.517
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -152.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1694.758855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.758855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.758855 (E_RNA)
where:
Base-Base interactions energy: -1168.469
where: short stacking energy: -481.087
Base-Backbone interact. energy: 2.989
local terms energy: -529.278528
where:
bonds (distance) C4'-P energy: -98.119
bonds (distance) P-C4' energy: -113.295
flat angles C4'-P-C4' energy: -121.365
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -124.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1453.600105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.600105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.600105 (E_RNA)
where:
Base-Base interactions energy: -966.720
where: short stacking energy: -419.194
Base-Backbone interact. energy: 1.345
local terms energy: -488.225244
where:
bonds (distance) C4'-P energy: -90.233
bonds (distance) P-C4' energy: -97.840
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -73.972
tors. eta vs tors. theta energy: -104.650
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: 126
Temperature: 1.200000
Total energy: -1346.707167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.707167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.707167 (E_RNA)
where:
Base-Base interactions energy: -874.204
where: short stacking energy: -395.453
Base-Backbone interact. energy: -3.031
local terms energy: -469.471610
where:
bonds (distance) C4'-P energy: -100.195
bonds (distance) P-C4' energy: -111.224
flat angles C4'-P-C4' energy: -105.613
flat angles P-C4'-P energy: -72.569
tors. eta vs tors. theta energy: -79.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1157.060859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.060859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.060859 (E_RNA)
where:
Base-Base interactions energy: -724.358
where: short stacking energy: -338.542
Base-Backbone interact. energy: 2.659
local terms energy: -435.362597
where:
bonds (distance) C4'-P energy: -80.771
bonds (distance) P-C4' energy: -114.315
flat angles C4'-P-C4' energy: -109.134
flat angles P-C4'-P energy: -53.763
tors. eta vs tors. theta energy: -77.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1028.099078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.099078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.099078 (E_RNA)
where:
Base-Base interactions energy: -633.909
where: short stacking energy: -285.126
Base-Backbone interact. energy: -2.420
local terms energy: -391.770301
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -104.865
flat angles C4'-P-C4' energy: -94.619
flat angles P-C4'-P energy: -50.191
tors. eta vs tors. theta energy: -51.697
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: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -816.778638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.778638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.778638 (E_RNA)
where:
Base-Base interactions energy: -474.694
where: short stacking energy: -229.028
Base-Backbone interact. energy: -0.351
local terms energy: -341.733723
where:
bonds (distance) C4'-P energy: -97.618
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -77.409
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2085.062449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.062449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.062449 (E_RNA)
where:
Base-Base interactions energy: -1458.078
where: short stacking energy: -580.249
Base-Backbone interact. energy: -0.518
local terms energy: -626.466486
where:
bonds (distance) C4'-P energy: -118.201
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -99.372
tors. eta vs tors. theta energy: -159.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2002.714021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.714021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.714021 (E_RNA)
where:
Base-Base interactions energy: -1405.576
where: short stacking energy: -560.260
Base-Backbone interact. energy: -1.041
local terms energy: -596.096903
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -117.926
flat angles C4'-P-C4' energy: -126.645
flat angles P-C4'-P energy: -82.881
tors. eta vs tors. theta energy: -158.265
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1926.150440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.150440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.150440 (E_RNA)
where:
Base-Base interactions energy: -1347.764
where: short stacking energy: -543.043
Base-Backbone interact. energy: -2.446
local terms energy: -575.940888
where:
bonds (distance) C4'-P energy: -107.212
bonds (distance) P-C4' energy: -113.396
flat angles C4'-P-C4' energy: -124.372
flat angles P-C4'-P energy: -72.980
tors. eta vs tors. theta energy: -157.981
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: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1768.699949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.699949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.699949 (E_RNA)
where:
Base-Base interactions energy: -1211.360
where: short stacking energy: -537.968
Base-Backbone interact. energy: -3.662
local terms energy: -553.677875
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -103.855
flat angles C4'-P-C4' energy: -110.269
flat angles P-C4'-P energy: -89.543
tors. eta vs tors. theta energy: -151.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1666.269961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.269961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.269961 (E_RNA)
where:
Base-Base interactions energy: -1119.323
where: short stacking energy: -477.948
Base-Backbone interact. energy: 0.543
local terms energy: -547.490259
where:
bonds (distance) C4'-P energy: -100.673
bonds (distance) P-C4' energy: -124.598
flat angles C4'-P-C4' energy: -124.717
flat angles P-C4'-P energy: -70.145
tors. eta vs tors. theta energy: -127.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1477.280291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.280291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.280291 (E_RNA)
where:
Base-Base interactions energy: -978.616
where: short stacking energy: -442.826
Base-Backbone interact. energy: 0.258
local terms energy: -498.921707
where:
bonds (distance) C4'-P energy: -89.891
bonds (distance) P-C4' energy: -104.039
flat angles C4'-P-C4' energy: -118.324
flat angles P-C4'-P energy: -67.348
tors. eta vs tors. theta energy: -119.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1355.363795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.363795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.363795 (E_RNA)
where:
Base-Base interactions energy: -915.978
where: short stacking energy: -404.831
Base-Backbone interact. energy: -2.099
local terms energy: -437.286940
where:
bonds (distance) C4'-P energy: -103.233
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -104.393
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: -80.188
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: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1126.472332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.472332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.472332 (E_RNA)
where:
Base-Base interactions energy: -722.234
where: short stacking energy: -336.950
Base-Backbone interact. energy: 1.411
local terms energy: -405.649032
where:
bonds (distance) C4'-P energy: -89.064
bonds (distance) P-C4' energy: -87.489
flat angles C4'-P-C4' energy: -103.296
flat angles P-C4'-P energy: -55.434
tors. eta vs tors. theta energy: -70.366
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: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1005.658113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.658113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.658113 (E_RNA)
where:
Base-Base interactions energy: -658.614
where: short stacking energy: -317.892
Base-Backbone interact. energy: -0.465
local terms energy: -346.579168
where:
bonds (distance) C4'-P energy: -92.997
bonds (distance) P-C4' energy: -80.500
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -59.926
tors. eta vs tors. theta energy: -35.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -808.208620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.208620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.208620 (E_RNA)
where:
Base-Base interactions energy: -471.081
where: short stacking energy: -240.366
Base-Backbone interact. energy: -0.337
local terms energy: -336.791224
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -99.784
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -7.935
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2096.495787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.495787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.495787 (E_RNA)
where:
Base-Base interactions energy: -1486.066
where: short stacking energy: -573.087
Base-Backbone interact. energy: -1.530
local terms energy: -608.899970
where:
bonds (distance) C4'-P energy: -117.023
bonds (distance) P-C4' energy: -108.736
flat angles C4'-P-C4' energy: -134.007
flat angles P-C4'-P energy: -88.792
tors. eta vs tors. theta energy: -160.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1998.961779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.961779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.961779 (E_RNA)
where:
Base-Base interactions energy: -1405.207
where: short stacking energy: -560.806
Base-Backbone interact. energy: -4.211
local terms energy: -589.544141
where:
bonds (distance) C4'-P energy: -107.642
bonds (distance) P-C4' energy: -110.337
flat angles C4'-P-C4' energy: -131.732
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -160.262
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: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1940.165343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.165343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.165343 (E_RNA)
where:
Base-Base interactions energy: -1330.446
where: short stacking energy: -532.568
Base-Backbone interact. energy: -2.897
local terms energy: -606.822005
where:
bonds (distance) C4'-P energy: -110.825
bonds (distance) P-C4' energy: -123.121
flat angles C4'-P-C4' energy: -126.971
flat angles P-C4'-P energy: -87.766
tors. eta vs tors. theta energy: -158.139
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: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1805.967818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.967818 (E_RNA)
where:
Base-Base interactions energy: -1241.311
where: short stacking energy: -521.304
Base-Backbone interact. energy: 0.183
local terms energy: -564.839661
where:
bonds (distance) C4'-P energy: -106.987
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -116.766
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -149.991
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1678.003724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.003724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.003724 (E_RNA)
where:
Base-Base interactions energy: -1145.988
where: short stacking energy: -452.112
Base-Backbone interact. energy: -1.414
local terms energy: -530.601291
where:
bonds (distance) C4'-P energy: -87.926
bonds (distance) P-C4' energy: -109.464
flat angles C4'-P-C4' energy: -121.702
flat angles P-C4'-P energy: -85.525
tors. eta vs tors. theta energy: -125.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1495.177213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.177213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.177213 (E_RNA)
where:
Base-Base interactions energy: -987.056
where: short stacking energy: -418.095
Base-Backbone interact. energy: -2.553
local terms energy: -505.568773
where:
bonds (distance) C4'-P energy: -98.661
bonds (distance) P-C4' energy: -102.546
flat angles C4'-P-C4' energy: -122.660
flat angles P-C4'-P energy: -71.502
tors. eta vs tors. theta energy: -110.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1257.357233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.357233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.357233 (E_RNA)
where:
Base-Base interactions energy: -831.480
where: short stacking energy: -359.260
Base-Backbone interact. energy: -4.026
local terms energy: -421.851534
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -81.154
flat angles C4'-P-C4' energy: -104.883
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -76.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1121.428789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.428789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.428789 (E_RNA)
where:
Base-Base interactions energy: -715.219
where: short stacking energy: -345.251
Base-Backbone interact. energy: -2.599
local terms energy: -403.611434
where:
bonds (distance) C4'-P energy: -94.218
bonds (distance) P-C4' energy: -93.824
flat angles C4'-P-C4' energy: -101.179
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -73.012
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -947.390257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.390257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.390257 (E_RNA)
where:
Base-Base interactions energy: -564.833
where: short stacking energy: -257.317
Base-Backbone interact. energy: 8.648
local terms energy: -391.204810
where:
bonds (distance) C4'-P energy: -105.964
bonds (distance) P-C4' energy: -83.412
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -743.810221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.810221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.810221 (E_RNA)
where:
Base-Base interactions energy: -368.030
where: short stacking energy: -212.090
Base-Backbone interact. energy: 0.453
local terms energy: -376.232731
where:
bonds (distance) C4'-P energy: -88.561
bonds (distance) P-C4' energy: -100.071
flat angles C4'-P-C4' energy: -106.261
flat angles P-C4'-P energy: -59.773
tors. eta vs tors. theta energy: -21.567
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: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2097.218132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.218132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.218132 (E_RNA)
where:
Base-Base interactions energy: -1469.508
where: short stacking energy: -583.931
Base-Backbone interact. energy: 0.268
local terms energy: -627.978240
where:
bonds (distance) C4'-P energy: -127.999
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -131.581
flat angles P-C4'-P energy: -91.017
tors. eta vs tors. theta energy: -162.973
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: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1982.743136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.743136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.743136 (E_RNA)
where:
Base-Base interactions energy: -1376.259
where: short stacking energy: -558.776
Base-Backbone interact. energy: -5.911
local terms energy: -600.573109
where:
bonds (distance) C4'-P energy: -123.065
bonds (distance) P-C4' energy: -107.981
flat angles C4'-P-C4' energy: -125.589
flat angles P-C4'-P energy: -91.319
tors. eta vs tors. theta energy: -152.619
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: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1909.430021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.430021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.430021 (E_RNA)
where:
Base-Base interactions energy: -1311.136
where: short stacking energy: -513.445
Base-Backbone interact. energy: -2.587
local terms energy: -595.706291
where:
bonds (distance) C4'-P energy: -121.663
bonds (distance) P-C4' energy: -121.136
flat angles C4'-P-C4' energy: -118.627
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -153.029
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: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1776.586361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.586361 (E_RNA)
where:
Base-Base interactions energy: -1224.267
where: short stacking energy: -508.851
Base-Backbone interact. energy: -0.226
local terms energy: -552.093720
where:
bonds (distance) C4'-P energy: -108.925
bonds (distance) P-C4' energy: -100.650
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -152.123
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: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1715.840559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.840559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.840559 (E_RNA)
where:
Base-Base interactions energy: -1177.818
where: short stacking energy: -465.205
Base-Backbone interact. energy: 5.683
local terms energy: -543.704927
where:
bonds (distance) C4'-P energy: -102.552
bonds (distance) P-C4' energy: -106.655
flat angles C4'-P-C4' energy: -122.816
flat angles P-C4'-P energy: -83.856
tors. eta vs tors. theta energy: -127.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1537.655175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.655175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.655175 (E_RNA)
where:
Base-Base interactions energy: -1007.166
where: short stacking energy: -446.530
Base-Backbone interact. energy: -1.875
local terms energy: -528.614084
where:
bonds (distance) C4'-P energy: -101.334
bonds (distance) P-C4' energy: -108.381
flat angles C4'-P-C4' energy: -125.021
flat angles P-C4'-P energy: -80.129
tors. eta vs tors. theta energy: -113.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1325.999682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.999682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.999682 (E_RNA)
where:
Base-Base interactions energy: -883.246
where: short stacking energy: -382.278
Base-Backbone interact. energy: -1.417
local terms energy: -441.336599
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -91.978
flat angles C4'-P-C4' energy: -99.410
flat angles P-C4'-P energy: -60.575
tors. eta vs tors. theta energy: -91.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1071.413872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.413872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.413872 (E_RNA)
where:
Base-Base interactions energy: -666.998
where: short stacking energy: -288.053
Base-Backbone interact. energy: 0.365
local terms energy: -404.781532
where:
bonds (distance) C4'-P energy: -104.757
bonds (distance) P-C4' energy: -109.738
flat angles C4'-P-C4' energy: -80.464
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: -45.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -963.603706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.603706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.603706 (E_RNA)
where:
Base-Base interactions energy: -586.761
where: short stacking energy: -269.245
Base-Backbone interact. energy: -2.687
local terms energy: -374.155484
where:
bonds (distance) C4'-P energy: -81.807
bonds (distance) P-C4' energy: -102.396
flat angles C4'-P-C4' energy: -100.351
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -34.582
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: 129
Temperature: 1.350000
Total energy: -801.159640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.159640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.159640 (E_RNA)
where:
Base-Base interactions energy: -452.086
where: short stacking energy: -227.645
Base-Backbone interact. energy: -1.659
local terms energy: -347.414765
where:
bonds (distance) C4'-P energy: -72.210
bonds (distance) P-C4' energy: -98.229
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -62.921
tors. eta vs tors. theta energy: -32.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2112.428690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.428690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.428690 (E_RNA)
where:
Base-Base interactions energy: -1463.112
where: short stacking energy: -574.835
Base-Backbone interact. energy: -1.793
local terms energy: -647.523268
where:
bonds (distance) C4'-P energy: -113.614
bonds (distance) P-C4' energy: -131.004
flat angles C4'-P-C4' energy: -132.783
flat angles P-C4'-P energy: -93.091
tors. eta vs tors. theta energy: -177.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1977.244414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.244414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.244414 (E_RNA)
where:
Base-Base interactions energy: -1358.786
where: short stacking energy: -557.563
Base-Backbone interact. energy: -3.496
local terms energy: -614.962280
where:
bonds (distance) C4'-P energy: -119.812
bonds (distance) P-C4' energy: -109.463
flat angles C4'-P-C4' energy: -130.846
flat angles P-C4'-P energy: -86.721
tors. eta vs tors. theta energy: -168.120
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: 130
Temperature: 1.000000
Total energy: -1900.819433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.819433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.819433 (E_RNA)
where:
Base-Base interactions energy: -1320.687
where: short stacking energy: -535.615
Base-Backbone interact. energy: -3.755
local terms energy: -576.377377
where:
bonds (distance) C4'-P energy: -103.774
bonds (distance) P-C4' energy: -113.379
flat angles C4'-P-C4' energy: -119.941
flat angles P-C4'-P energy: -82.698
tors. eta vs tors. theta energy: -156.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1811.581515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.581515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.581515 (E_RNA)
where:
Base-Base interactions energy: -1267.046
where: short stacking energy: -549.930
Base-Backbone interact. energy: -3.518
local terms energy: -541.017895
where:
bonds (distance) C4'-P energy: -102.156
bonds (distance) P-C4' energy: -89.575
flat angles C4'-P-C4' energy: -131.444
flat angles P-C4'-P energy: -63.937
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: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1747.362922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.362922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.362922 (E_RNA)
where:
Base-Base interactions energy: -1201.223
where: short stacking energy: -503.525
Base-Backbone interact. energy: 1.965
local terms energy: -548.104558
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -120.223
flat angles C4'-P-C4' energy: -116.773
flat angles P-C4'-P energy: -70.555
tors. eta vs tors. theta energy: -130.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1502.169230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.169230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.169230 (E_RNA)
where:
Base-Base interactions energy: -1017.822
where: short stacking energy: -437.311
Base-Backbone interact. energy: -3.346
local terms energy: -481.000954
where:
bonds (distance) C4'-P energy: -88.999
bonds (distance) P-C4' energy: -105.192
flat angles C4'-P-C4' energy: -116.580
flat angles P-C4'-P energy: -65.831
tors. eta vs tors. theta energy: -104.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1355.392362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.392362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.392362 (E_RNA)
where:
Base-Base interactions energy: -909.551
where: short stacking energy: -412.122
Base-Backbone interact. energy: -0.339
local terms energy: -445.501778
where:
bonds (distance) C4'-P energy: -79.547
bonds (distance) P-C4' energy: -112.185
flat angles C4'-P-C4' energy: -96.834
flat angles P-C4'-P energy: -65.592
tors. eta vs tors. theta energy: -91.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1081.779830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.779830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.779830 (E_RNA)
where:
Base-Base interactions energy: -688.028
where: short stacking energy: -307.822
Base-Backbone interact. energy: 1.694
local terms energy: -395.444966
where:
bonds (distance) C4'-P energy: -84.347
bonds (distance) P-C4' energy: -85.930
flat angles C4'-P-C4' energy: -93.600
flat angles P-C4'-P energy: -82.666
tors. eta vs tors. theta energy: -48.901
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: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -928.101515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.101515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.101515 (E_RNA)
where:
Base-Base interactions energy: -558.193
where: short stacking energy: -265.288
Base-Backbone interact. energy: -0.725
local terms energy: -369.184355
where:
bonds (distance) C4'-P energy: -98.216
bonds (distance) P-C4' energy: -112.511
flat angles C4'-P-C4' energy: -91.233
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -788.565326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.565326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.565326 (E_RNA)
where:
Base-Base interactions energy: -455.401
where: short stacking energy: -207.277
Base-Backbone interact. energy: 3.490
local terms energy: -336.654780
where:
bonds (distance) C4'-P energy: -95.855
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -85.745
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2081.104871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.104871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.104871 (E_RNA)
where:
Base-Base interactions energy: -1447.200
where: short stacking energy: -584.761
Base-Backbone interact. energy: -0.839
local terms energy: -633.065399
where:
bonds (distance) C4'-P energy: -113.481
bonds (distance) P-C4' energy: -116.622
flat angles C4'-P-C4' energy: -138.306
flat angles P-C4'-P energy: -96.335
tors. eta vs tors. theta energy: -168.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1999.575723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.575723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.575723 (E_RNA)
where:
Base-Base interactions energy: -1394.106
where: short stacking energy: -561.318
Base-Backbone interact. energy: -1.728
local terms energy: -603.741537
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -132.072
flat angles C4'-P-C4' energy: -121.360
flat angles P-C4'-P energy: -81.148
tors. eta vs tors. theta energy: -164.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1911.774749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.774749 (E_RNA)
where:
Base-Base interactions energy: -1322.618
where: short stacking energy: -534.303
Base-Backbone interact. energy: -3.650
local terms energy: -585.507095
where:
bonds (distance) C4'-P energy: -102.645
bonds (distance) P-C4' energy: -109.311
flat angles C4'-P-C4' energy: -128.660
flat angles P-C4'-P energy: -84.616
tors. eta vs tors. theta energy: -160.275
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: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1801.319479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.319479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.319479 (E_RNA)
where:
Base-Base interactions energy: -1253.944
where: short stacking energy: -516.407
Base-Backbone interact. energy: -1.396
local terms energy: -545.980250
where:
bonds (distance) C4'-P energy: -97.894
bonds (distance) P-C4' energy: -105.828
flat angles C4'-P-C4' energy: -127.125
flat angles P-C4'-P energy: -66.320
tors. eta vs tors. theta energy: -148.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1752.883693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.883693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.883693 (E_RNA)
where:
Base-Base interactions energy: -1218.891
where: short stacking energy: -479.246
Base-Backbone interact. energy: -2.514
local terms energy: -531.478694
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -106.265
flat angles C4'-P-C4' energy: -120.766
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -133.801
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: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1471.669559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.669559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.669559 (E_RNA)
where:
Base-Base interactions energy: -1003.789
where: short stacking energy: -414.945
Base-Backbone interact. energy: 1.058
local terms energy: -468.939053
where:
bonds (distance) C4'-P energy: -104.258
bonds (distance) P-C4' energy: -95.435
flat angles C4'-P-C4' energy: -112.945
flat angles P-C4'-P energy: -65.203
tors. eta vs tors. theta energy: -91.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1341.978988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.978988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.978988 (E_RNA)
where:
Base-Base interactions energy: -887.794
where: short stacking energy: -371.633
Base-Backbone interact. energy: 0.102
local terms energy: -454.286525
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -103.283
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -91.569
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1143.424067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.424067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.424067 (E_RNA)
where:
Base-Base interactions energy: -711.195
where: short stacking energy: -325.113
Base-Backbone interact. energy: 3.237
local terms energy: -435.466076
where:
bonds (distance) C4'-P energy: -79.723
bonds (distance) P-C4' energy: -111.210
flat angles C4'-P-C4' energy: -101.099
flat angles P-C4'-P energy: -74.636
tors. eta vs tors. theta energy: -68.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -948.111357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.111357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.111357 (E_RNA)
where:
Base-Base interactions energy: -572.014
where: short stacking energy: -261.983
Base-Backbone interact. energy: 1.643
local terms energy: -377.740515
where:
bonds (distance) C4'-P energy: -99.641
bonds (distance) P-C4' energy: -94.389
flat angles C4'-P-C4' energy: -70.912
flat angles P-C4'-P energy: -67.807
tors. eta vs tors. theta energy: -44.991
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: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -758.291275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.291275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.291275 (E_RNA)
where:
Base-Base interactions energy: -412.667
where: short stacking energy: -212.694
Base-Backbone interact. energy: 1.735
local terms energy: -347.359958
where:
bonds (distance) C4'-P energy: -84.760
bonds (distance) P-C4' energy: -109.361
flat angles C4'-P-C4' energy: -88.335
flat angles P-C4'-P energy: -53.022
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2090.625255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.625255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.625255 (E_RNA)
where:
Base-Base interactions energy: -1452.265
where: short stacking energy: -592.432
Base-Backbone interact. energy: -5.487
local terms energy: -632.873377
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -117.111
flat angles C4'-P-C4' energy: -138.208
flat angles P-C4'-P energy: -91.588
tors. eta vs tors. theta energy: -178.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2011.887250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.887250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.887250 (E_RNA)
where:
Base-Base interactions energy: -1403.184
where: short stacking energy: -569.600
Base-Backbone interact. energy: -1.401
local terms energy: -607.301723
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -118.410
flat angles C4'-P-C4' energy: -136.282
flat angles P-C4'-P energy: -80.058
tors. eta vs tors. theta energy: -168.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1906.422584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.422584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.422584 (E_RNA)
where:
Base-Base interactions energy: -1356.657
where: short stacking energy: -532.486
Base-Backbone interact. energy: 0.608
local terms energy: -550.373920
where:
bonds (distance) C4'-P energy: -94.892
bonds (distance) P-C4' energy: -96.098
flat angles C4'-P-C4' energy: -125.802
flat angles P-C4'-P energy: -83.091
tors. eta vs tors. theta energy: -150.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1818.663623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.663623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.663623 (E_RNA)
where:
Base-Base interactions energy: -1249.449
where: short stacking energy: -538.848
Base-Backbone interact. energy: -1.515
local terms energy: -567.698916
where:
bonds (distance) C4'-P energy: -110.057
bonds (distance) P-C4' energy: -101.987
flat angles C4'-P-C4' energy: -121.098
flat angles P-C4'-P energy: -81.351
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1722.165417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.165417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.165417 (E_RNA)
where:
Base-Base interactions energy: -1193.390
where: short stacking energy: -497.030
Base-Backbone interact. energy: 4.539
local terms energy: -533.314122
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -108.631
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -62.808
tors. eta vs tors. theta energy: -143.992
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: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1492.617698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.617698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.617698 (E_RNA)
where:
Base-Base interactions energy: -991.208
where: short stacking energy: -393.664
Base-Backbone interact. energy: 2.440
local terms energy: -503.849879
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -107.878
flat angles C4'-P-C4' energy: -116.141
flat angles P-C4'-P energy: -74.396
tors. eta vs tors. theta energy: -108.285
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: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1353.252257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.252257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.252257 (E_RNA)
where:
Base-Base interactions energy: -878.982
where: short stacking energy: -387.301
Base-Backbone interact. energy: 1.164
local terms energy: -475.433951
where:
bonds (distance) C4'-P energy: -86.959
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -111.578
flat angles P-C4'-P energy: -64.910
tors. eta vs tors. theta energy: -106.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1166.169554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.169554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.169554 (E_RNA)
where:
Base-Base interactions energy: -742.074
where: short stacking energy: -331.400
Base-Backbone interact. energy: -1.192
local terms energy: -422.903597
where:
bonds (distance) C4'-P energy: -100.377
bonds (distance) P-C4' energy: -100.329
flat angles C4'-P-C4' energy: -105.024
flat angles P-C4'-P energy: -53.392
tors. eta vs tors. theta energy: -63.782
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -904.307841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.307841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.307841 (E_RNA)
where:
Base-Base interactions energy: -535.949
where: short stacking energy: -246.241
Base-Backbone interact. energy: 1.722
local terms energy: -370.080210
where:
bonds (distance) C4'-P energy: -98.986
bonds (distance) P-C4' energy: -107.328
flat angles C4'-P-C4' energy: -97.484
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -25.966
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: 132
Temperature: 1.350000
Total energy: -719.467400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.467400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.467400 (E_RNA)
where:
Base-Base interactions energy: -393.835
where: short stacking energy: -194.712
Base-Backbone interact. energy: 8.814
local terms energy: -334.446453
where:
bonds (distance) C4'-P energy: -93.432
bonds (distance) P-C4' energy: -87.112
flat angles C4'-P-C4' energy: -93.269
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2084.395383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.395383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.395383 (E_RNA)
where:
Base-Base interactions energy: -1452.920
where: short stacking energy: -582.395
Base-Backbone interact. energy: -2.884
local terms energy: -628.592006
where:
bonds (distance) C4'-P energy: -108.713
bonds (distance) P-C4' energy: -115.656
flat angles C4'-P-C4' energy: -134.615
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -181.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2007.858513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.858513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.858513 (E_RNA)
where:
Base-Base interactions energy: -1394.405
where: short stacking energy: -606.251
Base-Backbone interact. energy: -2.585
local terms energy: -610.868676
where:
bonds (distance) C4'-P energy: -115.029
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -119.323
flat angles P-C4'-P energy: -82.029
tors. eta vs tors. theta energy: -178.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1916.442054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.442054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.442054 (E_RNA)
where:
Base-Base interactions energy: -1326.047
where: short stacking energy: -531.562
Base-Backbone interact. energy: -1.641
local terms energy: -588.753680
where:
bonds (distance) C4'-P energy: -120.459
bonds (distance) P-C4' energy: -107.668
flat angles C4'-P-C4' energy: -128.012
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: -159.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1793.825938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.825938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.825938 (E_RNA)
where:
Base-Base interactions energy: -1239.653
where: short stacking energy: -531.714
Base-Backbone interact. energy: 7.497
local terms energy: -561.670412
where:
bonds (distance) C4'-P energy: -112.942
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -118.484
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -140.851
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: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1675.060309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.060309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.060309 (E_RNA)
where:
Base-Base interactions energy: -1156.416
where: short stacking energy: -478.470
Base-Backbone interact. energy: -1.763
local terms energy: -516.880861
where:
bonds (distance) C4'-P energy: -100.443
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -121.234
flat angles P-C4'-P energy: -68.955
tors. eta vs tors. theta energy: -120.203
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1490.313361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.313361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.313361 (E_RNA)
where:
Base-Base interactions energy: -1003.767
where: short stacking energy: -427.003
Base-Backbone interact. energy: 0.997
local terms energy: -487.543033
where:
bonds (distance) C4'-P energy: -99.264
bonds (distance) P-C4' energy: -94.885
flat angles C4'-P-C4' energy: -96.753
flat angles P-C4'-P energy: -82.697
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: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1355.271089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.271089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.271089 (E_RNA)
where:
Base-Base interactions energy: -901.928
where: short stacking energy: -397.001
Base-Backbone interact. energy: -0.372
local terms energy: -452.970654
where:
bonds (distance) C4'-P energy: -92.057
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -99.373
flat angles P-C4'-P energy: -79.196
tors. eta vs tors. theta energy: -91.330
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: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1130.522585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.522585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.522585 (E_RNA)
where:
Base-Base interactions energy: -725.453
where: short stacking energy: -336.598
Base-Backbone interact. energy: -2.088
local terms energy: -402.980847
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -110.104
flat angles C4'-P-C4' energy: -94.973
flat angles P-C4'-P energy: -61.805
tors. eta vs tors. theta energy: -54.609
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -958.422558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.422558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.422558 (E_RNA)
where:
Base-Base interactions energy: -591.810
where: short stacking energy: -277.573
Base-Backbone interact. energy: 0.333
local terms energy: -366.945189
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -100.738
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -850.063849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.063849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.063849 (E_RNA)
where:
Base-Base interactions energy: -480.497
where: short stacking energy: -238.854
Base-Backbone interact. energy: -0.980
local terms energy: -368.587542
where:
bonds (distance) C4'-P energy: -83.444
bonds (distance) P-C4' energy: -100.901
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -24.175
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: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2098.206086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.206086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.206086 (E_RNA)
where:
Base-Base interactions energy: -1466.489
where: short stacking energy: -572.140
Base-Backbone interact. energy: -4.710
local terms energy: -627.007892
where:
bonds (distance) C4'-P energy: -113.999
bonds (distance) P-C4' energy: -118.580
flat angles C4'-P-C4' energy: -130.911
flat angles P-C4'-P energy: -91.764
tors. eta vs tors. theta energy: -171.754
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2011.161111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.161111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.161111 (E_RNA)
where:
Base-Base interactions energy: -1387.661
where: short stacking energy: -546.903
Base-Backbone interact. energy: 0.537
local terms energy: -624.036562
where:
bonds (distance) C4'-P energy: -110.350
bonds (distance) P-C4' energy: -110.187
flat angles C4'-P-C4' energy: -141.011
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -165.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1904.474704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.474704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.474704 (E_RNA)
where:
Base-Base interactions energy: -1322.307
where: short stacking energy: -539.024
Base-Backbone interact. energy: -7.614
local terms energy: -574.553016
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -119.642
flat angles P-C4'-P energy: -84.017
tors. eta vs tors. theta energy: -166.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1788.113032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.113032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.113032 (E_RNA)
where:
Base-Base interactions energy: -1231.657
where: short stacking energy: -519.748
Base-Backbone interact. energy: 3.457
local terms energy: -559.912899
where:
bonds (distance) C4'-P energy: -114.103
bonds (distance) P-C4' energy: -109.688
flat angles C4'-P-C4' energy: -114.394
flat angles P-C4'-P energy: -87.288
tors. eta vs tors. theta energy: -134.440
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: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1702.946867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.946867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.946867 (E_RNA)
where:
Base-Base interactions energy: -1180.941
where: short stacking energy: -472.638
Base-Backbone interact. energy: -1.329
local terms energy: -520.676028
where:
bonds (distance) C4'-P energy: -107.552
bonds (distance) P-C4' energy: -99.028
flat angles C4'-P-C4' energy: -110.451
flat angles P-C4'-P energy: -74.021
tors. eta vs tors. theta energy: -129.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1525.648726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.648726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.648726 (E_RNA)
where:
Base-Base interactions energy: -1017.008
where: short stacking energy: -459.554
Base-Backbone interact. energy: 0.313
local terms energy: -508.953369
where:
bonds (distance) C4'-P energy: -85.842
bonds (distance) P-C4' energy: -102.218
flat angles C4'-P-C4' energy: -113.991
flat angles P-C4'-P energy: -81.673
tors. eta vs tors. theta energy: -125.229
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: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1318.842726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.842726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.842726 (E_RNA)
where:
Base-Base interactions energy: -846.200
where: short stacking energy: -400.484
Base-Backbone interact. energy: -2.713
local terms energy: -469.929660
where:
bonds (distance) C4'-P energy: -106.881
bonds (distance) P-C4' energy: -108.023
flat angles C4'-P-C4' energy: -106.036
flat angles P-C4'-P energy: -65.405
tors. eta vs tors. theta energy: -83.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1138.404235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.404235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.404235 (E_RNA)
where:
Base-Base interactions energy: -725.778
where: short stacking energy: -317.276
Base-Backbone interact. energy: 6.042
local terms energy: -418.668714
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -96.150
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -54.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -957.633009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.633009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.633009 (E_RNA)
where:
Base-Base interactions energy: -581.889
where: short stacking energy: -287.099
Base-Backbone interact. energy: 0.784
local terms energy: -376.527920
where:
bonds (distance) C4'-P energy: -92.460
bonds (distance) P-C4' energy: -102.070
flat angles C4'-P-C4' energy: -99.990
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -41.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -804.121924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.121924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.121924 (E_RNA)
where:
Base-Base interactions energy: -474.855
where: short stacking energy: -229.543
Base-Backbone interact. energy: -1.136
local terms energy: -328.130298
where:
bonds (distance) C4'-P energy: -90.882
bonds (distance) P-C4' energy: -96.027
flat angles C4'-P-C4' energy: -78.439
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2110.186583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.186583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.186583 (E_RNA)
where:
Base-Base interactions energy: -1480.080
where: short stacking energy: -589.209
Base-Backbone interact. energy: 2.152
local terms energy: -632.259048
where:
bonds (distance) C4'-P energy: -123.755
bonds (distance) P-C4' energy: -116.707
flat angles C4'-P-C4' energy: -135.758
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -173.685
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2010.399654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.399654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.399654 (E_RNA)
where:
Base-Base interactions energy: -1411.490
where: short stacking energy: -595.211
Base-Backbone interact. energy: -5.204
local terms energy: -593.705605
where:
bonds (distance) C4'-P energy: -122.194
bonds (distance) P-C4' energy: -114.224
flat angles C4'-P-C4' energy: -120.404
flat angles P-C4'-P energy: -69.501
tors. eta vs tors. theta energy: -167.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1917.715586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.715586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.715586 (E_RNA)
where:
Base-Base interactions energy: -1349.141
where: short stacking energy: -529.925
Base-Backbone interact. energy: -1.365
local terms energy: -567.208788
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -102.989
flat angles C4'-P-C4' energy: -124.287
flat angles P-C4'-P energy: -79.006
tors. eta vs tors. theta energy: -151.983
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: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1769.744902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.744902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.744902 (E_RNA)
where:
Base-Base interactions energy: -1198.039
where: short stacking energy: -505.076
Base-Backbone interact. energy: -2.223
local terms energy: -569.483343
where:
bonds (distance) C4'-P energy: -110.698
bonds (distance) P-C4' energy: -117.146
flat angles C4'-P-C4' energy: -119.163
flat angles P-C4'-P energy: -87.775
tors. eta vs tors. theta energy: -134.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1729.244871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.244871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.244871 (E_RNA)
where:
Base-Base interactions energy: -1201.950
where: short stacking energy: -469.623
Base-Backbone interact. energy: -1.137
local terms energy: -526.157678
where:
bonds (distance) C4'-P energy: -95.096
bonds (distance) P-C4' energy: -118.152
flat angles C4'-P-C4' energy: -112.030
flat angles P-C4'-P energy: -73.215
tors. eta vs tors. theta energy: -127.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1497.704886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.704886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.704886 (E_RNA)
where:
Base-Base interactions energy: -1025.318
where: short stacking energy: -440.227
Base-Backbone interact. energy: 2.745
local terms energy: -475.132075
where:
bonds (distance) C4'-P energy: -99.379
bonds (distance) P-C4' energy: -86.830
flat angles C4'-P-C4' energy: -111.291
flat angles P-C4'-P energy: -70.391
tors. eta vs tors. theta energy: -107.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1251.130775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.130775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.130775 (E_RNA)
where:
Base-Base interactions energy: -809.194
where: short stacking energy: -359.653
Base-Backbone interact. energy: 0.249
local terms energy: -442.185742
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -101.336
flat angles C4'-P-C4' energy: -98.765
flat angles P-C4'-P energy: -75.368
tors. eta vs tors. theta energy: -62.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1200.807973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.807973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.807973 (E_RNA)
where:
Base-Base interactions energy: -779.963
where: short stacking energy: -343.350
Base-Backbone interact. energy: 0.314
local terms energy: -421.158624
where:
bonds (distance) C4'-P energy: -84.640
bonds (distance) P-C4' energy: -106.178
flat angles C4'-P-C4' energy: -102.266
flat angles P-C4'-P energy: -56.361
tors. eta vs tors. theta energy: -71.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1062.451064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.451064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.451064 (E_RNA)
where:
Base-Base interactions energy: -663.986
where: short stacking energy: -330.827
Base-Backbone interact. energy: -0.747
local terms energy: -397.718050
where:
bonds (distance) C4'-P energy: -89.583
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -95.581
flat angles P-C4'-P energy: -53.509
tors. eta vs tors. theta energy: -69.386
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: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -790.668246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.668246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.668246 (E_RNA)
where:
Base-Base interactions energy: -439.988
where: short stacking energy: -219.043
Base-Backbone interact. energy: 0.462
local terms energy: -351.142461
where:
bonds (distance) C4'-P energy: -88.796
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -27.861
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2088.309936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.309936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.309936 (E_RNA)
where:
Base-Base interactions energy: -1479.507
where: short stacking energy: -600.256
Base-Backbone interact. energy: 0.373
local terms energy: -609.175949
where:
bonds (distance) C4'-P energy: -107.268
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -131.853
flat angles P-C4'-P energy: -94.327
tors. eta vs tors. theta energy: -169.667
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: 136
Temperature: 0.950000
Total energy: -1962.221179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.221179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.221179 (E_RNA)
where:
Base-Base interactions energy: -1377.969
where: short stacking energy: -565.147
Base-Backbone interact. energy: -1.874
local terms energy: -582.378771
where:
bonds (distance) C4'-P energy: -104.430
bonds (distance) P-C4' energy: -115.623
flat angles C4'-P-C4' energy: -129.314
flat angles P-C4'-P energy: -79.222
tors. eta vs tors. theta energy: -153.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1901.520832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.520832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.520832 (E_RNA)
where:
Base-Base interactions energy: -1342.006
where: short stacking energy: -531.607
Base-Backbone interact. energy: -2.676
local terms energy: -556.838681
where:
bonds (distance) C4'-P energy: -107.757
bonds (distance) P-C4' energy: -101.886
flat angles C4'-P-C4' energy: -134.420
flat angles P-C4'-P energy: -58.466
tors. eta vs tors. theta energy: -154.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1801.081030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.081030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.081030 (E_RNA)
where:
Base-Base interactions energy: -1225.730
where: short stacking energy: -509.230
Base-Backbone interact. energy: -4.214
local terms energy: -571.137232
where:
bonds (distance) C4'-P energy: -104.574
bonds (distance) P-C4' energy: -109.081
flat angles C4'-P-C4' energy: -126.035
flat angles P-C4'-P energy: -80.540
tors. eta vs tors. theta energy: -150.907
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: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1712.574638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.574638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.574638 (E_RNA)
where:
Base-Base interactions energy: -1185.770
where: short stacking energy: -491.799
Base-Backbone interact. energy: -2.934
local terms energy: -523.870306
where:
bonds (distance) C4'-P energy: -94.975
bonds (distance) P-C4' energy: -109.596
flat angles C4'-P-C4' energy: -117.579
flat angles P-C4'-P energy: -73.848
tors. eta vs tors. theta energy: -127.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1535.242881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.242881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.242881 (E_RNA)
where:
Base-Base interactions energy: -1037.796
where: short stacking energy: -449.148
Base-Backbone interact. energy: 3.814
local terms energy: -501.260672
where:
bonds (distance) C4'-P energy: -98.795
bonds (distance) P-C4' energy: -106.740
flat angles C4'-P-C4' energy: -105.173
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -125.197
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1288.644736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.644736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.644736 (E_RNA)
where:
Base-Base interactions energy: -850.462
where: short stacking energy: -380.559
Base-Backbone interact. energy: 4.927
local terms energy: -443.109724
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -107.584
flat angles C4'-P-C4' energy: -92.956
flat angles P-C4'-P energy: -60.477
tors. eta vs tors. theta energy: -77.320
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: 136
Temperature: 1.250000
Total energy: -1135.657875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.657875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.657875 (E_RNA)
where:
Base-Base interactions energy: -699.654
where: short stacking energy: -304.339
Base-Backbone interact. energy: -0.644
local terms energy: -435.359773
where:
bonds (distance) C4'-P energy: -99.065
bonds (distance) P-C4' energy: -110.731
flat angles C4'-P-C4' energy: -95.770
flat angles P-C4'-P energy: -65.447
tors. eta vs tors. theta energy: -64.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1013.666833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.666833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.666833 (E_RNA)
where:
Base-Base interactions energy: -627.178
where: short stacking energy: -291.782
Base-Backbone interact. energy: 8.774
local terms energy: -395.262989
where:
bonds (distance) C4'-P energy: -106.509
bonds (distance) P-C4' energy: -108.472
flat angles C4'-P-C4' energy: -99.266
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -823.729401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.729401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.729401 (E_RNA)
where:
Base-Base interactions energy: -501.343
where: short stacking energy: -217.775
Base-Backbone interact. energy: -4.050
local terms energy: -318.336000
where:
bonds (distance) C4'-P energy: -92.226
bonds (distance) P-C4' energy: -91.465
flat angles C4'-P-C4' energy: -77.085
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2089.200820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.200820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.200820 (E_RNA)
where:
Base-Base interactions energy: -1475.980
where: short stacking energy: -594.648
Base-Backbone interact. energy: -2.023
local terms energy: -611.197558
where:
bonds (distance) C4'-P energy: -107.525
bonds (distance) P-C4' energy: -113.813
flat angles C4'-P-C4' energy: -134.804
flat angles P-C4'-P energy: -83.783
tors. eta vs tors. theta energy: -171.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1972.358381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.358381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.358381 (E_RNA)
where:
Base-Base interactions energy: -1374.179
where: short stacking energy: -563.789
Base-Backbone interact. energy: -3.499
local terms energy: -594.680327
where:
bonds (distance) C4'-P energy: -118.471
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -122.792
flat angles P-C4'-P energy: -72.142
tors. eta vs tors. theta energy: -160.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1912.237099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.237099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.237099 (E_RNA)
where:
Base-Base interactions energy: -1316.628
where: short stacking energy: -531.257
Base-Backbone interact. energy: -3.872
local terms energy: -591.736862
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -126.439
flat angles C4'-P-C4' energy: -124.571
flat angles P-C4'-P energy: -97.450
tors. eta vs tors. theta energy: -143.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1817.320720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.320720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.320720 (E_RNA)
where:
Base-Base interactions energy: -1288.835
where: short stacking energy: -521.989
Base-Backbone interact. energy: 3.046
local terms energy: -531.532167
where:
bonds (distance) C4'-P energy: -84.023
bonds (distance) P-C4' energy: -105.469
flat angles C4'-P-C4' energy: -112.032
flat angles P-C4'-P energy: -83.776
tors. eta vs tors. theta energy: -146.232
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1719.597906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.597906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.597906 (E_RNA)
where:
Base-Base interactions energy: -1186.032
where: short stacking energy: -482.698
Base-Backbone interact. energy: -1.817
local terms energy: -531.748966
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -109.237
flat angles C4'-P-C4' energy: -108.777
flat angles P-C4'-P energy: -87.228
tors. eta vs tors. theta energy: -124.707
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: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1498.161197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.161197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.161197 (E_RNA)
where:
Base-Base interactions energy: -981.286
where: short stacking energy: -401.466
Base-Backbone interact. energy: 0.483
local terms energy: -517.357722
where:
bonds (distance) C4'-P energy: -110.734
bonds (distance) P-C4' energy: -123.619
flat angles C4'-P-C4' energy: -108.803
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -102.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1265.138475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.138475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.138475 (E_RNA)
where:
Base-Base interactions energy: -808.319
where: short stacking energy: -369.730
Base-Backbone interact. energy: 0.388
local terms energy: -457.207682
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -106.011
flat angles C4'-P-C4' energy: -94.364
flat angles P-C4'-P energy: -73.529
tors. eta vs tors. theta energy: -83.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1224.292568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.292568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.292568 (E_RNA)
where:
Base-Base interactions energy: -770.169
where: short stacking energy: -346.596
Base-Backbone interact. energy: -1.215
local terms energy: -452.909494
where:
bonds (distance) C4'-P energy: -78.619
bonds (distance) P-C4' energy: -109.703
flat angles C4'-P-C4' energy: -99.689
flat angles P-C4'-P energy: -82.483
tors. eta vs tors. theta energy: -82.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1027.246388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.246388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.246388 (E_RNA)
where:
Base-Base interactions energy: -656.414
where: short stacking energy: -302.997
Base-Backbone interact. energy: 0.445
local terms energy: -371.277210
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -81.047
flat angles C4'-P-C4' energy: -93.781
flat angles P-C4'-P energy: -60.803
tors. eta vs tors. theta energy: -55.583
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: 137
Temperature: 1.350000
Total energy: -838.369408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.369408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.369408 (E_RNA)
where:
Base-Base interactions energy: -506.223
where: short stacking energy: -221.324
Base-Backbone interact. energy: -3.792
local terms energy: -328.354263
where:
bonds (distance) C4'-P energy: -102.303
bonds (distance) P-C4' energy: -87.015
flat angles C4'-P-C4' energy: -80.626
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2092.208455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.208455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.208455 (E_RNA)
where:
Base-Base interactions energy: -1496.428
where: short stacking energy: -603.389
Base-Backbone interact. energy: 2.903
local terms energy: -598.682841
where:
bonds (distance) C4'-P energy: -111.191
bonds (distance) P-C4' energy: -101.932
flat angles C4'-P-C4' energy: -126.072
flat angles P-C4'-P energy: -86.924
tors. eta vs tors. theta energy: -172.564
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: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1972.137073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.137073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.137073 (E_RNA)
where:
Base-Base interactions energy: -1352.404
where: short stacking energy: -559.286
Base-Backbone interact. energy: -2.313
local terms energy: -617.420078
where:
bonds (distance) C4'-P energy: -111.305
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -132.023
flat angles P-C4'-P energy: -84.050
tors. eta vs tors. theta energy: -175.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1918.393935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.393935 (E_RNA)
where:
Base-Base interactions energy: -1333.883
where: short stacking energy: -534.664
Base-Backbone interact. energy: -3.122
local terms energy: -581.389207
where:
bonds (distance) C4'-P energy: -106.077
bonds (distance) P-C4' energy: -97.439
flat angles C4'-P-C4' energy: -124.956
flat angles P-C4'-P energy: -93.497
tors. eta vs tors. theta energy: -159.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1827.266439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.266439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.266439 (E_RNA)
where:
Base-Base interactions energy: -1267.505
where: short stacking energy: -523.605
Base-Backbone interact. energy: -1.326
local terms energy: -558.435507
where:
bonds (distance) C4'-P energy: -96.637
bonds (distance) P-C4' energy: -117.984
flat angles C4'-P-C4' energy: -120.834
flat angles P-C4'-P energy: -75.347
tors. eta vs tors. theta energy: -147.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1719.828011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.828011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.828011 (E_RNA)
where:
Base-Base interactions energy: -1188.031
where: short stacking energy: -476.803
Base-Backbone interact. energy: -1.403
local terms energy: -530.394261
where:
bonds (distance) C4'-P energy: -100.101
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -126.257
flat angles P-C4'-P energy: -77.849
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1475.880844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.880844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.880844 (E_RNA)
where:
Base-Base interactions energy: -988.808
where: short stacking energy: -421.051
Base-Backbone interact. energy: -0.425
local terms energy: -486.647697
where:
bonds (distance) C4'-P energy: -106.381
bonds (distance) P-C4' energy: -106.597
flat angles C4'-P-C4' energy: -110.384
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -103.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1270.262639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.262639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.262639 (E_RNA)
where:
Base-Base interactions energy: -833.379
where: short stacking energy: -366.055
Base-Backbone interact. energy: -1.432
local terms energy: -435.452328
where:
bonds (distance) C4'-P energy: -94.829
bonds (distance) P-C4' energy: -104.211
flat angles C4'-P-C4' energy: -96.044
flat angles P-C4'-P energy: -67.071
tors. eta vs tors. theta energy: -73.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1196.546084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.546084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.546084 (E_RNA)
where:
Base-Base interactions energy: -763.968
where: short stacking energy: -323.983
Base-Backbone interact. energy: -3.231
local terms energy: -429.347193
where:
bonds (distance) C4'-P energy: -83.882
bonds (distance) P-C4' energy: -100.941
flat angles C4'-P-C4' energy: -105.688
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -70.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1007.168122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.168122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.168122 (E_RNA)
where:
Base-Base interactions energy: -633.726
where: short stacking energy: -294.140
Base-Backbone interact. energy: -1.212
local terms energy: -372.229430
where:
bonds (distance) C4'-P energy: -107.012
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -26.751
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: 138
Temperature: 1.350000
Total energy: -789.341580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.341580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.341580 (E_RNA)
where:
Base-Base interactions energy: -469.537
where: short stacking energy: -229.242
Base-Backbone interact. energy: 0.836
local terms energy: -320.640776
where:
bonds (distance) C4'-P energy: -95.629
bonds (distance) P-C4' energy: -96.805
flat angles C4'-P-C4' energy: -68.293
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -18.810
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2113.492892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.492892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.492892 (E_RNA)
where:
Base-Base interactions energy: -1493.315
where: short stacking energy: -585.641
Base-Backbone interact. energy: -7.580
local terms energy: -612.597959
where:
bonds (distance) C4'-P energy: -112.812
bonds (distance) P-C4' energy: -112.140
flat angles C4'-P-C4' energy: -123.553
flat angles P-C4'-P energy: -89.462
tors. eta vs tors. theta energy: -174.631
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1961.996951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.996951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.996951 (E_RNA)
where:
Base-Base interactions energy: -1357.419
where: short stacking energy: -557.020
Base-Backbone interact. energy: -0.880
local terms energy: -603.697367
where:
bonds (distance) C4'-P energy: -109.491
bonds (distance) P-C4' energy: -112.392
flat angles C4'-P-C4' energy: -133.520
flat angles P-C4'-P energy: -85.344
tors. eta vs tors. theta energy: -162.950
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1925.779231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.779231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.779231 (E_RNA)
where:
Base-Base interactions energy: -1316.277
where: short stacking energy: -542.619
Base-Backbone interact. energy: -0.071
local terms energy: -609.430907
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -112.146
flat angles C4'-P-C4' energy: -135.069
flat angles P-C4'-P energy: -92.736
tors. eta vs tors. theta energy: -157.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1796.944667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.944667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.944667 (E_RNA)
where:
Base-Base interactions energy: -1271.476
where: short stacking energy: -511.635
Base-Backbone interact. energy: -1.111
local terms energy: -524.358250
where:
bonds (distance) C4'-P energy: -90.669
bonds (distance) P-C4' energy: -110.334
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -68.193
tors. eta vs tors. theta energy: -139.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1673.898723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.898723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.898723 (E_RNA)
where:
Base-Base interactions energy: -1148.676
where: short stacking energy: -481.557
Base-Backbone interact. energy: -3.734
local terms energy: -521.488096
where:
bonds (distance) C4'-P energy: -107.848
bonds (distance) P-C4' energy: -96.748
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -70.766
tors. eta vs tors. theta energy: -125.819
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: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1457.874418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.874418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.874418 (E_RNA)
where:
Base-Base interactions energy: -995.484
where: short stacking energy: -426.157
Base-Backbone interact. energy: 2.343
local terms energy: -464.733026
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -106.994
flat angles C4'-P-C4' energy: -113.498
flat angles P-C4'-P energy: -71.337
tors. eta vs tors. theta energy: -99.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1221.808722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.808722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.808722 (E_RNA)
where:
Base-Base interactions energy: -805.358
where: short stacking energy: -366.358
Base-Backbone interact. energy: 0.730
local terms energy: -417.179973
where:
bonds (distance) C4'-P energy: -83.992
bonds (distance) P-C4' energy: -101.367
flat angles C4'-P-C4' energy: -105.070
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: -71.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1178.681705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.681705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.681705 (E_RNA)
where:
Base-Base interactions energy: -748.232
where: short stacking energy: -340.090
Base-Backbone interact. energy: -0.853
local terms energy: -429.596271
where:
bonds (distance) C4'-P energy: -115.811
bonds (distance) P-C4' energy: -99.237
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -59.214
tors. eta vs tors. theta energy: -76.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1008.784923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.784923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.784923 (E_RNA)
where:
Base-Base interactions energy: -629.141
where: short stacking energy: -297.890
Base-Backbone interact. energy: 11.779
local terms energy: -391.422955
where:
bonds (distance) C4'-P energy: -113.527
bonds (distance) P-C4' energy: -100.391
flat angles C4'-P-C4' energy: -82.851
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -41.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -800.006067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.006067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.006067 (E_RNA)
where:
Base-Base interactions energy: -453.073
where: short stacking energy: -226.829
Base-Backbone interact. energy: 8.787
local terms energy: -355.719559
where:
bonds (distance) C4'-P energy: -82.336
bonds (distance) P-C4' energy: -107.005
flat angles C4'-P-C4' energy: -96.948
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2095.578625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.578625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.578625 (E_RNA)
where:
Base-Base interactions energy: -1457.394
where: short stacking energy: -572.375
Base-Backbone interact. energy: -1.760
local terms energy: -636.425051
where:
bonds (distance) C4'-P energy: -116.743
bonds (distance) P-C4' energy: -123.279
flat angles C4'-P-C4' energy: -131.860
flat angles P-C4'-P energy: -93.402
tors. eta vs tors. theta energy: -171.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1951.860453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.860453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.860453 (E_RNA)
where:
Base-Base interactions energy: -1339.392
where: short stacking energy: -543.011
Base-Backbone interact. energy: -3.196
local terms energy: -609.272144
where:
bonds (distance) C4'-P energy: -116.522
bonds (distance) P-C4' energy: -112.506
flat angles C4'-P-C4' energy: -125.428
flat angles P-C4'-P energy: -96.549
tors. eta vs tors. theta energy: -158.268
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1909.476253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.476253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.476253 (E_RNA)
where:
Base-Base interactions energy: -1357.768
where: short stacking energy: -562.899
Base-Backbone interact. energy: -4.577
local terms energy: -547.130579
where:
bonds (distance) C4'-P energy: -104.099
bonds (distance) P-C4' energy: -88.715
flat angles C4'-P-C4' energy: -119.306
flat angles P-C4'-P energy: -78.784
tors. eta vs tors. theta energy: -156.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1816.603748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.603748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.603748 (E_RNA)
where:
Base-Base interactions energy: -1262.676
where: short stacking energy: -506.507
Base-Backbone interact. energy: -0.979
local terms energy: -552.948208
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -115.341
flat angles C4'-P-C4' energy: -113.380
flat angles P-C4'-P energy: -82.862
tors. eta vs tors. theta energy: -138.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1692.944153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.944153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.944153 (E_RNA)
where:
Base-Base interactions energy: -1153.086
where: short stacking energy: -507.197
Base-Backbone interact. energy: -0.932
local terms energy: -538.926402
where:
bonds (distance) C4'-P energy: -99.255
bonds (distance) P-C4' energy: -105.993
flat angles C4'-P-C4' energy: -115.323
flat angles P-C4'-P energy: -82.221
tors. eta vs tors. theta energy: -136.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1504.301588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.301588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.301588 (E_RNA)
where:
Base-Base interactions energy: -995.265
where: short stacking energy: -431.163
Base-Backbone interact. energy: 3.892
local terms energy: -512.927824
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -105.173
flat angles C4'-P-C4' energy: -119.165
flat angles P-C4'-P energy: -78.014
tors. eta vs tors. theta energy: -100.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1213.394298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.394298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.394298 (E_RNA)
where:
Base-Base interactions energy: -754.810
where: short stacking energy: -347.102
Base-Backbone interact. energy: -2.618
local terms energy: -455.966345
where:
bonds (distance) C4'-P energy: -103.672
bonds (distance) P-C4' energy: -117.012
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -71.191
tors. eta vs tors. theta energy: -69.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1184.775779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.775779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.775779 (E_RNA)
where:
Base-Base interactions energy: -790.610
where: short stacking energy: -325.178
Base-Backbone interact. energy: -4.301
local terms energy: -389.864898
where:
bonds (distance) C4'-P energy: -89.412
bonds (distance) P-C4' energy: -94.546
flat angles C4'-P-C4' energy: -91.975
flat angles P-C4'-P energy: -50.847
tors. eta vs tors. theta energy: -63.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1001.307647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.307647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.307647 (E_RNA)
where:
Base-Base interactions energy: -605.027
where: short stacking energy: -277.668
Base-Backbone interact. energy: -3.451
local terms energy: -392.829377
where:
bonds (distance) C4'-P energy: -100.045
bonds (distance) P-C4' energy: -90.012
flat angles C4'-P-C4' energy: -96.618
flat angles P-C4'-P energy: -67.507
tors. eta vs tors. theta energy: -38.649
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: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -790.483425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.483425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.483425 (E_RNA)
where:
Base-Base interactions energy: -462.359
where: short stacking energy: -210.394
Base-Backbone interact. energy: 0.907
local terms energy: -329.030660
where:
bonds (distance) C4'-P energy: -90.774
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -82.512
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -15.802
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: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2141.412704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.412704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.412704 (E_RNA)
where:
Base-Base interactions energy: -1495.828
where: short stacking energy: -595.607
Base-Backbone interact. energy: -0.216
local terms energy: -645.368318
where:
bonds (distance) C4'-P energy: -118.304
bonds (distance) P-C4' energy: -116.498
flat angles C4'-P-C4' energy: -135.405
flat angles P-C4'-P energy: -94.682
tors. eta vs tors. theta energy: -180.480
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1944.548242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.548242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.548242 (E_RNA)
where:
Base-Base interactions energy: -1337.191
where: short stacking energy: -559.947
Base-Backbone interact. energy: 1.556
local terms energy: -608.913759
where:
bonds (distance) C4'-P energy: -105.501
bonds (distance) P-C4' energy: -128.737
flat angles C4'-P-C4' energy: -122.357
flat angles P-C4'-P energy: -92.977
tors. eta vs tors. theta energy: -159.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1882.049631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.049631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.049631 (E_RNA)
where:
Base-Base interactions energy: -1305.888
where: short stacking energy: -556.765
Base-Backbone interact. energy: -0.768
local terms energy: -575.393930
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -126.515
flat angles C4'-P-C4' energy: -125.683
flat angles P-C4'-P energy: -81.312
tors. eta vs tors. theta energy: -153.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1788.200223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.200223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.200223 (E_RNA)
where:
Base-Base interactions energy: -1219.234
where: short stacking energy: -505.915
Base-Backbone interact. energy: -3.533
local terms energy: -565.432932
where:
bonds (distance) C4'-P energy: -98.650
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -135.294
flat angles P-C4'-P energy: -78.985
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: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1671.078508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.078508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.078508 (E_RNA)
where:
Base-Base interactions energy: -1151.181
where: short stacking energy: -490.174
Base-Backbone interact. energy: -0.858
local terms energy: -519.039499
where:
bonds (distance) C4'-P energy: -95.102
bonds (distance) P-C4' energy: -101.450
flat angles C4'-P-C4' energy: -106.665
flat angles P-C4'-P energy: -67.605
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1509.614498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.614498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.614498 (E_RNA)
where:
Base-Base interactions energy: -1023.249
where: short stacking energy: -408.532
Base-Backbone interact. energy: -2.302
local terms energy: -484.064000
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -109.454
flat angles C4'-P-C4' energy: -108.209
flat angles P-C4'-P energy: -68.896
tors. eta vs tors. theta energy: -94.300
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: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1274.791662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.791662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.791662 (E_RNA)
where:
Base-Base interactions energy: -807.946
where: short stacking energy: -356.942
Base-Backbone interact. energy: -1.998
local terms energy: -464.847382
where:
bonds (distance) C4'-P energy: -99.161
bonds (distance) P-C4' energy: -95.718
flat angles C4'-P-C4' energy: -105.490
flat angles P-C4'-P energy: -83.140
tors. eta vs tors. theta energy: -81.338
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: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1210.826167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.826167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.826167 (E_RNA)
where:
Base-Base interactions energy: -801.333
where: short stacking energy: -360.993
Base-Backbone interact. energy: -2.974
local terms energy: -406.519241
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -100.518
flat angles C4'-P-C4' energy: -98.115
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1032.022291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.022291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.022291 (E_RNA)
where:
Base-Base interactions energy: -616.465
where: short stacking energy: -293.143
Base-Backbone interact. energy: 4.553
local terms energy: -420.110451
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -86.907
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -805.369077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.369077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.369077 (E_RNA)
where:
Base-Base interactions energy: -462.597
where: short stacking energy: -233.856
Base-Backbone interact. energy: -2.671
local terms energy: -340.100980
where:
bonds (distance) C4'-P energy: -84.840
bonds (distance) P-C4' energy: -76.632
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2119.727261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.727261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.727261 (E_RNA)
where:
Base-Base interactions energy: -1507.559
where: short stacking energy: -596.676
Base-Backbone interact. energy: -3.633
local terms energy: -608.535994
where:
bonds (distance) C4'-P energy: -94.873
bonds (distance) P-C4' energy: -114.303
flat angles C4'-P-C4' energy: -137.011
flat angles P-C4'-P energy: -94.980
tors. eta vs tors. theta energy: -167.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1934.731531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.731531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.731531 (E_RNA)
where:
Base-Base interactions energy: -1332.780
where: short stacking energy: -536.775
Base-Backbone interact. energy: -0.159
local terms energy: -601.793101
where:
bonds (distance) C4'-P energy: -121.118
bonds (distance) P-C4' energy: -118.848
flat angles C4'-P-C4' energy: -114.150
flat angles P-C4'-P energy: -91.897
tors. eta vs tors. theta energy: -155.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1914.407701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.407701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.407701 (E_RNA)
where:
Base-Base interactions energy: -1330.275
where: short stacking energy: -530.272
Base-Backbone interact. energy: -4.110
local terms energy: -580.023050
where:
bonds (distance) C4'-P energy: -107.969
bonds (distance) P-C4' energy: -122.857
flat angles C4'-P-C4' energy: -119.778
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -153.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1789.223574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.223574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.223574 (E_RNA)
where:
Base-Base interactions energy: -1265.646
where: short stacking energy: -514.689
Base-Backbone interact. energy: -0.793
local terms energy: -522.784826
where:
bonds (distance) C4'-P energy: -114.135
bonds (distance) P-C4' energy: -93.462
flat angles C4'-P-C4' energy: -118.492
flat angles P-C4'-P energy: -67.954
tors. eta vs tors. theta energy: -128.742
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: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1663.204233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.204233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.204233 (E_RNA)
where:
Base-Base interactions energy: -1125.523
where: short stacking energy: -477.633
Base-Backbone interact. energy: -1.710
local terms energy: -535.970975
where:
bonds (distance) C4'-P energy: -94.354
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -111.170
flat angles P-C4'-P energy: -75.356
tors. eta vs tors. theta energy: -137.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1468.475146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.475146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.475146 (E_RNA)
where:
Base-Base interactions energy: -964.178
where: short stacking energy: -448.387
Base-Backbone interact. energy: -2.869
local terms energy: -501.428433
where:
bonds (distance) C4'-P energy: -96.571
bonds (distance) P-C4' energy: -99.620
flat angles C4'-P-C4' energy: -122.439
flat angles P-C4'-P energy: -79.862
tors. eta vs tors. theta energy: -102.935
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1236.052194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.052194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.052194 (E_RNA)
where:
Base-Base interactions energy: -815.874
where: short stacking energy: -370.451
Base-Backbone interact. energy: -0.949
local terms energy: -419.229594
where:
bonds (distance) C4'-P energy: -106.732
bonds (distance) P-C4' energy: -77.106
flat angles C4'-P-C4' energy: -90.581
flat angles P-C4'-P energy: -73.272
tors. eta vs tors. theta energy: -71.539
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1061.992496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.992496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.992496 (E_RNA)
where:
Base-Base interactions energy: -651.035
where: short stacking energy: -299.367
Base-Backbone interact. energy: -1.168
local terms energy: -409.790179
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -106.488
flat angles C4'-P-C4' energy: -105.497
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -961.098473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.098473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.098473 (E_RNA)
where:
Base-Base interactions energy: -572.704
where: short stacking energy: -262.583
Base-Backbone interact. energy: 0.274
local terms energy: -388.668250
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -101.399
flat angles C4'-P-C4' energy: -95.237
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -47.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -772.414321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.414321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.414321 (E_RNA)
where:
Base-Base interactions energy: -440.096
where: short stacking energy: -222.295
Base-Backbone interact. energy: 1.072
local terms energy: -333.389999
where:
bonds (distance) C4'-P energy: -98.484
bonds (distance) P-C4' energy: -97.575
flat angles C4'-P-C4' energy: -74.673
flat angles P-C4'-P energy: -48.592
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2095.119946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.119946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.119946 (E_RNA)
where:
Base-Base interactions energy: -1486.233
where: short stacking energy: -568.916
Base-Backbone interact. energy: -2.294
local terms energy: -606.592878
where:
bonds (distance) C4'-P energy: -118.616
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -123.841
flat angles P-C4'-P energy: -89.993
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: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1972.612821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.612821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.612821 (E_RNA)
where:
Base-Base interactions energy: -1380.906
where: short stacking energy: -588.486
Base-Backbone interact. energy: 1.396
local terms energy: -593.103244
where:
bonds (distance) C4'-P energy: -105.526
bonds (distance) P-C4' energy: -103.110
flat angles C4'-P-C4' energy: -130.571
flat angles P-C4'-P energy: -81.966
tors. eta vs tors. theta energy: -171.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1957.992094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.992094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.992094 (E_RNA)
where:
Base-Base interactions energy: -1357.566
where: short stacking energy: -545.846
Base-Backbone interact. energy: -2.852
local terms energy: -597.574599
where:
bonds (distance) C4'-P energy: -114.260
bonds (distance) P-C4' energy: -111.563
flat angles C4'-P-C4' energy: -123.435
flat angles P-C4'-P energy: -80.546
tors. eta vs tors. theta energy: -167.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1798.962688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.962688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.962688 (E_RNA)
where:
Base-Base interactions energy: -1247.394
where: short stacking energy: -519.004
Base-Backbone interact. energy: -2.054
local terms energy: -549.514834
where:
bonds (distance) C4'-P energy: -110.300
bonds (distance) P-C4' energy: -99.835
flat angles C4'-P-C4' energy: -111.188
flat angles P-C4'-P energy: -81.987
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: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1594.539801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.539801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.539801 (E_RNA)
where:
Base-Base interactions energy: -1071.922
where: short stacking energy: -489.602
Base-Backbone interact. energy: -1.085
local terms energy: -521.532559
where:
bonds (distance) C4'-P energy: -102.171
bonds (distance) P-C4' energy: -101.829
flat angles C4'-P-C4' energy: -118.035
flat angles P-C4'-P energy: -72.063
tors. eta vs tors. theta energy: -127.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1315.680509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.680509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.680509 (E_RNA)
where:
Base-Base interactions energy: -831.773
where: short stacking energy: -355.447
Base-Backbone interact. energy: -1.617
local terms energy: -482.290790
where:
bonds (distance) C4'-P energy: -108.782
bonds (distance) P-C4' energy: -106.024
flat angles C4'-P-C4' energy: -110.509
flat angles P-C4'-P energy: -71.661
tors. eta vs tors. theta energy: -85.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1433.861458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.861458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.861458 (E_RNA)
where:
Base-Base interactions energy: -967.990
where: short stacking energy: -426.507
Base-Backbone interact. energy: 4.870
local terms energy: -470.741067
where:
bonds (distance) C4'-P energy: -100.266
bonds (distance) P-C4' energy: -98.249
flat angles C4'-P-C4' energy: -101.795
flat angles P-C4'-P energy: -66.930
tors. eta vs tors. theta energy: -103.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1108.970481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.970481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.970481 (E_RNA)
where:
Base-Base interactions energy: -694.413
where: short stacking energy: -315.569
Base-Backbone interact. energy: -0.424
local terms energy: -414.133074
where:
bonds (distance) C4'-P energy: -91.381
bonds (distance) P-C4' energy: -100.671
flat angles C4'-P-C4' energy: -99.385
flat angles P-C4'-P energy: -62.955
tors. eta vs tors. theta energy: -59.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -943.437685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.437685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.437685 (E_RNA)
where:
Base-Base interactions energy: -593.672
where: short stacking energy: -299.825
Base-Backbone interact. energy: 1.182
local terms energy: -350.947145
where:
bonds (distance) C4'-P energy: -77.667
bonds (distance) P-C4' energy: -99.688
flat angles C4'-P-C4' energy: -93.227
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -33.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -754.560280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.560280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.560280 (E_RNA)
where:
Base-Base interactions energy: -421.083
where: short stacking energy: -188.674
Base-Backbone interact. energy: -4.953
local terms energy: -328.524644
where:
bonds (distance) C4'-P energy: -82.014
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -90.478
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2125.777706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.777706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.777706 (E_RNA)
where:
Base-Base interactions energy: -1520.600
where: short stacking energy: -603.698
Base-Backbone interact. energy: -1.874
local terms energy: -603.304342
where:
bonds (distance) C4'-P energy: -115.707
bonds (distance) P-C4' energy: -108.097
flat angles C4'-P-C4' energy: -126.945
flat angles P-C4'-P energy: -81.885
tors. eta vs tors. theta energy: -170.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1934.636936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.636936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.636936 (E_RNA)
where:
Base-Base interactions energy: -1345.219
where: short stacking energy: -558.449
Base-Backbone interact. energy: -2.753
local terms energy: -586.664708
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -115.436
flat angles C4'-P-C4' energy: -131.473
flat angles P-C4'-P energy: -76.362
tors. eta vs tors. theta energy: -152.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1950.288370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.288370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.288370 (E_RNA)
where:
Base-Base interactions energy: -1364.970
where: short stacking energy: -561.282
Base-Backbone interact. energy: -1.138
local terms energy: -584.180540
where:
bonds (distance) C4'-P energy: -92.183
bonds (distance) P-C4' energy: -117.400
flat angles C4'-P-C4' energy: -139.445
flat angles P-C4'-P energy: -71.933
tors. eta vs tors. theta energy: -163.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1805.959524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.959524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.959524 (E_RNA)
where:
Base-Base interactions energy: -1237.626
where: short stacking energy: -508.259
Base-Backbone interact. energy: -6.080
local terms energy: -562.254034
where:
bonds (distance) C4'-P energy: -121.736
bonds (distance) P-C4' energy: -82.262
flat angles C4'-P-C4' energy: -126.728
flat angles P-C4'-P energy: -86.457
tors. eta vs tors. theta energy: -145.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1595.620205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.620205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.620205 (E_RNA)
where:
Base-Base interactions energy: -1089.350
where: short stacking energy: -472.320
Base-Backbone interact. energy: -5.239
local terms energy: -501.031015
where:
bonds (distance) C4'-P energy: -104.914
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -113.182
flat angles P-C4'-P energy: -70.767
tors. eta vs tors. theta energy: -126.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1342.322095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.322095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.322095 (E_RNA)
where:
Base-Base interactions energy: -880.417
where: short stacking energy: -394.756
Base-Backbone interact. energy: -3.181
local terms energy: -458.724505
where:
bonds (distance) C4'-P energy: -95.335
bonds (distance) P-C4' energy: -97.371
flat angles C4'-P-C4' energy: -98.573
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -93.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1443.138820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.138820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.138820 (E_RNA)
where:
Base-Base interactions energy: -984.240
where: short stacking energy: -432.894
Base-Backbone interact. energy: 1.017
local terms energy: -459.915583
where:
bonds (distance) C4'-P energy: -84.869
bonds (distance) P-C4' energy: -94.061
flat angles C4'-P-C4' energy: -100.776
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -111.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1113.363046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.363046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.363046 (E_RNA)
where:
Base-Base interactions energy: -711.235
where: short stacking energy: -316.680
Base-Backbone interact. energy: -2.615
local terms energy: -399.513300
where:
bonds (distance) C4'-P energy: -95.515
bonds (distance) P-C4' energy: -102.036
flat angles C4'-P-C4' energy: -102.340
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -48.020
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -939.225882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.225882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.225882 (E_RNA)
where:
Base-Base interactions energy: -584.692
where: short stacking energy: -262.720
Base-Backbone interact. energy: -1.546
local terms energy: -352.988133
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -91.187
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -30.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -807.430290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.430290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.430290 (E_RNA)
where:
Base-Base interactions energy: -466.957
where: short stacking energy: -234.733
Base-Backbone interact. energy: -0.084
local terms energy: -340.389769
where:
bonds (distance) C4'-P energy: -96.625
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -66.649
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -36.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2121.176343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.176343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.176343 (E_RNA)
where:
Base-Base interactions energy: -1486.084
where: short stacking energy: -591.120
Base-Backbone interact. energy: -2.875
local terms energy: -632.217117
where:
bonds (distance) C4'-P energy: -118.492
bonds (distance) P-C4' energy: -130.157
flat angles C4'-P-C4' energy: -120.832
flat angles P-C4'-P energy: -91.656
tors. eta vs tors. theta energy: -171.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1985.325143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.325143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.325143 (E_RNA)
where:
Base-Base interactions energy: -1386.880
where: short stacking energy: -560.586
Base-Backbone interact. energy: -3.242
local terms energy: -595.204047
where:
bonds (distance) C4'-P energy: -108.018
bonds (distance) P-C4' energy: -116.418
flat angles C4'-P-C4' energy: -126.028
flat angles P-C4'-P energy: -84.326
tors. eta vs tors. theta energy: -160.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1899.777661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.777661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.777661 (E_RNA)
where:
Base-Base interactions energy: -1309.068
where: short stacking energy: -537.953
Base-Backbone interact. energy: -1.765
local terms energy: -588.944915
where:
bonds (distance) C4'-P energy: -109.671
bonds (distance) P-C4' energy: -111.215
flat angles C4'-P-C4' energy: -126.450
flat angles P-C4'-P energy: -77.046
tors. eta vs tors. theta energy: -164.564
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: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1761.957714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.957714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.957714 (E_RNA)
where:
Base-Base interactions energy: -1215.780
where: short stacking energy: -470.703
Base-Backbone interact. energy: 0.039
local terms energy: -546.216855
where:
bonds (distance) C4'-P energy: -110.529
bonds (distance) P-C4' energy: -114.530
flat angles C4'-P-C4' energy: -113.750
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -135.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1583.938625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.938625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.938625 (E_RNA)
where:
Base-Base interactions energy: -1065.403
where: short stacking energy: -430.964
Base-Backbone interact. energy: 0.799
local terms energy: -519.334925
where:
bonds (distance) C4'-P energy: -119.074
bonds (distance) P-C4' energy: -118.803
flat angles C4'-P-C4' energy: -105.933
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -119.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1522.063569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.063569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.063569 (E_RNA)
where:
Base-Base interactions energy: -1038.406
where: short stacking energy: -444.613
Base-Backbone interact. energy: -0.002
local terms energy: -483.654728
where:
bonds (distance) C4'-P energy: -106.638
bonds (distance) P-C4' energy: -103.556
flat angles C4'-P-C4' energy: -107.777
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -103.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1293.315605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.315605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.315605 (E_RNA)
where:
Base-Base interactions energy: -831.154
where: short stacking energy: -358.710
Base-Backbone interact. energy: -1.210
local terms energy: -460.951722
where:
bonds (distance) C4'-P energy: -85.203
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -112.565
flat angles P-C4'-P energy: -66.731
tors. eta vs tors. theta energy: -92.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1167.343127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.343127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.343127 (E_RNA)
where:
Base-Base interactions energy: -746.355
where: short stacking energy: -336.841
Base-Backbone interact. energy: -0.233
local terms energy: -420.755678
where:
bonds (distance) C4'-P energy: -92.669
bonds (distance) P-C4' energy: -98.299
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -75.832
tors. eta vs tors. theta energy: -64.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -924.720594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.720594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.720594 (E_RNA)
where:
Base-Base interactions energy: -547.223
where: short stacking energy: -242.618
Base-Backbone interact. energy: -2.638
local terms energy: -374.859366
where:
bonds (distance) C4'-P energy: -107.377
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -93.829
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -25.407
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: 145
Temperature: 1.350000
Total energy: -805.217173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.217173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.217173 (E_RNA)
where:
Base-Base interactions energy: -461.239
where: short stacking energy: -233.014
Base-Backbone interact. energy: -4.965
local terms energy: -339.013478
where:
bonds (distance) C4'-P energy: -87.271
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2097.941345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.941345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.941345 (E_RNA)
where:
Base-Base interactions energy: -1480.408
where: short stacking energy: -589.913
Base-Backbone interact. energy: -6.820
local terms energy: -610.712613
where:
bonds (distance) C4'-P energy: -112.116
bonds (distance) P-C4' energy: -108.117
flat angles C4'-P-C4' energy: -130.210
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -172.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1989.012431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.012431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.012431 (E_RNA)
where:
Base-Base interactions energy: -1408.704
where: short stacking energy: -578.849
Base-Backbone interact. energy: 5.437
local terms energy: -585.744691
where:
bonds (distance) C4'-P energy: -103.984
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -132.960
flat angles P-C4'-P energy: -80.877
tors. eta vs tors. theta energy: -159.920
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1890.678620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.678620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.678620 (E_RNA)
where:
Base-Base interactions energy: -1301.134
where: short stacking energy: -511.563
Base-Backbone interact. energy: -1.940
local terms energy: -587.604167
where:
bonds (distance) C4'-P energy: -116.965
bonds (distance) P-C4' energy: -116.913
flat angles C4'-P-C4' energy: -121.976
flat angles P-C4'-P energy: -73.945
tors. eta vs tors. theta energy: -157.806
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1756.016425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.016425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.016425 (E_RNA)
where:
Base-Base interactions energy: -1199.883
where: short stacking energy: -473.560
Base-Backbone interact. energy: -2.951
local terms energy: -553.182188
where:
bonds (distance) C4'-P energy: -110.191
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -81.368
tors. eta vs tors. theta energy: -122.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1594.935093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.935093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.935093 (E_RNA)
where:
Base-Base interactions energy: -1089.416
where: short stacking energy: -454.787
Base-Backbone interact. energy: 1.485
local terms energy: -507.003332
where:
bonds (distance) C4'-P energy: -92.399
bonds (distance) P-C4' energy: -101.643
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -120.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1515.801546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.801546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.801546 (E_RNA)
where:
Base-Base interactions energy: -1017.404
where: short stacking energy: -426.696
Base-Backbone interact. energy: -2.641
local terms energy: -495.756528
where:
bonds (distance) C4'-P energy: -97.229
bonds (distance) P-C4' energy: -107.498
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -112.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1223.733588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.733588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.733588 (E_RNA)
where:
Base-Base interactions energy: -780.853
where: short stacking energy: -332.502
Base-Backbone interact. energy: -2.489
local terms energy: -440.391780
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -63.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1136.569986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.569986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.569986 (E_RNA)
where:
Base-Base interactions energy: -707.386
where: short stacking energy: -317.355
Base-Backbone interact. energy: -2.163
local terms energy: -427.020768
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -97.653
flat angles C4'-P-C4' energy: -101.016
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -70.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -948.431085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.431085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.431085 (E_RNA)
where:
Base-Base interactions energy: -562.976
where: short stacking energy: -265.626
Base-Backbone interact. energy: -0.419
local terms energy: -385.035596
where:
bonds (distance) C4'-P energy: -90.820
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -88.149
flat angles P-C4'-P energy: -55.810
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -786.600740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.600740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.600740 (E_RNA)
where:
Base-Base interactions energy: -438.935
where: short stacking energy: -197.082
Base-Backbone interact. energy: 0.162
local terms energy: -347.828149
where:
bonds (distance) C4'-P energy: -102.695
bonds (distance) P-C4' energy: -88.440
flat angles C4'-P-C4' energy: -93.124
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -15.006
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2122.864774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.864774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.864774 (E_RNA)
where:
Base-Base interactions energy: -1502.132
where: short stacking energy: -594.455
Base-Backbone interact. energy: -2.791
local terms energy: -617.942195
where:
bonds (distance) C4'-P energy: -125.197
bonds (distance) P-C4' energy: -103.960
flat angles C4'-P-C4' energy: -130.513
flat angles P-C4'-P energy: -85.078
tors. eta vs tors. theta energy: -173.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2010.022611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.022611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.022611 (E_RNA)
where:
Base-Base interactions energy: -1418.560
where: short stacking energy: -577.403
Base-Backbone interact. energy: -1.398
local terms energy: -590.064251
where:
bonds (distance) C4'-P energy: -116.512
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -115.541
flat angles P-C4'-P energy: -89.410
tors. eta vs tors. theta energy: -158.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1889.278317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.278317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.278317 (E_RNA)
where:
Base-Base interactions energy: -1309.961
where: short stacking energy: -541.878
Base-Backbone interact. energy: -0.014
local terms energy: -579.303646
where:
bonds (distance) C4'-P energy: -99.765
bonds (distance) P-C4' energy: -116.109
flat angles C4'-P-C4' energy: -133.564
flat angles P-C4'-P energy: -88.203
tors. eta vs tors. theta energy: -141.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1793.780184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.780184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.780184 (E_RNA)
where:
Base-Base interactions energy: -1242.129
where: short stacking energy: -488.380
Base-Backbone interact. energy: 1.477
local terms energy: -553.127888
where:
bonds (distance) C4'-P energy: -118.531
bonds (distance) P-C4' energy: -108.845
flat angles C4'-P-C4' energy: -130.147
flat angles P-C4'-P energy: -71.023
tors. eta vs tors. theta energy: -124.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1571.401219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.401219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.401219 (E_RNA)
where:
Base-Base interactions energy: -1049.280
where: short stacking energy: -470.127
Base-Backbone interact. energy: -0.706
local terms energy: -521.415728
where:
bonds (distance) C4'-P energy: -95.528
bonds (distance) P-C4' energy: -102.570
flat angles C4'-P-C4' energy: -121.588
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -119.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1541.791159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.791159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.791159 (E_RNA)
where:
Base-Base interactions energy: -1051.789
where: short stacking energy: -464.959
Base-Backbone interact. energy: -1.431
local terms energy: -488.571514
where:
bonds (distance) C4'-P energy: -85.564
bonds (distance) P-C4' energy: -95.136
flat angles C4'-P-C4' energy: -120.058
flat angles P-C4'-P energy: -71.972
tors. eta vs tors. theta energy: -115.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1273.718997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.718997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.718997 (E_RNA)
where:
Base-Base interactions energy: -805.659
where: short stacking energy: -379.549
Base-Backbone interact. energy: -0.539
local terms energy: -467.520668
where:
bonds (distance) C4'-P energy: -103.739
bonds (distance) P-C4' energy: -106.140
flat angles C4'-P-C4' energy: -105.051
flat angles P-C4'-P energy: -67.025
tors. eta vs tors. theta energy: -85.565
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: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1118.309993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.309993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.309993 (E_RNA)
where:
Base-Base interactions energy: -705.772
where: short stacking energy: -312.814
Base-Backbone interact. energy: -5.180
local terms energy: -407.358233
where:
bonds (distance) C4'-P energy: -104.779
bonds (distance) P-C4' energy: -92.298
flat angles C4'-P-C4' energy: -91.267
flat angles P-C4'-P energy: -62.490
tors. eta vs tors. theta energy: -56.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1017.096752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.096752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.096752 (E_RNA)
where:
Base-Base interactions energy: -622.485
where: short stacking energy: -305.959
Base-Backbone interact. energy: 0.155
local terms energy: -394.767057
where:
bonds (distance) C4'-P energy: -89.440
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -95.724
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: -49.160
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: 147
Temperature: 1.350000
Total energy: -777.141909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.141909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.141909 (E_RNA)
where:
Base-Base interactions energy: -448.466
where: short stacking energy: -229.505
Base-Backbone interact. energy: 5.915
local terms energy: -334.591066
where:
bonds (distance) C4'-P energy: -100.097
bonds (distance) P-C4' energy: -72.531
flat angles C4'-P-C4' energy: -95.398
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -15.455
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: 148
Temperature: 0.900000
Total energy: -2128.639704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.639704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.639704 (E_RNA)
where:
Base-Base interactions energy: -1499.728
where: short stacking energy: -610.007
Base-Backbone interact. energy: -3.891
local terms energy: -625.020539
where:
bonds (distance) C4'-P energy: -104.881
bonds (distance) P-C4' energy: -122.438
flat angles C4'-P-C4' energy: -138.253
flat angles P-C4'-P energy: -82.652
tors. eta vs tors. theta energy: -176.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2019.773973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.773973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.773973 (E_RNA)
where:
Base-Base interactions energy: -1416.462
where: short stacking energy: -595.846
Base-Backbone interact. energy: -2.018
local terms energy: -601.294423
where:
bonds (distance) C4'-P energy: -114.828
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -129.876
flat angles P-C4'-P energy: -90.574
tors. eta vs tors. theta energy: -166.562
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: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1891.943400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.943400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.943400 (E_RNA)
where:
Base-Base interactions energy: -1311.922
where: short stacking energy: -546.139
Base-Backbone interact. energy: -1.399
local terms energy: -578.622451
where:
bonds (distance) C4'-P energy: -95.020
bonds (distance) P-C4' energy: -118.059
flat angles C4'-P-C4' energy: -123.471
flat angles P-C4'-P energy: -82.953
tors. eta vs tors. theta energy: -159.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1799.137290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.137290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.137290 (E_RNA)
where:
Base-Base interactions energy: -1222.743
where: short stacking energy: -507.954
Base-Backbone interact. energy: 1.319
local terms energy: -577.713447
where:
bonds (distance) C4'-P energy: -109.282
bonds (distance) P-C4' energy: -102.190
flat angles C4'-P-C4' energy: -123.986
flat angles P-C4'-P energy: -97.779
tors. eta vs tors. theta energy: -144.476
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: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1570.318255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.318255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.318255 (E_RNA)
where:
Base-Base interactions energy: -1050.888
where: short stacking energy: -437.846
Base-Backbone interact. energy: -1.832
local terms energy: -517.598256
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -106.034
flat angles C4'-P-C4' energy: -114.810
flat angles P-C4'-P energy: -81.461
tors. eta vs tors. theta energy: -119.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1531.035843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.035843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.035843 (E_RNA)
where:
Base-Base interactions energy: -1040.478
where: short stacking energy: -450.318
Base-Backbone interact. energy: -0.395
local terms energy: -490.162773
where:
bonds (distance) C4'-P energy: -99.776
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -100.217
flat angles P-C4'-P energy: -76.282
tors. eta vs tors. theta energy: -113.275
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1251.814587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.814587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.814587 (E_RNA)
where:
Base-Base interactions energy: -809.119
where: short stacking energy: -353.079
Base-Backbone interact. energy: 0.276
local terms energy: -442.971881
where:
bonds (distance) C4'-P energy: -84.791
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -111.338
flat angles P-C4'-P energy: -67.937
tors. eta vs tors. theta energy: -76.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1103.306670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.306670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.306670 (E_RNA)
where:
Base-Base interactions energy: -676.505
where: short stacking energy: -296.893
Base-Backbone interact. energy: -2.204
local terms energy: -424.598347
where:
bonds (distance) C4'-P energy: -96.176
bonds (distance) P-C4' energy: -118.025
flat angles C4'-P-C4' energy: -104.210
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1031.518368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.518368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.518368 (E_RNA)
where:
Base-Base interactions energy: -639.118
where: short stacking energy: -289.558
Base-Backbone interact. energy: -1.010
local terms energy: -391.390191
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -88.154
flat angles C4'-P-C4' energy: -96.346
flat angles P-C4'-P energy: -63.752
tors. eta vs tors. theta energy: -52.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -800.446948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.446948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.446948 (E_RNA)
where:
Base-Base interactions energy: -468.385
where: short stacking energy: -248.053
Base-Backbone interact. energy: 2.332
local terms energy: -334.394335
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -96.628
flat angles C4'-P-C4' energy: -101.967
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2094.794332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.794332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.794332 (E_RNA)
where:
Base-Base interactions energy: -1493.861
where: short stacking energy: -586.085
Base-Backbone interact. energy: -2.953
local terms energy: -597.980918
where:
bonds (distance) C4'-P energy: -113.554
bonds (distance) P-C4' energy: -105.550
flat angles C4'-P-C4' energy: -124.860
flat angles P-C4'-P energy: -86.045
tors. eta vs tors. theta energy: -167.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1990.532998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.532998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.532998 (E_RNA)
where:
Base-Base interactions energy: -1390.573
where: short stacking energy: -571.169
Base-Backbone interact. energy: -2.336
local terms energy: -597.624670
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -113.804
flat angles C4'-P-C4' energy: -136.393
flat angles P-C4'-P energy: -73.686
tors. eta vs tors. theta energy: -165.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1900.725064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.725064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.725064 (E_RNA)
where:
Base-Base interactions energy: -1316.186
where: short stacking energy: -529.844
Base-Backbone interact. energy: -1.565
local terms energy: -582.974147
where:
bonds (distance) C4'-P energy: -105.864
bonds (distance) P-C4' energy: -120.684
flat angles C4'-P-C4' energy: -127.244
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -149.867
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: 149
Temperature: 1.050000
Total energy: -1815.105948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.105948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.105948 (E_RNA)
where:
Base-Base interactions energy: -1243.501
where: short stacking energy: -508.868
Base-Backbone interact. energy: -2.473
local terms energy: -569.132504
where:
bonds (distance) C4'-P energy: -115.856
bonds (distance) P-C4' energy: -107.044
flat angles C4'-P-C4' energy: -131.348
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -137.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1628.528221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.528221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.528221 (E_RNA)
where:
Base-Base interactions energy: -1103.252
where: short stacking energy: -480.276
Base-Backbone interact. energy: -2.044
local terms energy: -523.232960
where:
bonds (distance) C4'-P energy: -95.197
bonds (distance) P-C4' energy: -105.191
flat angles C4'-P-C4' energy: -113.039
flat angles P-C4'-P energy: -69.175
tors. eta vs tors. theta energy: -140.630
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1563.189679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.189679 (E_RNA)
where:
Base-Base interactions energy: -1076.283
where: short stacking energy: -432.253
Base-Backbone interact. energy: -0.972
local terms energy: -485.934346
where:
bonds (distance) C4'-P energy: -100.115
bonds (distance) P-C4' energy: -97.138
flat angles C4'-P-C4' energy: -114.043
flat angles P-C4'-P energy: -64.139
tors. eta vs tors. theta energy: -110.499
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: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1244.823928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.823928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.823928 (E_RNA)
where:
Base-Base interactions energy: -797.483
where: short stacking energy: -360.146
Base-Backbone interact. energy: -2.335
local terms energy: -445.005350
where:
bonds (distance) C4'-P energy: -94.019
bonds (distance) P-C4' energy: -98.308
flat angles C4'-P-C4' energy: -116.335
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -70.239
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1033.478948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.478948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.478948 (E_RNA)
where:
Base-Base interactions energy: -606.756
where: short stacking energy: -273.114
Base-Backbone interact. energy: 6.756
local terms energy: -433.478815
where:
bonds (distance) C4'-P energy: -124.738
bonds (distance) P-C4' energy: -96.001
flat angles C4'-P-C4' energy: -111.296
flat angles P-C4'-P energy: -53.849
tors. eta vs tors. theta energy: -47.594
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1027.717899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.717899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.717899 (E_RNA)
where:
Base-Base interactions energy: -631.324
where: short stacking energy: -276.496
Base-Backbone interact. energy: -0.290
local terms energy: -396.104343
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -106.974
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -52.845
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: 149
Temperature: 1.350000
Total energy: -816.498584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.498584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.498584 (E_RNA)
where:
Base-Base interactions energy: -468.037
where: short stacking energy: -216.363
Base-Backbone interact. energy: 6.852
local terms energy: -355.313274
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -103.657
flat angles C4'-P-C4' energy: -89.925
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -23.956
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: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2116.837554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.837554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.837554 (E_RNA)
where:
Base-Base interactions energy: -1487.614
where: short stacking energy: -585.523
Base-Backbone interact. energy: -6.817
local terms energy: -622.406586
where:
bonds (distance) C4'-P energy: -110.760
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -129.499
flat angles P-C4'-P energy: -85.761
tors. eta vs tors. theta energy: -164.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1982.278805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.278805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.278805 (E_RNA)
where:
Base-Base interactions energy: -1398.466
where: short stacking energy: -568.274
Base-Backbone interact. energy: 0.152
local terms energy: -583.964753
where:
bonds (distance) C4'-P energy: -101.395
bonds (distance) P-C4' energy: -108.067
flat angles C4'-P-C4' energy: -122.495
flat angles P-C4'-P energy: -85.576
tors. eta vs tors. theta energy: -166.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1924.451680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.451680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.451680 (E_RNA)
where:
Base-Base interactions energy: -1331.801
where: short stacking energy: -539.488
Base-Backbone interact. energy: 1.961
local terms energy: -594.612327
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -114.270
flat angles C4'-P-C4' energy: -130.358
flat angles P-C4'-P energy: -85.191
tors. eta vs tors. theta energy: -160.508
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1749.551727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.551727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.551727 (E_RNA)
where:
Base-Base interactions energy: -1219.842
where: short stacking energy: -478.319
Base-Backbone interact. energy: -2.846
local terms energy: -526.863541
where:
bonds (distance) C4'-P energy: -98.922
bonds (distance) P-C4' energy: -104.223
flat angles C4'-P-C4' energy: -121.368
flat angles P-C4'-P energy: -71.533
tors. eta vs tors. theta energy: -130.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1629.747274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.747274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.747274 (E_RNA)
where:
Base-Base interactions energy: -1116.736
where: short stacking energy: -480.050
Base-Backbone interact. energy: 0.908
local terms energy: -513.918913
where:
bonds (distance) C4'-P energy: -87.517
bonds (distance) P-C4' energy: -102.814
flat angles C4'-P-C4' energy: -118.922
flat angles P-C4'-P energy: -82.216
tors. eta vs tors. theta energy: -122.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1510.353437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.353437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.353437 (E_RNA)
where:
Base-Base interactions energy: -1017.962
where: short stacking energy: -452.726
Base-Backbone interact. energy: -2.116
local terms energy: -490.275797
where:
bonds (distance) C4'-P energy: -92.749
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -107.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1202.221354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.221354 (E_RNA)
where:
Base-Base interactions energy: -766.468
where: short stacking energy: -362.375
Base-Backbone interact. energy: 0.029
local terms energy: -435.782597
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -103.480
flat angles C4'-P-C4' energy: -90.107
flat angles P-C4'-P energy: -66.761
tors. eta vs tors. theta energy: -74.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1085.534449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.534449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.534449 (E_RNA)
where:
Base-Base interactions energy: -669.933
where: short stacking energy: -291.273
Base-Backbone interact. energy: -1.142
local terms energy: -414.459457
where:
bonds (distance) C4'-P energy: -95.263
bonds (distance) P-C4' energy: -106.230
flat angles C4'-P-C4' energy: -97.635
flat angles P-C4'-P energy: -58.283
tors. eta vs tors. theta energy: -57.048
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: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1080.167185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.167185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.167185 (E_RNA)
where:
Base-Base interactions energy: -675.495
where: short stacking energy: -287.969
Base-Backbone interact. energy: 5.279
local terms energy: -409.951291
where:
bonds (distance) C4'-P energy: -104.098
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -96.671
flat angles P-C4'-P energy: -57.426
tors. eta vs tors. theta energy: -50.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -846.816196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.816196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.816196 (E_RNA)
where:
Base-Base interactions energy: -473.319
where: short stacking energy: -236.696
Base-Backbone interact. energy: 2.425
local terms energy: -375.921570
where:
bonds (distance) C4'-P energy: -84.851
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -97.941
flat angles P-C4'-P energy: -66.523
tors. eta vs tors. theta energy: -35.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2107.620674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.620674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.620674 (E_RNA)
where:
Base-Base interactions energy: -1499.385
where: short stacking energy: -612.708
Base-Backbone interact. energy: -4.144
local terms energy: -604.091230
where:
bonds (distance) C4'-P energy: -118.683
bonds (distance) P-C4' energy: -108.377
flat angles C4'-P-C4' energy: -124.422
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -166.843
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2000.694300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.694300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.694300 (E_RNA)
where:
Base-Base interactions energy: -1390.218
where: short stacking energy: -578.666
Base-Backbone interact. energy: -3.772
local terms energy: -606.704197
where:
bonds (distance) C4'-P energy: -97.005
bonds (distance) P-C4' energy: -116.247
flat angles C4'-P-C4' energy: -133.077
flat angles P-C4'-P energy: -100.731
tors. eta vs tors. theta energy: -159.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1926.657441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.657441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.657441 (E_RNA)
where:
Base-Base interactions energy: -1330.672
where: short stacking energy: -556.149
Base-Backbone interact. energy: 3.277
local terms energy: -599.262090
where:
bonds (distance) C4'-P energy: -118.390
bonds (distance) P-C4' energy: -110.788
flat angles C4'-P-C4' energy: -129.199
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -160.874
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: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1758.685155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.685155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.685155 (E_RNA)
where:
Base-Base interactions energy: -1206.417
where: short stacking energy: -510.159
Base-Backbone interact. energy: -3.660
local terms energy: -548.607978
where:
bonds (distance) C4'-P energy: -99.619
bonds (distance) P-C4' energy: -109.490
flat angles C4'-P-C4' energy: -122.507
flat angles P-C4'-P energy: -85.026
tors. eta vs tors. theta energy: -131.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1602.741713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.741713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.741713 (E_RNA)
where:
Base-Base interactions energy: -1059.212
where: short stacking energy: -460.160
Base-Backbone interact. energy: -2.261
local terms energy: -541.268451
where:
bonds (distance) C4'-P energy: -104.080
bonds (distance) P-C4' energy: -98.608
flat angles C4'-P-C4' energy: -119.791
flat angles P-C4'-P energy: -92.860
tors. eta vs tors. theta energy: -125.929
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: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1534.769451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.769451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.769451 (E_RNA)
where:
Base-Base interactions energy: -1047.188
where: short stacking energy: -424.842
Base-Backbone interact. energy: -1.028
local terms energy: -486.553629
where:
bonds (distance) C4'-P energy: -91.022
bonds (distance) P-C4' energy: -95.988
flat angles C4'-P-C4' energy: -121.048
flat angles P-C4'-P energy: -75.852
tors. eta vs tors. theta energy: -102.644
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: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1199.096881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.096881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.096881 (E_RNA)
where:
Base-Base interactions energy: -809.340
where: short stacking energy: -350.978
Base-Backbone interact. energy: 0.694
local terms energy: -390.451084
where:
bonds (distance) C4'-P energy: -92.430
bonds (distance) P-C4' energy: -111.164
flat angles C4'-P-C4' energy: -83.171
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -60.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1101.535257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.535257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.535257 (E_RNA)
where:
Base-Base interactions energy: -691.167
where: short stacking energy: -309.735
Base-Backbone interact. energy: -0.304
local terms energy: -410.063608
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -88.229
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -72.376
tors. eta vs tors. theta energy: -56.959
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: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1032.603442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.603442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.603442 (E_RNA)
where:
Base-Base interactions energy: -661.961
where: short stacking energy: -293.452
Base-Backbone interact. energy: -1.919
local terms energy: -368.723765
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -86.828
flat angles C4'-P-C4' energy: -89.163
flat angles P-C4'-P energy: -61.439
tors. eta vs tors. theta energy: -40.494
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: 151
Temperature: 1.350000
Total energy: -777.668819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.668819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.668819 (E_RNA)
where:
Base-Base interactions energy: -415.259
where: short stacking energy: -196.296
Base-Backbone interact. energy: -2.848
local terms energy: -359.561150
where:
bonds (distance) C4'-P energy: -89.335
bonds (distance) P-C4' energy: -111.734
flat angles C4'-P-C4' energy: -91.365
flat angles P-C4'-P energy: -57.240
tors. eta vs tors. theta energy: -9.887
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: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2113.619813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.619813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.619813 (E_RNA)
where:
Base-Base interactions energy: -1496.755
where: short stacking energy: -573.270
Base-Backbone interact. energy: -1.934
local terms energy: -614.931556
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -113.714
flat angles C4'-P-C4' energy: -128.466
flat angles P-C4'-P energy: -92.603
tors. eta vs tors. theta energy: -167.340
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: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2000.820550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.820550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.820550 (E_RNA)
where:
Base-Base interactions energy: -1382.492
where: short stacking energy: -559.446
Base-Backbone interact. energy: -3.683
local terms energy: -614.645569
where:
bonds (distance) C4'-P energy: -107.947
bonds (distance) P-C4' energy: -107.956
flat angles C4'-P-C4' energy: -141.810
flat angles P-C4'-P energy: -91.985
tors. eta vs tors. theta energy: -164.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1912.620786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.620786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.620786 (E_RNA)
where:
Base-Base interactions energy: -1325.327
where: short stacking energy: -524.727
Base-Backbone interact. energy: -2.153
local terms energy: -585.140832
where:
bonds (distance) C4'-P energy: -110.784
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -121.094
flat angles P-C4'-P energy: -83.756
tors. eta vs tors. theta energy: -159.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1807.621854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.621854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.621854 (E_RNA)
where:
Base-Base interactions energy: -1251.107
where: short stacking energy: -518.565
Base-Backbone interact. energy: -3.640
local terms energy: -552.875310
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -112.622
flat angles C4'-P-C4' energy: -117.306
flat angles P-C4'-P energy: -87.319
tors. eta vs tors. theta energy: -139.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1632.644308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.644308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.644308 (E_RNA)
where:
Base-Base interactions energy: -1107.604
where: short stacking energy: -496.185
Base-Backbone interact. energy: 1.328
local terms energy: -526.368400
where:
bonds (distance) C4'-P energy: -100.008
bonds (distance) P-C4' energy: -89.807
flat angles C4'-P-C4' energy: -118.677
flat angles P-C4'-P energy: -80.951
tors. eta vs tors. theta energy: -136.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1489.402382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.402382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.402382 (E_RNA)
where:
Base-Base interactions energy: -1018.630
where: short stacking energy: -412.858
Base-Backbone interact. energy: -5.589
local terms energy: -465.183725
where:
bonds (distance) C4'-P energy: -88.703
bonds (distance) P-C4' energy: -91.676
flat angles C4'-P-C4' energy: -117.374
flat angles P-C4'-P energy: -71.575
tors. eta vs tors. theta energy: -95.856
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: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1225.714477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.714477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.714477 (E_RNA)
where:
Base-Base interactions energy: -801.221
where: short stacking energy: -350.042
Base-Backbone interact. energy: -2.618
local terms energy: -421.875660
where:
bonds (distance) C4'-P energy: -85.805
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -96.509
flat angles P-C4'-P energy: -61.021
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1116.234826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.234826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.234826 (E_RNA)
where:
Base-Base interactions energy: -721.083
where: short stacking energy: -295.614
Base-Backbone interact. energy: 0.459
local terms energy: -395.611184
where:
bonds (distance) C4'-P energy: -101.747
bonds (distance) P-C4' energy: -90.487
flat angles C4'-P-C4' energy: -91.557
flat angles P-C4'-P energy: -66.970
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1055.954542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.954542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.954542 (E_RNA)
where:
Base-Base interactions energy: -677.274
where: short stacking energy: -289.244
Base-Backbone interact. energy: -2.650
local terms energy: -376.030885
where:
bonds (distance) C4'-P energy: -88.981
bonds (distance) P-C4' energy: -83.670
flat angles C4'-P-C4' energy: -87.503
flat angles P-C4'-P energy: -65.432
tors. eta vs tors. theta energy: -50.445
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: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -828.801418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.801418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.801418 (E_RNA)
where:
Base-Base interactions energy: -479.112
where: short stacking energy: -237.969
Base-Backbone interact. energy: -1.728
local terms energy: -347.961387
where:
bonds (distance) C4'-P energy: -80.226
bonds (distance) P-C4' energy: -94.840
flat angles C4'-P-C4' energy: -102.992
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -27.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2104.578883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.578883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.578883 (E_RNA)
where:
Base-Base interactions energy: -1473.495
where: short stacking energy: -574.491
Base-Backbone interact. energy: -1.496
local terms energy: -629.587838
where:
bonds (distance) C4'-P energy: -122.103
bonds (distance) P-C4' energy: -118.454
flat angles C4'-P-C4' energy: -134.244
flat angles P-C4'-P energy: -88.471
tors. eta vs tors. theta energy: -166.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1992.145401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.145401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.145401 (E_RNA)
where:
Base-Base interactions energy: -1377.767
where: short stacking energy: -562.322
Base-Backbone interact. energy: -5.687
local terms energy: -608.691571
where:
bonds (distance) C4'-P energy: -110.093
bonds (distance) P-C4' energy: -114.340
flat angles C4'-P-C4' energy: -137.564
flat angles P-C4'-P energy: -83.447
tors. eta vs tors. theta energy: -163.248
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: 153
Temperature: 1.000000
Total energy: -1877.003438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.003438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.003438 (E_RNA)
where:
Base-Base interactions energy: -1293.727
where: short stacking energy: -538.143
Base-Backbone interact. energy: -4.229
local terms energy: -579.047285
where:
bonds (distance) C4'-P energy: -102.354
bonds (distance) P-C4' energy: -112.180
flat angles C4'-P-C4' energy: -127.122
flat angles P-C4'-P energy: -85.780
tors. eta vs tors. theta energy: -151.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1822.955993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.955993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.955993 (E_RNA)
where:
Base-Base interactions energy: -1256.869
where: short stacking energy: -534.226
Base-Backbone interact. energy: -3.264
local terms energy: -562.822766
where:
bonds (distance) C4'-P energy: -95.529
bonds (distance) P-C4' energy: -111.271
flat angles C4'-P-C4' energy: -128.263
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -142.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1644.313595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.313595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.313595 (E_RNA)
where:
Base-Base interactions energy: -1110.561
where: short stacking energy: -494.961
Base-Backbone interact. energy: 0.351
local terms energy: -534.103732
where:
bonds (distance) C4'-P energy: -91.779
bonds (distance) P-C4' energy: -103.624
flat angles C4'-P-C4' energy: -122.797
flat angles P-C4'-P energy: -81.458
tors. eta vs tors. theta energy: -134.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1551.282183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.282183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.282183 (E_RNA)
where:
Base-Base interactions energy: -1063.751
where: short stacking energy: -446.571
Base-Backbone interact. energy: 2.819
local terms energy: -490.350613
where:
bonds (distance) C4'-P energy: -108.052
bonds (distance) P-C4' energy: -106.799
flat angles C4'-P-C4' energy: -113.225
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -99.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1255.032628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.032628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.032628 (E_RNA)
where:
Base-Base interactions energy: -795.347
where: short stacking energy: -368.707
Base-Backbone interact. energy: 2.493
local terms energy: -462.179253
where:
bonds (distance) C4'-P energy: -103.877
bonds (distance) P-C4' energy: -101.216
flat angles C4'-P-C4' energy: -110.554
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -82.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1092.826020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.826020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.826020 (E_RNA)
where:
Base-Base interactions energy: -659.161
where: short stacking energy: -309.790
Base-Backbone interact. energy: -1.709
local terms energy: -431.956129
where:
bonds (distance) C4'-P energy: -100.986
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -98.286
flat angles P-C4'-P energy: -54.456
tors. eta vs tors. theta energy: -57.658
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: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1089.776879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.776879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.776879 (E_RNA)
where:
Base-Base interactions energy: -695.382
where: short stacking energy: -320.565
Base-Backbone interact. energy: -1.561
local terms energy: -392.833993
where:
bonds (distance) C4'-P energy: -72.899
bonds (distance) P-C4' energy: -101.686
flat angles C4'-P-C4' energy: -96.862
flat angles P-C4'-P energy: -61.658
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: 153
Temperature: 1.350000
Total energy: -770.700417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.700417 (E_RNA)
where:
Base-Base interactions energy: -435.929
where: short stacking energy: -192.077
Base-Backbone interact. energy: -0.694
local terms energy: -334.077316
where:
bonds (distance) C4'-P energy: -82.386
bonds (distance) P-C4' energy: -90.302
flat angles C4'-P-C4' energy: -86.788
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2099.380070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.380070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.380070 (E_RNA)
where:
Base-Base interactions energy: -1459.048
where: short stacking energy: -602.832
Base-Backbone interact. energy: -2.596
local terms energy: -637.736070
where:
bonds (distance) C4'-P energy: -119.730
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -131.525
flat angles P-C4'-P energy: -94.159
tors. eta vs tors. theta energy: -172.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1995.004033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.004033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.004033 (E_RNA)
where:
Base-Base interactions energy: -1373.209
where: short stacking energy: -553.807
Base-Backbone interact. energy: -2.355
local terms energy: -619.440611
where:
bonds (distance) C4'-P energy: -119.443
bonds (distance) P-C4' energy: -112.640
flat angles C4'-P-C4' energy: -128.731
flat angles P-C4'-P energy: -93.824
tors. eta vs tors. theta energy: -164.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1919.547123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.547123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.547123 (E_RNA)
where:
Base-Base interactions energy: -1335.064
where: short stacking energy: -547.530
Base-Backbone interact. energy: -1.513
local terms energy: -582.970177
where:
bonds (distance) C4'-P energy: -109.029
bonds (distance) P-C4' energy: -114.213
flat angles C4'-P-C4' energy: -123.208
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -158.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1806.885919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.885919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.885919 (E_RNA)
where:
Base-Base interactions energy: -1279.033
where: short stacking energy: -523.749
Base-Backbone interact. energy: -1.763
local terms energy: -526.090087
where:
bonds (distance) C4'-P energy: -107.413
bonds (distance) P-C4' energy: -98.138
flat angles C4'-P-C4' energy: -117.744
flat angles P-C4'-P energy: -58.128
tors. eta vs tors. theta energy: -144.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1628.905426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.905426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.905426 (E_RNA)
where:
Base-Base interactions energy: -1123.452
where: short stacking energy: -474.339
Base-Backbone interact. energy: -0.124
local terms energy: -505.330127
where:
bonds (distance) C4'-P energy: -101.852
bonds (distance) P-C4' energy: -95.425
flat angles C4'-P-C4' energy: -115.690
flat angles P-C4'-P energy: -64.644
tors. eta vs tors. theta energy: -127.719
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: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1485.650795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.650795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.650795 (E_RNA)
where:
Base-Base interactions energy: -983.447
where: short stacking energy: -447.993
Base-Backbone interact. energy: -0.561
local terms energy: -501.642450
where:
bonds (distance) C4'-P energy: -102.995
bonds (distance) P-C4' energy: -93.983
flat angles C4'-P-C4' energy: -114.174
flat angles P-C4'-P energy: -81.845
tors. eta vs tors. theta energy: -108.646
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: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1271.091842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.091842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.091842 (E_RNA)
where:
Base-Base interactions energy: -797.568
where: short stacking energy: -341.344
Base-Backbone interact. energy: -2.283
local terms energy: -471.241621
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -122.900
flat angles C4'-P-C4' energy: -107.518
flat angles P-C4'-P energy: -72.605
tors. eta vs tors. theta energy: -70.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1121.572297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.572297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.572297 (E_RNA)
where:
Base-Base interactions energy: -716.262
where: short stacking energy: -308.321
Base-Backbone interact. energy: -1.767
local terms energy: -403.543107
where:
bonds (distance) C4'-P energy: -82.080
bonds (distance) P-C4' energy: -90.361
flat angles C4'-P-C4' energy: -105.136
flat angles P-C4'-P energy: -60.595
tors. eta vs tors. theta energy: -65.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -981.567600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.567600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.567600 (E_RNA)
where:
Base-Base interactions energy: -631.396
where: short stacking energy: -280.739
Base-Backbone interact. energy: 10.182
local terms energy: -360.353525
where:
bonds (distance) C4'-P energy: -90.697
bonds (distance) P-C4' energy: -92.342
flat angles C4'-P-C4' energy: -82.523
flat angles P-C4'-P energy: -60.339
tors. eta vs tors. theta energy: -34.453
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: 154
Temperature: 1.350000
Total energy: -839.535432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.535432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.535432 (E_RNA)
where:
Base-Base interactions energy: -506.268
where: short stacking energy: -256.119
Base-Backbone interact. energy: 6.791
local terms energy: -340.058487
where:
bonds (distance) C4'-P energy: -92.876
bonds (distance) P-C4' energy: -103.143
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2119.591161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.591161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.591161 (E_RNA)
where:
Base-Base interactions energy: -1474.706
where: short stacking energy: -582.749
Base-Backbone interact. energy: -1.994
local terms energy: -642.891619
where:
bonds (distance) C4'-P energy: -119.803
bonds (distance) P-C4' energy: -106.649
flat angles C4'-P-C4' energy: -144.177
flat angles P-C4'-P energy: -99.836
tors. eta vs tors. theta energy: -172.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2014.631506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.631506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.631506 (E_RNA)
where:
Base-Base interactions energy: -1383.957
where: short stacking energy: -590.902
Base-Backbone interact. energy: -3.995
local terms energy: -626.680312
where:
bonds (distance) C4'-P energy: -119.002
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -129.593
flat angles P-C4'-P energy: -83.928
tors. eta vs tors. theta energy: -185.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1907.782695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.782695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.782695 (E_RNA)
where:
Base-Base interactions energy: -1320.661
where: short stacking energy: -545.480
Base-Backbone interact. energy: -3.874
local terms energy: -583.248033
where:
bonds (distance) C4'-P energy: -111.269
bonds (distance) P-C4' energy: -116.349
flat angles C4'-P-C4' energy: -115.793
flat angles P-C4'-P energy: -86.139
tors. eta vs tors. theta energy: -153.699
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: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1806.429958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.429958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.429958 (E_RNA)
where:
Base-Base interactions energy: -1225.999
where: short stacking energy: -522.573
Base-Backbone interact. energy: -4.319
local terms energy: -576.111644
where:
bonds (distance) C4'-P energy: -98.122
bonds (distance) P-C4' energy: -115.573
flat angles C4'-P-C4' energy: -123.884
flat angles P-C4'-P energy: -83.114
tors. eta vs tors. theta energy: -155.418
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: 155
Temperature: 1.100000
Total energy: -1620.723820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.723820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.723820 (E_RNA)
where:
Base-Base interactions energy: -1105.400
where: short stacking energy: -494.633
Base-Backbone interact. energy: -2.195
local terms energy: -513.128786
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -93.743
flat angles C4'-P-C4' energy: -109.780
flat angles P-C4'-P energy: -71.570
tors. eta vs tors. theta energy: -132.965
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: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1464.268596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.268596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.268596 (E_RNA)
where:
Base-Base interactions energy: -969.501
where: short stacking energy: -419.557
Base-Backbone interact. energy: 2.032
local terms energy: -496.799801
where:
bonds (distance) C4'-P energy: -98.547
bonds (distance) P-C4' energy: -116.019
flat angles C4'-P-C4' energy: -112.870
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -94.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1263.582502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.582502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.582502 (E_RNA)
where:
Base-Base interactions energy: -819.649
where: short stacking energy: -366.806
Base-Backbone interact. energy: -1.387
local terms energy: -442.546841
where:
bonds (distance) C4'-P energy: -109.462
bonds (distance) P-C4' energy: -96.222
flat angles C4'-P-C4' energy: -101.043
flat angles P-C4'-P energy: -53.234
tors. eta vs tors. theta energy: -82.587
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1092.949191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.949191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.949191 (E_RNA)
where:
Base-Base interactions energy: -677.212
where: short stacking energy: -307.169
Base-Backbone interact. energy: -1.834
local terms energy: -413.902897
where:
bonds (distance) C4'-P energy: -97.723
bonds (distance) P-C4' energy: -87.384
flat angles C4'-P-C4' energy: -90.286
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -53.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1009.235984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.235984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.235984 (E_RNA)
where:
Base-Base interactions energy: -605.666
where: short stacking energy: -279.129
Base-Backbone interact. energy: 0.529
local terms energy: -404.099016
where:
bonds (distance) C4'-P energy: -89.387
bonds (distance) P-C4' energy: -107.237
flat angles C4'-P-C4' energy: -101.051
flat angles P-C4'-P energy: -58.542
tors. eta vs tors. theta energy: -47.883
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -844.765794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.765794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.765794 (E_RNA)
where:
Base-Base interactions energy: -476.728
where: short stacking energy: -260.263
Base-Backbone interact. energy: -1.720
local terms energy: -366.318036
where:
bonds (distance) C4'-P energy: -99.485
bonds (distance) P-C4' energy: -103.537
flat angles C4'-P-C4' energy: -75.472
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -30.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2116.516527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.516527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.516527 (E_RNA)
where:
Base-Base interactions energy: -1475.292
where: short stacking energy: -606.905
Base-Backbone interact. energy: 0.533
local terms energy: -641.757093
where:
bonds (distance) C4'-P energy: -121.805
bonds (distance) P-C4' energy: -113.035
flat angles C4'-P-C4' energy: -133.619
flat angles P-C4'-P energy: -95.120
tors. eta vs tors. theta energy: -178.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2033.509138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.509138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.509138 (E_RNA)
where:
Base-Base interactions energy: -1394.341
where: short stacking energy: -595.360
Base-Backbone interact. energy: -3.822
local terms energy: -635.346016
where:
bonds (distance) C4'-P energy: -111.913
bonds (distance) P-C4' energy: -123.404
flat angles C4'-P-C4' energy: -141.232
flat angles P-C4'-P energy: -86.748
tors. eta vs tors. theta energy: -172.049
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: 156
Temperature: 1.000000
Total energy: -1923.841331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.841331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.841331 (E_RNA)
where:
Base-Base interactions energy: -1334.460
where: short stacking energy: -570.633
Base-Backbone interact. energy: -1.689
local terms energy: -587.692620
where:
bonds (distance) C4'-P energy: -110.890
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -122.805
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -167.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1796.056252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.056252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.056252 (E_RNA)
where:
Base-Base interactions energy: -1275.948
where: short stacking energy: -536.936
Base-Backbone interact. energy: 0.922
local terms energy: -521.030323
where:
bonds (distance) C4'-P energy: -97.632
bonds (distance) P-C4' energy: -98.137
flat angles C4'-P-C4' energy: -112.254
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -140.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1639.883348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.883348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.883348 (E_RNA)
where:
Base-Base interactions energy: -1128.344
where: short stacking energy: -477.765
Base-Backbone interact. energy: -1.169
local terms energy: -510.369499
where:
bonds (distance) C4'-P energy: -100.194
bonds (distance) P-C4' energy: -109.692
flat angles C4'-P-C4' energy: -105.722
flat angles P-C4'-P energy: -73.004
tors. eta vs tors. theta energy: -121.759
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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1438.005957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.005957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.005957 (E_RNA)
where:
Base-Base interactions energy: -963.106
where: short stacking energy: -407.041
Base-Backbone interact. energy: -4.664
local terms energy: -470.236064
where:
bonds (distance) C4'-P energy: -97.750
bonds (distance) P-C4' energy: -103.369
flat angles C4'-P-C4' energy: -111.119
flat angles P-C4'-P energy: -64.901
tors. eta vs tors. theta energy: -93.097
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: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1298.664278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.664278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.664278 (E_RNA)
where:
Base-Base interactions energy: -851.241
where: short stacking energy: -381.607
Base-Backbone interact. energy: -1.725
local terms energy: -445.698329
where:
bonds (distance) C4'-P energy: -88.067
bonds (distance) P-C4' energy: -107.068
flat angles C4'-P-C4' energy: -106.730
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -83.957
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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1129.789571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.789571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.789571 (E_RNA)
where:
Base-Base interactions energy: -707.084
where: short stacking energy: -324.290
Base-Backbone interact. energy: -0.703
local terms energy: -422.002998
where:
bonds (distance) C4'-P energy: -96.600
bonds (distance) P-C4' energy: -98.769
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -74.146
tors. eta vs tors. theta energy: -48.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -993.488958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.488958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.488958 (E_RNA)
where:
Base-Base interactions energy: -587.093
where: short stacking energy: -278.222
Base-Backbone interact. energy: -0.743
local terms energy: -405.653045
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -99.794
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -77.782
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -818.178287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.178287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.178287 (E_RNA)
where:
Base-Base interactions energy: -480.690
where: short stacking energy: -226.916
Base-Backbone interact. energy: -1.708
local terms energy: -335.780195
where:
bonds (distance) C4'-P energy: -104.592
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2117.160116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.160116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.160116 (E_RNA)
where:
Base-Base interactions energy: -1483.306
where: short stacking energy: -580.504
Base-Backbone interact. energy: -4.459
local terms energy: -629.394882
where:
bonds (distance) C4'-P energy: -121.531
bonds (distance) P-C4' energy: -118.896
flat angles C4'-P-C4' energy: -130.749
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -171.387
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: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2024.125227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.125227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.125227 (E_RNA)
where:
Base-Base interactions energy: -1423.350
where: short stacking energy: -567.042
Base-Backbone interact. energy: 1.461
local terms energy: -602.235387
where:
bonds (distance) C4'-P energy: -109.632
bonds (distance) P-C4' energy: -108.903
flat angles C4'-P-C4' energy: -134.395
flat angles P-C4'-P energy: -87.251
tors. eta vs tors. theta energy: -162.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1932.465050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.465050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.465050 (E_RNA)
where:
Base-Base interactions energy: -1328.966
where: short stacking energy: -580.167
Base-Backbone interact. energy: -0.291
local terms energy: -603.208190
where:
bonds (distance) C4'-P energy: -109.298
bonds (distance) P-C4' energy: -106.928
flat angles C4'-P-C4' energy: -125.165
flat angles P-C4'-P energy: -94.948
tors. eta vs tors. theta energy: -166.870
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1816.555893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.555893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.555893 (E_RNA)
where:
Base-Base interactions energy: -1256.302
where: short stacking energy: -515.406
Base-Backbone interact. energy: -3.133
local terms energy: -557.120269
where:
bonds (distance) C4'-P energy: -114.317
bonds (distance) P-C4' energy: -98.082
flat angles C4'-P-C4' energy: -118.463
flat angles P-C4'-P energy: -86.037
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: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1615.713088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.713088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.713088 (E_RNA)
where:
Base-Base interactions energy: -1105.453
where: short stacking energy: -466.701
Base-Backbone interact. energy: 0.622
local terms energy: -510.882101
where:
bonds (distance) C4'-P energy: -98.344
bonds (distance) P-C4' energy: -113.723
flat angles C4'-P-C4' energy: -123.381
flat angles P-C4'-P energy: -61.159
tors. eta vs tors. theta energy: -114.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1454.121288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.121288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.121288 (E_RNA)
where:
Base-Base interactions energy: -969.042
where: short stacking energy: -421.654
Base-Backbone interact. energy: 0.314
local terms energy: -485.393391
where:
bonds (distance) C4'-P energy: -92.183
bonds (distance) P-C4' energy: -104.118
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -79.792
tors. eta vs tors. theta energy: -109.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1323.542954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.542954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.542954 (E_RNA)
where:
Base-Base interactions energy: -864.835
where: short stacking energy: -378.786
Base-Backbone interact. energy: -3.469
local terms energy: -455.238205
where:
bonds (distance) C4'-P energy: -97.079
bonds (distance) P-C4' energy: -101.151
flat angles C4'-P-C4' energy: -101.308
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -83.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1141.960975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.960975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.960975 (E_RNA)
where:
Base-Base interactions energy: -746.116
where: short stacking energy: -326.329
Base-Backbone interact. energy: -2.501
local terms energy: -393.343422
where:
bonds (distance) C4'-P energy: -96.680
bonds (distance) P-C4' energy: -94.735
flat angles C4'-P-C4' energy: -84.492
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -51.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -966.638459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.638459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.638459 (E_RNA)
where:
Base-Base interactions energy: -592.826
where: short stacking energy: -275.701
Base-Backbone interact. energy: -0.673
local terms energy: -373.139795
where:
bonds (distance) C4'-P energy: -97.049
bonds (distance) P-C4' energy: -100.261
flat angles C4'-P-C4' energy: -88.939
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -34.421
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: 157
Temperature: 1.350000
Total energy: -720.155140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.155140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.155140 (E_RNA)
where:
Base-Base interactions energy: -419.016
where: short stacking energy: -229.153
Base-Backbone interact. energy: 6.710
local terms energy: -307.848525
where:
bonds (distance) C4'-P energy: -67.437
bonds (distance) P-C4' energy: -97.306
flat angles C4'-P-C4' energy: -79.523
flat angles P-C4'-P energy: -48.451
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2101.492947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.492947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.492947 (E_RNA)
where:
Base-Base interactions energy: -1514.624
where: short stacking energy: -601.514
Base-Backbone interact. energy: -1.216
local terms energy: -585.652780
where:
bonds (distance) C4'-P energy: -107.098
bonds (distance) P-C4' energy: -109.842
flat angles C4'-P-C4' energy: -125.590
flat angles P-C4'-P energy: -77.657
tors. eta vs tors. theta energy: -165.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2048.903019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.903019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.903019 (E_RNA)
where:
Base-Base interactions energy: -1410.398
where: short stacking energy: -575.400
Base-Backbone interact. energy: -2.789
local terms energy: -635.715139
where:
bonds (distance) C4'-P energy: -118.993
bonds (distance) P-C4' energy: -112.789
flat angles C4'-P-C4' energy: -146.146
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -172.787
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: 158
Temperature: 1.000000
Total energy: -1971.244295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.244295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.244295 (E_RNA)
where:
Base-Base interactions energy: -1348.824
where: short stacking energy: -554.529
Base-Backbone interact. energy: -3.012
local terms energy: -619.408350
where:
bonds (distance) C4'-P energy: -119.292
bonds (distance) P-C4' energy: -119.943
flat angles C4'-P-C4' energy: -132.981
flat angles P-C4'-P energy: -89.692
tors. eta vs tors. theta energy: -157.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1794.933137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.933137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.933137 (E_RNA)
where:
Base-Base interactions energy: -1234.053
where: short stacking energy: -501.807
Base-Backbone interact. energy: -1.789
local terms energy: -559.091249
where:
bonds (distance) C4'-P energy: -101.680
bonds (distance) P-C4' energy: -115.557
flat angles C4'-P-C4' energy: -110.238
flat angles P-C4'-P energy: -88.148
tors. eta vs tors. theta energy: -143.468
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1615.171408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.171408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.171408 (E_RNA)
where:
Base-Base interactions energy: -1085.629
where: short stacking energy: -467.965
Base-Backbone interact. energy: -2.403
local terms energy: -527.139052
where:
bonds (distance) C4'-P energy: -97.723
bonds (distance) P-C4' energy: -95.327
flat angles C4'-P-C4' energy: -125.810
flat angles P-C4'-P energy: -83.838
tors. eta vs tors. theta energy: -124.440
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: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1438.516008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.516008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.516008 (E_RNA)
where:
Base-Base interactions energy: -961.118
where: short stacking energy: -395.543
Base-Backbone interact. energy: -0.391
local terms energy: -477.007417
where:
bonds (distance) C4'-P energy: -98.845
bonds (distance) P-C4' energy: -100.026
flat angles C4'-P-C4' energy: -102.431
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -90.263
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: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1246.980944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.980944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.980944 (E_RNA)
where:
Base-Base interactions energy: -826.293
where: short stacking energy: -358.000
Base-Backbone interact. energy: -2.972
local terms energy: -417.715767
where:
bonds (distance) C4'-P energy: -94.383
bonds (distance) P-C4' energy: -89.847
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -61.106
tors. eta vs tors. theta energy: -64.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1156.449878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.449878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.449878 (E_RNA)
where:
Base-Base interactions energy: -761.219
where: short stacking energy: -352.382
Base-Backbone interact. energy: 2.111
local terms energy: -397.342213
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -99.758
flat angles C4'-P-C4' energy: -83.646
flat angles P-C4'-P energy: -42.624
tors. eta vs tors. theta energy: -79.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1047.285322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.285322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.285322 (E_RNA)
where:
Base-Base interactions energy: -645.613
where: short stacking energy: -305.103
Base-Backbone interact. energy: -2.874
local terms energy: -398.798708
where:
bonds (distance) C4'-P energy: -93.479
bonds (distance) P-C4' energy: -87.986
flat angles C4'-P-C4' energy: -90.636
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -64.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -749.950939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.950939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.950939 (E_RNA)
where:
Base-Base interactions energy: -417.115
where: short stacking energy: -223.934
Base-Backbone interact. energy: -1.292
local terms energy: -331.544620
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -91.663
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -31.481
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: 159
Temperature: 0.900000
Total energy: -2101.672989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.672989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.672989 (E_RNA)
where:
Base-Base interactions energy: -1481.347
where: short stacking energy: -584.204
Base-Backbone interact. energy: 0.746
local terms energy: -621.071527
where:
bonds (distance) C4'-P energy: -113.725
bonds (distance) P-C4' energy: -123.955
flat angles C4'-P-C4' energy: -135.731
flat angles P-C4'-P energy: -76.582
tors. eta vs tors. theta energy: -171.078
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: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1993.648369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.648369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.648369 (E_RNA)
where:
Base-Base interactions energy: -1371.757
where: short stacking energy: -571.267
Base-Backbone interact. energy: 0.450
local terms energy: -622.341242
where:
bonds (distance) C4'-P energy: -116.006
bonds (distance) P-C4' energy: -128.681
flat angles C4'-P-C4' energy: -128.781
flat angles P-C4'-P energy: -82.728
tors. eta vs tors. theta energy: -166.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1939.027942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.027942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.027942 (E_RNA)
where:
Base-Base interactions energy: -1353.041
where: short stacking energy: -562.467
Base-Backbone interact. energy: -0.909
local terms energy: -585.077847
where:
bonds (distance) C4'-P energy: -110.954
bonds (distance) P-C4' energy: -98.041
flat angles C4'-P-C4' energy: -129.975
flat angles P-C4'-P energy: -86.465
tors. eta vs tors. theta energy: -159.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1806.293952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.293952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.293952 (E_RNA)
where:
Base-Base interactions energy: -1267.019
where: short stacking energy: -537.547
Base-Backbone interact. energy: -2.636
local terms energy: -536.638276
where:
bonds (distance) C4'-P energy: -109.836
bonds (distance) P-C4' energy: -95.453
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -79.621
tors. eta vs tors. theta energy: -136.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1590.598316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.598316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.598316 (E_RNA)
where:
Base-Base interactions energy: -1053.800
where: short stacking energy: -452.946
Base-Backbone interact. energy: -1.892
local terms energy: -534.906105
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -125.292
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -128.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1423.675901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.675901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.675901 (E_RNA)
where:
Base-Base interactions energy: -956.350
where: short stacking energy: -423.784
Base-Backbone interact. energy: -0.835
local terms energy: -466.491191
where:
bonds (distance) C4'-P energy: -100.389
bonds (distance) P-C4' energy: -91.238
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -96.786
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1256.826678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.826678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.826678 (E_RNA)
where:
Base-Base interactions energy: -801.939
where: short stacking energy: -365.337
Base-Backbone interact. energy: -1.613
local terms energy: -453.274817
where:
bonds (distance) C4'-P energy: -93.609
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -99.818
flat angles P-C4'-P energy: -71.406
tors. eta vs tors. theta energy: -87.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1257.600945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.600945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.600945 (E_RNA)
where:
Base-Base interactions energy: -832.062
where: short stacking energy: -335.356
Base-Backbone interact. energy: 0.696
local terms energy: -426.235492
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -102.287
flat angles P-C4'-P energy: -55.530
tors. eta vs tors. theta energy: -54.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -976.896501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.896501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.896501 (E_RNA)
where:
Base-Base interactions energy: -586.538
where: short stacking energy: -268.325
Base-Backbone interact. energy: 1.716
local terms energy: -392.074580
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -102.838
flat angles C4'-P-C4' energy: -93.047
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -45.877
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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -803.116169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.116169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.116169 (E_RNA)
where:
Base-Base interactions energy: -467.991
where: short stacking energy: -226.901
Base-Backbone interact. energy: 5.142
local terms energy: -340.267565
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -111.114
flat angles C4'-P-C4' energy: -96.356
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: -16.183
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: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2089.463087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.463087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.463087 (E_RNA)
where:
Base-Base interactions energy: -1479.903
where: short stacking energy: -595.398
Base-Backbone interact. energy: 0.744
local terms energy: -610.304773
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -116.349
flat angles C4'-P-C4' energy: -137.884
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -178.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2034.383975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.383975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.383975 (E_RNA)
where:
Base-Base interactions energy: -1416.513
where: short stacking energy: -580.708
Base-Backbone interact. energy: -3.555
local terms energy: -614.315273
where:
bonds (distance) C4'-P energy: -112.549
bonds (distance) P-C4' energy: -115.149
flat angles C4'-P-C4' energy: -120.792
flat angles P-C4'-P energy: -99.088
tors. eta vs tors. theta energy: -166.738
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: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1933.557545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.557545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.557545 (E_RNA)
where:
Base-Base interactions energy: -1346.234
where: short stacking energy: -568.552
Base-Backbone interact. energy: -1.313
local terms energy: -586.010641
where:
bonds (distance) C4'-P energy: -113.932
bonds (distance) P-C4' energy: -112.069
flat angles C4'-P-C4' energy: -121.400
flat angles P-C4'-P energy: -72.570
tors. eta vs tors. theta energy: -166.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1751.485309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.485309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.485309 (E_RNA)
where:
Base-Base interactions energy: -1252.735
where: short stacking energy: -468.071
Base-Backbone interact. energy: -5.049
local terms energy: -493.701632
where:
bonds (distance) C4'-P energy: -76.999
bonds (distance) P-C4' energy: -99.453
flat angles C4'-P-C4' energy: -116.889
flat angles P-C4'-P energy: -78.294
tors. eta vs tors. theta energy: -122.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1627.566029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.566029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.566029 (E_RNA)
where:
Base-Base interactions energy: -1081.316
where: short stacking energy: -471.156
Base-Backbone interact. energy: -1.876
local terms energy: -544.373927
where:
bonds (distance) C4'-P energy: -100.814
bonds (distance) P-C4' energy: -107.871
flat angles C4'-P-C4' energy: -119.202
flat angles P-C4'-P energy: -84.486
tors. eta vs tors. theta energy: -132.001
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: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1377.315576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.315576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.315576 (E_RNA)
where:
Base-Base interactions energy: -932.779
where: short stacking energy: -371.036
Base-Backbone interact. energy: 2.951
local terms energy: -447.487163
where:
bonds (distance) C4'-P energy: -101.078
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -96.297
flat angles P-C4'-P energy: -64.004
tors. eta vs tors. theta energy: -85.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1275.137531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.137531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.137531 (E_RNA)
where:
Base-Base interactions energy: -833.535
where: short stacking energy: -364.798
Base-Backbone interact. energy: 3.429
local terms energy: -445.031724
where:
bonds (distance) C4'-P energy: -99.451
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -126.399
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -77.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1216.842506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.842506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.842506 (E_RNA)
where:
Base-Base interactions energy: -782.139
where: short stacking energy: -343.171
Base-Backbone interact. energy: 1.843
local terms energy: -436.546591
where:
bonds (distance) C4'-P energy: -90.600
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -98.812
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -71.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -979.023266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.023266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.023266 (E_RNA)
where:
Base-Base interactions energy: -565.121
where: short stacking energy: -273.684
Base-Backbone interact. energy: 2.514
local terms energy: -416.416367
where:
bonds (distance) C4'-P energy: -108.363
bonds (distance) P-C4' energy: -105.384
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -60.113
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -855.846958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.846958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.846958 (E_RNA)
where:
Base-Base interactions energy: -475.045
where: short stacking energy: -230.859
Base-Backbone interact. energy: 7.859
local terms energy: -388.660237
where:
bonds (distance) C4'-P energy: -97.228
bonds (distance) P-C4' energy: -101.762
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -70.946
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2101.725552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.725552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.725552 (E_RNA)
where:
Base-Base interactions energy: -1485.563
where: short stacking energy: -598.376
Base-Backbone interact. energy: -2.278
local terms energy: -613.884337
where:
bonds (distance) C4'-P energy: -109.229
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -126.480
flat angles P-C4'-P energy: -93.099
tors. eta vs tors. theta energy: -178.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2014.302637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.302637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.302637 (E_RNA)
where:
Base-Base interactions energy: -1373.054
where: short stacking energy: -559.108
Base-Backbone interact. energy: -0.270
local terms energy: -640.978215
where:
bonds (distance) C4'-P energy: -122.230
bonds (distance) P-C4' energy: -122.721
flat angles C4'-P-C4' energy: -135.601
flat angles P-C4'-P energy: -93.177
tors. eta vs tors. theta energy: -167.249
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1923.157558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.157558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.157558 (E_RNA)
where:
Base-Base interactions energy: -1331.665
where: short stacking energy: -531.584
Base-Backbone interact. energy: 3.864
local terms energy: -595.356546
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -112.282
flat angles C4'-P-C4' energy: -125.524
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -166.974
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: 161
Temperature: 1.050000
Total energy: -1782.684524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.684524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.684524 (E_RNA)
where:
Base-Base interactions energy: -1244.309
where: short stacking energy: -527.088
Base-Backbone interact. energy: 0.419
local terms energy: -538.794921
where:
bonds (distance) C4'-P energy: -92.502
bonds (distance) P-C4' energy: -112.280
flat angles C4'-P-C4' energy: -109.244
flat angles P-C4'-P energy: -80.778
tors. eta vs tors. theta energy: -143.992
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1608.201883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.201883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.201883 (E_RNA)
where:
Base-Base interactions energy: -1077.096
where: short stacking energy: -475.121
Base-Backbone interact. energy: 1.542
local terms energy: -532.647262
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -139.574
flat angles P-C4'-P energy: -74.622
tors. eta vs tors. theta energy: -119.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1391.927539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.927539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.927539 (E_RNA)
where:
Base-Base interactions energy: -906.028
where: short stacking energy: -383.085
Base-Backbone interact. energy: -2.521
local terms energy: -483.378423
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -115.400
flat angles C4'-P-C4' energy: -116.078
flat angles P-C4'-P energy: -66.801
tors. eta vs tors. theta energy: -77.248
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: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1231.538162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.538162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.538162 (E_RNA)
where:
Base-Base interactions energy: -844.781
where: short stacking energy: -392.760
Base-Backbone interact. energy: 1.774
local terms energy: -388.531065
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -103.364
flat angles C4'-P-C4' energy: -111.711
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -77.459
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: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1213.907543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.907543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.907543 (E_RNA)
where:
Base-Base interactions energy: -782.320
where: short stacking energy: -346.306
Base-Backbone interact. energy: 0.336
local terms energy: -431.923006
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -105.627
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -58.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -967.544959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.544959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.544959 (E_RNA)
where:
Base-Base interactions energy: -619.466
where: short stacking energy: -272.606
Base-Backbone interact. energy: -2.710
local terms energy: -345.369060
where:
bonds (distance) C4'-P energy: -82.456
bonds (distance) P-C4' energy: -95.736
flat angles C4'-P-C4' energy: -88.928
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: -23.940
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: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -849.319747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.319747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.319747 (E_RNA)
where:
Base-Base interactions energy: -500.949
where: short stacking energy: -237.332
Base-Backbone interact. energy: 0.146
local terms energy: -348.516991
where:
bonds (distance) C4'-P energy: -86.008
bonds (distance) P-C4' energy: -106.331
flat angles C4'-P-C4' energy: -82.027
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2122.401024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.401024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.401024 (E_RNA)
where:
Base-Base interactions energy: -1506.997
where: short stacking energy: -591.498
Base-Backbone interact. energy: -5.421
local terms energy: -609.982871
where:
bonds (distance) C4'-P energy: -118.687
bonds (distance) P-C4' energy: -113.421
flat angles C4'-P-C4' energy: -116.913
flat angles P-C4'-P energy: -88.272
tors. eta vs tors. theta energy: -172.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1981.298341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.298341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.298341 (E_RNA)
where:
Base-Base interactions energy: -1380.903
where: short stacking energy: -559.757
Base-Backbone interact. energy: -2.070
local terms energy: -598.325949
where:
bonds (distance) C4'-P energy: -120.982
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -125.160
flat angles P-C4'-P energy: -88.780
tors. eta vs tors. theta energy: -153.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1908.160996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.160996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.160996 (E_RNA)
where:
Base-Base interactions energy: -1297.333
where: short stacking energy: -535.164
Base-Backbone interact. energy: 0.101
local terms energy: -610.928915
where:
bonds (distance) C4'-P energy: -108.492
bonds (distance) P-C4' energy: -111.776
flat angles C4'-P-C4' energy: -133.369
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -169.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1800.863036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.863036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.863036 (E_RNA)
where:
Base-Base interactions energy: -1248.991
where: short stacking energy: -494.934
Base-Backbone interact. energy: 1.254
local terms energy: -553.126761
where:
bonds (distance) C4'-P energy: -103.188
bonds (distance) P-C4' energy: -114.432
flat angles C4'-P-C4' energy: -112.412
flat angles P-C4'-P energy: -82.787
tors. eta vs tors. theta energy: -140.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1571.804849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.804849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.804849 (E_RNA)
where:
Base-Base interactions energy: -1044.684
where: short stacking energy: -452.168
Base-Backbone interact. energy: -2.765
local terms energy: -524.355298
where:
bonds (distance) C4'-P energy: -106.004
bonds (distance) P-C4' energy: -111.521
flat angles C4'-P-C4' energy: -122.913
flat angles P-C4'-P energy: -68.859
tors. eta vs tors. theta energy: -115.059
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1414.738896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.738896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.738896 (E_RNA)
where:
Base-Base interactions energy: -942.526
where: short stacking energy: -410.725
Base-Backbone interact. energy: -3.408
local terms energy: -468.804429
where:
bonds (distance) C4'-P energy: -101.662
bonds (distance) P-C4' energy: -106.725
flat angles C4'-P-C4' energy: -100.116
flat angles P-C4'-P energy: -66.413
tors. eta vs tors. theta energy: -93.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1230.562919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.562919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.562919 (E_RNA)
where:
Base-Base interactions energy: -800.054
where: short stacking energy: -332.961
Base-Backbone interact. energy: 0.832
local terms energy: -431.340819
where:
bonds (distance) C4'-P energy: -95.772
bonds (distance) P-C4' energy: -113.917
flat angles C4'-P-C4' energy: -91.119
flat angles P-C4'-P energy: -62.352
tors. eta vs tors. theta energy: -68.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1187.183326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.183326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.183326 (E_RNA)
where:
Base-Base interactions energy: -770.937
where: short stacking energy: -367.902
Base-Backbone interact. energy: 1.815
local terms energy: -418.061188
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -95.424
flat angles C4'-P-C4' energy: -96.905
flat angles P-C4'-P energy: -52.027
tors. eta vs tors. theta energy: -87.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -990.078948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.078948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.078948 (E_RNA)
where:
Base-Base interactions energy: -605.179
where: short stacking energy: -309.197
Base-Backbone interact. energy: -0.220
local terms energy: -384.679761
where:
bonds (distance) C4'-P energy: -89.603
bonds (distance) P-C4' energy: -105.477
flat angles C4'-P-C4' energy: -89.775
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -53.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -838.163117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.163117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.163117 (E_RNA)
where:
Base-Base interactions energy: -500.782
where: short stacking energy: -239.323
Base-Backbone interact. energy: 3.939
local terms energy: -341.320604
where:
bonds (distance) C4'-P energy: -86.662
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -80.705
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2115.260049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.260049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.260049 (E_RNA)
where:
Base-Base interactions energy: -1493.791
where: short stacking energy: -595.343
Base-Backbone interact. energy: -5.808
local terms energy: -615.661300
where:
bonds (distance) C4'-P energy: -103.504
bonds (distance) P-C4' energy: -116.589
flat angles C4'-P-C4' energy: -132.325
flat angles P-C4'-P energy: -87.407
tors. eta vs tors. theta energy: -175.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1995.424840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.424840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.424840 (E_RNA)
where:
Base-Base interactions energy: -1375.617
where: short stacking energy: -589.510
Base-Backbone interact. energy: -3.307
local terms energy: -616.501626
where:
bonds (distance) C4'-P energy: -118.601
bonds (distance) P-C4' energy: -119.106
flat angles C4'-P-C4' energy: -128.005
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -174.559
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1894.859403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.859403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.859403 (E_RNA)
where:
Base-Base interactions energy: -1299.663
where: short stacking energy: -558.727
Base-Backbone interact. energy: -2.745
local terms energy: -592.451471
where:
bonds (distance) C4'-P energy: -121.649
bonds (distance) P-C4' energy: -112.280
flat angles C4'-P-C4' energy: -115.334
flat angles P-C4'-P energy: -89.520
tors. eta vs tors. theta energy: -153.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1770.668159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.668159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.668159 (E_RNA)
where:
Base-Base interactions energy: -1229.870
where: short stacking energy: -522.052
Base-Backbone interact. energy: -0.429
local terms energy: -540.368900
where:
bonds (distance) C4'-P energy: -95.732
bonds (distance) P-C4' energy: -108.439
flat angles C4'-P-C4' energy: -112.837
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -149.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1629.806767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.806767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.806767 (E_RNA)
where:
Base-Base interactions energy: -1087.009
where: short stacking energy: -481.085
Base-Backbone interact. energy: -1.527
local terms energy: -541.271007
where:
bonds (distance) C4'-P energy: -99.240
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -122.488
flat angles P-C4'-P energy: -83.618
tors. eta vs tors. theta energy: -122.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1376.947837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.947837 (E_RNA)
where:
Base-Base interactions energy: -918.374
where: short stacking energy: -391.815
Base-Backbone interact. energy: 4.593
local terms energy: -463.166519
where:
bonds (distance) C4'-P energy: -108.206
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -90.048
flat angles P-C4'-P energy: -79.621
tors. eta vs tors. theta energy: -88.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1236.684867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.684867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.684867 (E_RNA)
where:
Base-Base interactions energy: -807.566
where: short stacking energy: -344.531
Base-Backbone interact. energy: 0.219
local terms energy: -429.338199
where:
bonds (distance) C4'-P energy: -94.713
bonds (distance) P-C4' energy: -103.599
flat angles C4'-P-C4' energy: -105.763
flat angles P-C4'-P energy: -63.524
tors. eta vs tors. theta energy: -61.740
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: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1201.506808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.506808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.506808 (E_RNA)
where:
Base-Base interactions energy: -791.780
where: short stacking energy: -338.643
Base-Backbone interact. energy: 0.400
local terms energy: -410.126910
where:
bonds (distance) C4'-P energy: -85.047
bonds (distance) P-C4' energy: -107.676
flat angles C4'-P-C4' energy: -92.622
flat angles P-C4'-P energy: -54.409
tors. eta vs tors. theta energy: -70.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -939.861028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.861028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.861028 (E_RNA)
where:
Base-Base interactions energy: -574.877
where: short stacking energy: -279.423
Base-Backbone interact. energy: -0.923
local terms energy: -364.061516
where:
bonds (distance) C4'-P energy: -93.894
bonds (distance) P-C4' energy: -109.834
flat angles C4'-P-C4' energy: -86.595
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -37.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -816.715544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.715544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.715544 (E_RNA)
where:
Base-Base interactions energy: -465.713
where: short stacking energy: -216.460
Base-Backbone interact. energy: -3.374
local terms energy: -347.628320
where:
bonds (distance) C4'-P energy: -98.833
bonds (distance) P-C4' energy: -81.729
flat angles C4'-P-C4' energy: -98.174
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -16.108
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: 164
Temperature: 0.900000
Total energy: -2137.475267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.475267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.475267 (E_RNA)
where:
Base-Base interactions energy: -1520.425
where: short stacking energy: -590.396
Base-Backbone interact. energy: -1.553
local terms energy: -615.497315
where:
bonds (distance) C4'-P energy: -121.210
bonds (distance) P-C4' energy: -113.408
flat angles C4'-P-C4' energy: -124.852
flat angles P-C4'-P energy: -76.535
tors. eta vs tors. theta energy: -179.492
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: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1996.550668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.550668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.550668 (E_RNA)
where:
Base-Base interactions energy: -1414.600
where: short stacking energy: -584.199
Base-Backbone interact. energy: 0.432
local terms energy: -582.382211
where:
bonds (distance) C4'-P energy: -97.699
bonds (distance) P-C4' energy: -106.573
flat angles C4'-P-C4' energy: -130.509
flat angles P-C4'-P energy: -83.437
tors. eta vs tors. theta energy: -164.165
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: 164
Temperature: 1.000000
Total energy: -1893.255761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.255761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.255761 (E_RNA)
where:
Base-Base interactions energy: -1313.135
where: short stacking energy: -540.343
Base-Backbone interact. energy: -5.427
local terms energy: -574.693478
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -118.253
flat angles C4'-P-C4' energy: -119.175
flat angles P-C4'-P energy: -87.130
tors. eta vs tors. theta energy: -150.678
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1781.566061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.566061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.566061 (E_RNA)
where:
Base-Base interactions energy: -1218.526
where: short stacking energy: -503.190
Base-Backbone interact. energy: -1.160
local terms energy: -561.879662
where:
bonds (distance) C4'-P energy: -103.946
bonds (distance) P-C4' energy: -108.262
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -87.937
tors. eta vs tors. theta energy: -141.569
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: 164
Temperature: 1.100000
Total energy: -1616.669318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.669318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.669318 (E_RNA)
where:
Base-Base interactions energy: -1085.578
where: short stacking energy: -448.384
Base-Backbone interact. energy: -2.428
local terms energy: -528.662726
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -109.567
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -125.403
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: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1442.863811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.863811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.863811 (E_RNA)
where:
Base-Base interactions energy: -988.832
where: short stacking energy: -424.787
Base-Backbone interact. energy: 0.332
local terms energy: -454.364275
where:
bonds (distance) C4'-P energy: -98.284
bonds (distance) P-C4' energy: -66.263
flat angles C4'-P-C4' energy: -113.987
flat angles P-C4'-P energy: -72.500
tors. eta vs tors. theta energy: -103.331
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: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1267.267721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.267721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.267721 (E_RNA)
where:
Base-Base interactions energy: -820.951
where: short stacking energy: -371.169
Base-Backbone interact. energy: -0.720
local terms energy: -445.597336
where:
bonds (distance) C4'-P energy: -101.885
bonds (distance) P-C4' energy: -108.125
flat angles C4'-P-C4' energy: -102.018
flat angles P-C4'-P energy: -65.245
tors. eta vs tors. theta energy: -68.325
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: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1143.557918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.557918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.557918 (E_RNA)
where:
Base-Base interactions energy: -733.073
where: short stacking energy: -321.309
Base-Backbone interact. energy: -2.375
local terms energy: -408.110053
where:
bonds (distance) C4'-P energy: -84.721
bonds (distance) P-C4' energy: -96.455
flat angles C4'-P-C4' energy: -107.241
flat angles P-C4'-P energy: -47.119
tors. eta vs tors. theta energy: -72.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -935.059065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.059065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.059065 (E_RNA)
where:
Base-Base interactions energy: -583.585
where: short stacking energy: -261.797
Base-Backbone interact. energy: 0.180
local terms energy: -351.654092
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -66.712
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -36.069
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: 164
Temperature: 1.350000
Total energy: -746.896591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.896591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.896591 (E_RNA)
where:
Base-Base interactions energy: -430.778
where: short stacking energy: -216.830
Base-Backbone interact. energy: 2.361
local terms energy: -318.479823
where:
bonds (distance) C4'-P energy: -73.658
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -89.245
flat angles P-C4'-P energy: -53.368
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2115.484649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.484649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.484649 (E_RNA)
where:
Base-Base interactions energy: -1490.750
where: short stacking energy: -596.592
Base-Backbone interact. energy: -6.168
local terms energy: -618.566535
where:
bonds (distance) C4'-P energy: -105.292
bonds (distance) P-C4' energy: -119.046
flat angles C4'-P-C4' energy: -130.882
flat angles P-C4'-P energy: -88.506
tors. eta vs tors. theta energy: -174.840
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: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2016.515844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.515844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.515844 (E_RNA)
where:
Base-Base interactions energy: -1390.356
where: short stacking energy: -593.951
Base-Backbone interact. energy: -3.625
local terms energy: -622.535184
where:
bonds (distance) C4'-P energy: -116.841
bonds (distance) P-C4' energy: -116.643
flat angles C4'-P-C4' energy: -125.706
flat angles P-C4'-P energy: -85.701
tors. eta vs tors. theta energy: -177.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1869.047473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.047473 (E_RNA)
where:
Base-Base interactions energy: -1289.203
where: short stacking energy: -520.792
Base-Backbone interact. energy: -0.041
local terms energy: -579.803810
where:
bonds (distance) C4'-P energy: -110.770
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -126.274
flat angles P-C4'-P energy: -90.561
tors. eta vs tors. theta energy: -143.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1767.356815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.356815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.356815 (E_RNA)
where:
Base-Base interactions energy: -1214.080
where: short stacking energy: -491.781
Base-Backbone interact. energy: -3.357
local terms energy: -549.919469
where:
bonds (distance) C4'-P energy: -97.812
bonds (distance) P-C4' energy: -103.292
flat angles C4'-P-C4' energy: -116.043
flat angles P-C4'-P energy: -95.724
tors. eta vs tors. theta energy: -137.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1631.955435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.955435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.955435 (E_RNA)
where:
Base-Base interactions energy: -1105.613
where: short stacking energy: -460.275
Base-Backbone interact. energy: -3.276
local terms energy: -523.066381
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -113.610
flat angles C4'-P-C4' energy: -108.940
flat angles P-C4'-P energy: -64.285
tors. eta vs tors. theta energy: -124.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1350.216148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.216148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.216148 (E_RNA)
where:
Base-Base interactions energy: -883.897
where: short stacking energy: -379.151
Base-Backbone interact. energy: -2.293
local terms energy: -464.025358
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -105.752
flat angles C4'-P-C4' energy: -102.639
flat angles P-C4'-P energy: -52.044
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: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1265.666209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.666209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.666209 (E_RNA)
where:
Base-Base interactions energy: -830.160
where: short stacking energy: -388.084
Base-Backbone interact. energy: -0.012
local terms energy: -435.493993
where:
bonds (distance) C4'-P energy: -81.470
bonds (distance) P-C4' energy: -110.075
flat angles C4'-P-C4' energy: -109.434
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -77.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1138.729279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.729279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.729279 (E_RNA)
where:
Base-Base interactions energy: -741.534
where: short stacking energy: -308.494
Base-Backbone interact. energy: 3.649
local terms energy: -400.843752
where:
bonds (distance) C4'-P energy: -85.937
bonds (distance) P-C4' energy: -102.874
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -70.732
tors. eta vs tors. theta energy: -36.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -970.260755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.260755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.260755 (E_RNA)
where:
Base-Base interactions energy: -598.407
where: short stacking energy: -263.799
Base-Backbone interact. energy: -2.273
local terms energy: -369.580404
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -93.618
flat angles C4'-P-C4' energy: -91.418
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -39.256
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: 165
Temperature: 1.350000
Total energy: -775.361524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.361524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.361524 (E_RNA)
where:
Base-Base interactions energy: -428.063
where: short stacking energy: -210.224
Base-Backbone interact. energy: -0.865
local terms energy: -346.434139
where:
bonds (distance) C4'-P energy: -100.692
bonds (distance) P-C4' energy: -87.212
flat angles C4'-P-C4' energy: -85.436
flat angles P-C4'-P energy: -71.036
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2129.452163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.452163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.452163 (E_RNA)
where:
Base-Base interactions energy: -1499.367
where: short stacking energy: -599.516
Base-Backbone interact. energy: -5.660
local terms energy: -624.425537
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -124.495
flat angles C4'-P-C4' energy: -137.230
flat angles P-C4'-P energy: -82.323
tors. eta vs tors. theta energy: -171.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2014.204622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.204622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.204622 (E_RNA)
where:
Base-Base interactions energy: -1406.864
where: short stacking energy: -578.996
Base-Backbone interact. energy: -1.694
local terms energy: -605.646638
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -112.957
flat angles C4'-P-C4' energy: -126.302
flat angles P-C4'-P energy: -86.085
tors. eta vs tors. theta energy: -170.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1888.257546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.257546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.257546 (E_RNA)
where:
Base-Base interactions energy: -1305.795
where: short stacking energy: -521.008
Base-Backbone interact. energy: -0.599
local terms energy: -581.863214
where:
bonds (distance) C4'-P energy: -118.459
bonds (distance) P-C4' energy: -118.748
flat angles C4'-P-C4' energy: -115.201
flat angles P-C4'-P energy: -80.370
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1783.874289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.874289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.874289 (E_RNA)
where:
Base-Base interactions energy: -1233.328
where: short stacking energy: -534.891
Base-Backbone interact. energy: 4.150
local terms energy: -554.697146
where:
bonds (distance) C4'-P energy: -102.451
bonds (distance) P-C4' energy: -87.742
flat angles C4'-P-C4' energy: -127.788
flat angles P-C4'-P energy: -86.044
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1658.885108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.885108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.885108 (E_RNA)
where:
Base-Base interactions energy: -1156.526
where: short stacking energy: -488.334
Base-Backbone interact. energy: 3.022
local terms energy: -505.380846
where:
bonds (distance) C4'-P energy: -92.895
bonds (distance) P-C4' energy: -107.116
flat angles C4'-P-C4' energy: -115.908
flat angles P-C4'-P energy: -70.774
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: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1407.549537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.549537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.549537 (E_RNA)
where:
Base-Base interactions energy: -914.604
where: short stacking energy: -410.694
Base-Backbone interact. energy: -1.539
local terms energy: -491.406498
where:
bonds (distance) C4'-P energy: -108.264
bonds (distance) P-C4' energy: -121.128
flat angles C4'-P-C4' energy: -105.653
flat angles P-C4'-P energy: -67.399
tors. eta vs tors. theta energy: -88.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1289.029556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.029556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.029556 (E_RNA)
where:
Base-Base interactions energy: -815.751
where: short stacking energy: -398.501
Base-Backbone interact. energy: -2.125
local terms energy: -471.154091
where:
bonds (distance) C4'-P energy: -107.861
bonds (distance) P-C4' energy: -99.819
flat angles C4'-P-C4' energy: -100.798
flat angles P-C4'-P energy: -74.766
tors. eta vs tors. theta energy: -87.911
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1128.643763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.643763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.643763 (E_RNA)
where:
Base-Base interactions energy: -713.439
where: short stacking energy: -294.348
Base-Backbone interact. energy: -0.020
local terms energy: -415.185105
where:
bonds (distance) C4'-P energy: -87.705
bonds (distance) P-C4' energy: -91.886
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -67.198
tors. eta vs tors. theta energy: -64.379
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: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -922.631842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.631842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.631842 (E_RNA)
where:
Base-Base interactions energy: -584.325
where: short stacking energy: -277.378
Base-Backbone interact. energy: 1.795
local terms energy: -340.102294
where:
bonds (distance) C4'-P energy: -81.338
bonds (distance) P-C4' energy: -96.058
flat angles C4'-P-C4' energy: -74.631
flat angles P-C4'-P energy: -51.515
tors. eta vs tors. theta energy: -36.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -765.902767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.902767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.902767 (E_RNA)
where:
Base-Base interactions energy: -429.883
where: short stacking energy: -196.793
Base-Backbone interact. energy: -0.928
local terms energy: -335.091634
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -87.812
flat angles C4'-P-C4' energy: -90.199
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2135.809519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.809519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.809519 (E_RNA)
where:
Base-Base interactions energy: -1484.393
where: short stacking energy: -594.667
Base-Backbone interact. energy: -6.056
local terms energy: -645.360369
where:
bonds (distance) C4'-P energy: -122.186
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -136.598
flat angles P-C4'-P energy: -93.721
tors. eta vs tors. theta energy: -169.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1948.102936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.102936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.102936 (E_RNA)
where:
Base-Base interactions energy: -1348.763
where: short stacking energy: -552.669
Base-Backbone interact. energy: 3.704
local terms energy: -603.043854
where:
bonds (distance) C4'-P energy: -120.401
bonds (distance) P-C4' energy: -109.842
flat angles C4'-P-C4' energy: -121.863
flat angles P-C4'-P energy: -91.135
tors. eta vs tors. theta energy: -159.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1955.185531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.185531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.185531 (E_RNA)
where:
Base-Base interactions energy: -1343.224
where: short stacking energy: -569.453
Base-Backbone interact. energy: -1.957
local terms energy: -610.004373
where:
bonds (distance) C4'-P energy: -105.317
bonds (distance) P-C4' energy: -116.867
flat angles C4'-P-C4' energy: -135.623
flat angles P-C4'-P energy: -90.557
tors. eta vs tors. theta energy: -161.640
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: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1780.072221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.072221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.072221 (E_RNA)
where:
Base-Base interactions energy: -1207.790
where: short stacking energy: -516.162
Base-Backbone interact. energy: 0.305
local terms energy: -572.586723
where:
bonds (distance) C4'-P energy: -119.352
bonds (distance) P-C4' energy: -102.605
flat angles C4'-P-C4' energy: -130.017
flat angles P-C4'-P energy: -71.205
tors. eta vs tors. theta energy: -149.407
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: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1624.516137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.516137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.516137 (E_RNA)
where:
Base-Base interactions energy: -1125.125
where: short stacking energy: -467.694
Base-Backbone interact. energy: -1.387
local terms energy: -498.004714
where:
bonds (distance) C4'-P energy: -97.759
bonds (distance) P-C4' energy: -100.402
flat angles C4'-P-C4' energy: -123.415
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -111.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1448.996896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.996896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.996896 (E_RNA)
where:
Base-Base interactions energy: -975.561
where: short stacking energy: -437.812
Base-Backbone interact. energy: -1.908
local terms energy: -471.528186
where:
bonds (distance) C4'-P energy: -99.074
bonds (distance) P-C4' energy: -99.768
flat angles C4'-P-C4' energy: -103.963
flat angles P-C4'-P energy: -59.800
tors. eta vs tors. theta energy: -108.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1307.351499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.351499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.351499 (E_RNA)
where:
Base-Base interactions energy: -849.360
where: short stacking energy: -372.759
Base-Backbone interact. energy: 4.143
local terms energy: -462.134333
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -72.886
tors. eta vs tors. theta energy: -73.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1139.164314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.164314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.164314 (E_RNA)
where:
Base-Base interactions energy: -696.000
where: short stacking energy: -327.947
Base-Backbone interact. energy: -0.250
local terms energy: -442.913679
where:
bonds (distance) C4'-P energy: -111.215
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -99.928
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -63.059
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -844.847974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.847974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.847974 (E_RNA)
where:
Base-Base interactions energy: -494.631
where: short stacking energy: -244.676
Base-Backbone interact. energy: -0.838
local terms energy: -349.379452
where:
bonds (distance) C4'-P energy: -103.584
bonds (distance) P-C4' energy: -102.416
flat angles C4'-P-C4' energy: -69.497
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -806.201370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.201370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.201370 (E_RNA)
where:
Base-Base interactions energy: -447.210
where: short stacking energy: -205.026
Base-Backbone interact. energy: -4.130
local terms energy: -354.861045
where:
bonds (distance) C4'-P energy: -100.360
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -78.913
flat angles P-C4'-P energy: -59.958
tors. eta vs tors. theta energy: -15.144
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: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2163.723795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.723795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.723795 (E_RNA)
where:
Base-Base interactions energy: -1529.962
where: short stacking energy: -617.010
Base-Backbone interact. energy: 0.097
local terms energy: -633.859263
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -139.185
flat angles P-C4'-P energy: -79.550
tors. eta vs tors. theta energy: -165.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1942.136367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.136367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.136367 (E_RNA)
where:
Base-Base interactions energy: -1345.283
where: short stacking energy: -536.976
Base-Backbone interact. energy: -3.831
local terms energy: -593.023018
where:
bonds (distance) C4'-P energy: -112.204
bonds (distance) P-C4' energy: -108.299
flat angles C4'-P-C4' energy: -118.689
flat angles P-C4'-P energy: -90.413
tors. eta vs tors. theta energy: -163.418
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1951.024105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.024105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.024105 (E_RNA)
where:
Base-Base interactions energy: -1334.385
where: short stacking energy: -557.391
Base-Backbone interact. energy: -3.083
local terms energy: -613.555957
where:
bonds (distance) C4'-P energy: -113.009
bonds (distance) P-C4' energy: -113.081
flat angles C4'-P-C4' energy: -128.056
flat angles P-C4'-P energy: -91.878
tors. eta vs tors. theta energy: -167.531
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: 168
Temperature: 1.050000
Total energy: -1795.519260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.519260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.519260 (E_RNA)
where:
Base-Base interactions energy: -1247.574
where: short stacking energy: -536.844
Base-Backbone interact. energy: -1.246
local terms energy: -546.699924
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -85.519
flat angles C4'-P-C4' energy: -128.278
flat angles P-C4'-P energy: -86.938
tors. eta vs tors. theta energy: -143.481
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: 168
Temperature: 1.100000
Total energy: -1630.952284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.952284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.952284 (E_RNA)
where:
Base-Base interactions energy: -1105.134
where: short stacking energy: -465.604
Base-Backbone interact. energy: -1.261
local terms energy: -524.557453
where:
bonds (distance) C4'-P energy: -83.547
bonds (distance) P-C4' energy: -111.666
flat angles C4'-P-C4' energy: -121.963
flat angles P-C4'-P energy: -78.854
tors. eta vs tors. theta energy: -128.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1398.726719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.726719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.726719 (E_RNA)
where:
Base-Base interactions energy: -903.030
where: short stacking energy: -380.030
Base-Backbone interact. energy: 1.723
local terms energy: -497.419645
where:
bonds (distance) C4'-P energy: -104.839
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -109.380
flat angles P-C4'-P energy: -68.829
tors. eta vs tors. theta energy: -101.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1262.535224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.535224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.535224 (E_RNA)
where:
Base-Base interactions energy: -810.546
where: short stacking energy: -369.742
Base-Backbone interact. energy: -2.151
local terms energy: -449.838580
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -102.888
flat angles C4'-P-C4' energy: -106.985
flat angles P-C4'-P energy: -58.395
tors. eta vs tors. theta energy: -79.490
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: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1122.395043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.395043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.395043 (E_RNA)
where:
Base-Base interactions energy: -709.094
where: short stacking energy: -331.724
Base-Backbone interact. energy: 0.717
local terms energy: -414.018128
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -92.797
flat angles C4'-P-C4' energy: -99.562
flat angles P-C4'-P energy: -62.582
tors. eta vs tors. theta energy: -53.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -827.382494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.382494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.382494 (E_RNA)
where:
Base-Base interactions energy: -474.261
where: short stacking energy: -235.828
Base-Backbone interact. energy: -2.035
local terms energy: -351.087434
where:
bonds (distance) C4'-P energy: -93.926
bonds (distance) P-C4' energy: -88.076
flat angles C4'-P-C4' energy: -92.589
flat angles P-C4'-P energy: -54.912
tors. eta vs tors. theta energy: -21.584
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: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -799.581803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.581803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.581803 (E_RNA)
where:
Base-Base interactions energy: -476.943
where: short stacking energy: -222.107
Base-Backbone interact. energy: 1.645
local terms energy: -324.284009
where:
bonds (distance) C4'-P energy: -78.360
bonds (distance) P-C4' energy: -96.495
flat angles C4'-P-C4' energy: -80.231
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -22.473
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2136.598770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.598770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.598770 (E_RNA)
where:
Base-Base interactions energy: -1511.926
where: short stacking energy: -611.419
Base-Backbone interact. energy: -3.348
local terms energy: -621.324956
where:
bonds (distance) C4'-P energy: -127.368
bonds (distance) P-C4' energy: -112.465
flat angles C4'-P-C4' energy: -125.081
flat angles P-C4'-P energy: -86.384
tors. eta vs tors. theta energy: -170.027
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: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2008.815584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.815584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.815584 (E_RNA)
where:
Base-Base interactions energy: -1395.806
where: short stacking energy: -549.834
Base-Backbone interact. energy: -2.944
local terms energy: -610.065384
where:
bonds (distance) C4'-P energy: -110.337
bonds (distance) P-C4' energy: -110.525
flat angles C4'-P-C4' energy: -134.235
flat angles P-C4'-P energy: -94.165
tors. eta vs tors. theta energy: -160.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1889.756865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.756865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.756865 (E_RNA)
where:
Base-Base interactions energy: -1292.243
where: short stacking energy: -516.625
Base-Backbone interact. energy: -2.991
local terms energy: -594.522772
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -111.524
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -86.016
tors. eta vs tors. theta energy: -164.595
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: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1835.682729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.682729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.682729 (E_RNA)
where:
Base-Base interactions energy: -1250.578
where: short stacking energy: -534.106
Base-Backbone interact. energy: -1.688
local terms energy: -583.415990
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -120.075
flat angles C4'-P-C4' energy: -136.258
flat angles P-C4'-P energy: -76.806
tors. eta vs tors. theta energy: -154.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1634.262501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.262501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.262501 (E_RNA)
where:
Base-Base interactions energy: -1109.171
where: short stacking energy: -442.909
Base-Backbone interact. energy: -1.853
local terms energy: -523.239181
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -113.175
flat angles C4'-P-C4' energy: -103.327
flat angles P-C4'-P energy: -69.932
tors. eta vs tors. theta energy: -134.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1452.167616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.167616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.167616 (E_RNA)
where:
Base-Base interactions energy: -957.441
where: short stacking energy: -409.133
Base-Backbone interact. energy: -1.490
local terms energy: -493.236376
where:
bonds (distance) C4'-P energy: -98.904
bonds (distance) P-C4' energy: -104.066
flat angles C4'-P-C4' energy: -106.050
flat angles P-C4'-P energy: -87.240
tors. eta vs tors. theta energy: -96.976
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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1240.714553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.714553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.714553 (E_RNA)
where:
Base-Base interactions energy: -804.767
where: short stacking energy: -332.468
Base-Backbone interact. energy: -2.935
local terms energy: -433.012996
where:
bonds (distance) C4'-P energy: -84.387
bonds (distance) P-C4' energy: -102.254
flat angles C4'-P-C4' energy: -103.677
flat angles P-C4'-P energy: -64.848
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1107.356808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.356808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.356808 (E_RNA)
where:
Base-Base interactions energy: -693.778
where: short stacking energy: -321.193
Base-Backbone interact. energy: -0.303
local terms energy: -413.275785
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -92.398
flat angles C4'-P-C4' energy: -101.272
flat angles P-C4'-P energy: -62.822
tors. eta vs tors. theta energy: -62.642
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: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -838.361351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.361351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.361351 (E_RNA)
where:
Base-Base interactions energy: -510.656
where: short stacking energy: -230.844
Base-Backbone interact. energy: -1.051
local terms energy: -326.653923
where:
bonds (distance) C4'-P energy: -86.995
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -51.605
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -753.435190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.435190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.435190 (E_RNA)
where:
Base-Base interactions energy: -426.302
where: short stacking energy: -227.987
Base-Backbone interact. energy: -0.777
local terms energy: -326.356266
where:
bonds (distance) C4'-P energy: -88.457
bonds (distance) P-C4' energy: -97.639
flat angles C4'-P-C4' energy: -87.875
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -9.002
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2120.754890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.754890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.754890 (E_RNA)
where:
Base-Base interactions energy: -1519.187
where: short stacking energy: -591.247
Base-Backbone interact. energy: -3.380
local terms energy: -598.187801
where:
bonds (distance) C4'-P energy: -89.718
bonds (distance) P-C4' energy: -120.933
flat angles C4'-P-C4' energy: -126.043
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -169.568
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: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2002.005143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.005143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.005143 (E_RNA)
where:
Base-Base interactions energy: -1420.550
where: short stacking energy: -573.657
Base-Backbone interact. energy: -3.883
local terms energy: -577.571759
where:
bonds (distance) C4'-P energy: -97.032
bonds (distance) P-C4' energy: -106.971
flat angles C4'-P-C4' energy: -117.496
flat angles P-C4'-P energy: -87.337
tors. eta vs tors. theta energy: -168.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1887.020654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.020654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.020654 (E_RNA)
where:
Base-Base interactions energy: -1304.658
where: short stacking energy: -527.318
Base-Backbone interact. energy: 0.694
local terms energy: -583.056973
where:
bonds (distance) C4'-P energy: -117.338
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -132.940
flat angles P-C4'-P energy: -80.285
tors. eta vs tors. theta energy: -154.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1811.700775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.700775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.700775 (E_RNA)
where:
Base-Base interactions energy: -1242.225
where: short stacking energy: -527.846
Base-Backbone interact. energy: 0.793
local terms energy: -570.268498
where:
bonds (distance) C4'-P energy: -106.165
bonds (distance) P-C4' energy: -116.092
flat angles C4'-P-C4' energy: -122.631
flat angles P-C4'-P energy: -83.607
tors. eta vs tors. theta energy: -141.773
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: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1667.865737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.865737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.865737 (E_RNA)
where:
Base-Base interactions energy: -1099.057
where: short stacking energy: -445.319
Base-Backbone interact. energy: 0.771
local terms energy: -569.579407
where:
bonds (distance) C4'-P energy: -112.733
bonds (distance) P-C4' energy: -118.118
flat angles C4'-P-C4' energy: -123.136
flat angles P-C4'-P energy: -88.120
tors. eta vs tors. theta energy: -127.472
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1421.724781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.724781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.724781 (E_RNA)
where:
Base-Base interactions energy: -923.959
where: short stacking energy: -386.909
Base-Backbone interact. energy: -0.757
local terms energy: -497.007970
where:
bonds (distance) C4'-P energy: -95.368
bonds (distance) P-C4' energy: -107.926
flat angles C4'-P-C4' energy: -119.802
flat angles P-C4'-P energy: -77.230
tors. eta vs tors. theta energy: -96.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1290.164128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.164128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.164128 (E_RNA)
where:
Base-Base interactions energy: -851.990
where: short stacking energy: -383.613
Base-Backbone interact. energy: 1.852
local terms energy: -440.025579
where:
bonds (distance) C4'-P energy: -88.862
bonds (distance) P-C4' energy: -113.432
flat angles C4'-P-C4' energy: -92.791
flat angles P-C4'-P energy: -69.074
tors. eta vs tors. theta energy: -75.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1132.127296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.127296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.127296 (E_RNA)
where:
Base-Base interactions energy: -701.635
where: short stacking energy: -342.928
Base-Backbone interact. energy: -0.355
local terms energy: -430.137546
where:
bonds (distance) C4'-P energy: -95.991
bonds (distance) P-C4' energy: -101.711
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -62.914
tors. eta vs tors. theta energy: -79.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -787.844897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.844897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.844897 (E_RNA)
where:
Base-Base interactions energy: -427.598
where: short stacking energy: -216.829
Base-Backbone interact. energy: -5.535
local terms energy: -354.712145
where:
bonds (distance) C4'-P energy: -111.161
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -93.592
flat angles P-C4'-P energy: -45.829
tors. eta vs tors. theta energy: -18.488
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -796.042391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.042391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.042391 (E_RNA)
where:
Base-Base interactions energy: -440.598
where: short stacking energy: -202.102
Base-Backbone interact. energy: -0.914
local terms energy: -354.531013
where:
bonds (distance) C4'-P energy: -98.653
bonds (distance) P-C4' energy: -98.112
flat angles C4'-P-C4' energy: -79.259
flat angles P-C4'-P energy: -54.856
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2101.078287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.078287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.078287 (E_RNA)
where:
Base-Base interactions energy: -1495.568
where: short stacking energy: -570.887
Base-Backbone interact. energy: -3.721
local terms energy: -601.788962
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -113.230
flat angles C4'-P-C4' energy: -127.604
flat angles P-C4'-P energy: -81.398
tors. eta vs tors. theta energy: -171.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1998.253245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.253245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.253245 (E_RNA)
where:
Base-Base interactions energy: -1369.881
where: short stacking energy: -563.100
Base-Backbone interact. energy: -3.123
local terms energy: -625.249575
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -127.038
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -92.711
tors. eta vs tors. theta energy: -164.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1902.172461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.172461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.172461 (E_RNA)
where:
Base-Base interactions energy: -1299.512
where: short stacking energy: -522.190
Base-Backbone interact. energy: 1.060
local terms energy: -603.720218
where:
bonds (distance) C4'-P energy: -117.411
bonds (distance) P-C4' energy: -115.080
flat angles C4'-P-C4' energy: -130.797
flat angles P-C4'-P energy: -85.595
tors. eta vs tors. theta energy: -154.837
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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1785.224497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.224497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.224497 (E_RNA)
where:
Base-Base interactions energy: -1219.024
where: short stacking energy: -509.330
Base-Backbone interact. energy: -1.480
local terms energy: -564.720189
where:
bonds (distance) C4'-P energy: -94.737
bonds (distance) P-C4' energy: -113.613
flat angles C4'-P-C4' energy: -129.131
flat angles P-C4'-P energy: -84.819
tors. eta vs tors. theta energy: -142.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1622.280307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.280307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.280307 (E_RNA)
where:
Base-Base interactions energy: -1122.863
where: short stacking energy: -466.374
Base-Backbone interact. energy: -1.018
local terms energy: -498.398635
where:
bonds (distance) C4'-P energy: -95.216
bonds (distance) P-C4' energy: -95.215
flat angles C4'-P-C4' energy: -97.311
flat angles P-C4'-P energy: -85.148
tors. eta vs tors. theta energy: -125.508
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: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1439.597693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.597693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.597693 (E_RNA)
where:
Base-Base interactions energy: -954.878
where: short stacking energy: -404.612
Base-Backbone interact. energy: -1.403
local terms energy: -483.316268
where:
bonds (distance) C4'-P energy: -98.909
bonds (distance) P-C4' energy: -97.414
flat angles C4'-P-C4' energy: -116.259
flat angles P-C4'-P energy: -69.970
tors. eta vs tors. theta energy: -100.764
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: 171
Temperature: 1.200000
Total energy: -1279.036704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.036704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.036704 (E_RNA)
where:
Base-Base interactions energy: -817.054
where: short stacking energy: -378.430
Base-Backbone interact. energy: -2.109
local terms energy: -459.873477
where:
bonds (distance) C4'-P energy: -107.879
bonds (distance) P-C4' energy: -109.136
flat angles C4'-P-C4' energy: -107.277
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -84.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1169.431735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.431735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.431735 (E_RNA)
where:
Base-Base interactions energy: -720.113
where: short stacking energy: -328.112
Base-Backbone interact. energy: -0.407
local terms energy: -448.911305
where:
bonds (distance) C4'-P energy: -105.350
bonds (distance) P-C4' energy: -114.903
flat angles C4'-P-C4' energy: -97.663
flat angles P-C4'-P energy: -69.521
tors. eta vs tors. theta energy: -61.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -847.670776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.670776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.670776 (E_RNA)
where:
Base-Base interactions energy: -488.105
where: short stacking energy: -252.107
Base-Backbone interact. energy: 1.094
local terms energy: -360.659953
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -85.469
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -773.871147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.871147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.871147 (E_RNA)
where:
Base-Base interactions energy: -452.915
where: short stacking energy: -228.264
Base-Backbone interact. energy: 4.077
local terms energy: -325.033033
where:
bonds (distance) C4'-P energy: -102.082
bonds (distance) P-C4' energy: -81.516
flat angles C4'-P-C4' energy: -81.090
flat angles P-C4'-P energy: -42.099
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2136.555343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.555343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.555343 (E_RNA)
where:
Base-Base interactions energy: -1510.194
where: short stacking energy: -584.275
Base-Backbone interact. energy: -1.486
local terms energy: -624.874561
where:
bonds (distance) C4'-P energy: -117.517
bonds (distance) P-C4' energy: -103.522
flat angles C4'-P-C4' energy: -135.012
flat angles P-C4'-P energy: -99.550
tors. eta vs tors. theta energy: -169.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1981.346137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.346137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.346137 (E_RNA)
where:
Base-Base interactions energy: -1378.150
where: short stacking energy: -551.985
Base-Backbone interact. energy: -1.061
local terms energy: -602.135591
where:
bonds (distance) C4'-P energy: -107.342
bonds (distance) P-C4' energy: -112.669
flat angles C4'-P-C4' energy: -132.135
flat angles P-C4'-P energy: -86.682
tors. eta vs tors. theta energy: -163.308
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: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1871.501825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.501825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.501825 (E_RNA)
where:
Base-Base interactions energy: -1303.379
where: short stacking energy: -522.310
Base-Backbone interact. energy: -0.432
local terms energy: -567.691013
where:
bonds (distance) C4'-P energy: -113.459
bonds (distance) P-C4' energy: -104.905
flat angles C4'-P-C4' energy: -127.370
flat angles P-C4'-P energy: -79.720
tors. eta vs tors. theta energy: -142.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1782.380857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.380857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.380857 (E_RNA)
where:
Base-Base interactions energy: -1225.464
where: short stacking energy: -506.562
Base-Backbone interact. energy: -5.735
local terms energy: -551.181720
where:
bonds (distance) C4'-P energy: -109.301
bonds (distance) P-C4' energy: -109.894
flat angles C4'-P-C4' energy: -114.659
flat angles P-C4'-P energy: -76.836
tors. eta vs tors. theta energy: -140.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1596.687773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.687773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.687773 (E_RNA)
where:
Base-Base interactions energy: -1071.173
where: short stacking energy: -444.361
Base-Backbone interact. energy: -0.168
local terms energy: -525.346736
where:
bonds (distance) C4'-P energy: -105.531
bonds (distance) P-C4' energy: -100.020
flat angles C4'-P-C4' energy: -114.260
flat angles P-C4'-P energy: -81.998
tors. eta vs tors. theta energy: -123.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1410.882448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.882448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.882448 (E_RNA)
where:
Base-Base interactions energy: -917.439
where: short stacking energy: -412.716
Base-Backbone interact. energy: -1.970
local terms energy: -491.473459
where:
bonds (distance) C4'-P energy: -113.511
bonds (distance) P-C4' energy: -108.949
flat angles C4'-P-C4' energy: -106.717
flat angles P-C4'-P energy: -69.300
tors. eta vs tors. theta energy: -92.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1324.806399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.806399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.806399 (E_RNA)
where:
Base-Base interactions energy: -855.607
where: short stacking energy: -381.397
Base-Backbone interact. energy: -2.426
local terms energy: -466.773210
where:
bonds (distance) C4'-P energy: -96.210
bonds (distance) P-C4' energy: -104.547
flat angles C4'-P-C4' energy: -112.992
flat angles P-C4'-P energy: -70.464
tors. eta vs tors. theta energy: -82.560
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1125.898716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.898716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.898716 (E_RNA)
where:
Base-Base interactions energy: -739.145
where: short stacking energy: -317.681
Base-Backbone interact. energy: -3.794
local terms energy: -382.959553
where:
bonds (distance) C4'-P energy: -87.536
bonds (distance) P-C4' energy: -83.257
flat angles C4'-P-C4' energy: -90.741
flat angles P-C4'-P energy: -53.333
tors. eta vs tors. theta energy: -68.093
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -840.455919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.455919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.455919 (E_RNA)
where:
Base-Base interactions energy: -462.084
where: short stacking energy: -212.923
Base-Backbone interact. energy: -0.733
local terms energy: -377.638745
where:
bonds (distance) C4'-P energy: -90.780
bonds (distance) P-C4' energy: -113.707
flat angles C4'-P-C4' energy: -91.970
flat angles P-C4'-P energy: -62.415
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -764.106794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.106794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.106794 (E_RNA)
where:
Base-Base interactions energy: -440.721
where: short stacking energy: -190.474
Base-Backbone interact. energy: 1.593
local terms energy: -324.978866
where:
bonds (distance) C4'-P energy: -84.162
bonds (distance) P-C4' energy: -86.657
flat angles C4'-P-C4' energy: -88.137
flat angles P-C4'-P energy: -61.076
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2116.282535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.282535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.282535 (E_RNA)
where:
Base-Base interactions energy: -1498.092
where: short stacking energy: -590.423
Base-Backbone interact. energy: -1.849
local terms energy: -616.341344
where:
bonds (distance) C4'-P energy: -125.384
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -133.123
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -173.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1986.623977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.623977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.623977 (E_RNA)
where:
Base-Base interactions energy: -1388.531
where: short stacking energy: -557.229
Base-Backbone interact. energy: -2.765
local terms energy: -595.327715
where:
bonds (distance) C4'-P energy: -127.057
bonds (distance) P-C4' energy: -100.726
flat angles C4'-P-C4' energy: -121.758
flat angles P-C4'-P energy: -90.930
tors. eta vs tors. theta energy: -154.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1912.766785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.766785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.766785 (E_RNA)
where:
Base-Base interactions energy: -1315.218
where: short stacking energy: -542.026
Base-Backbone interact. energy: -0.401
local terms energy: -597.148517
where:
bonds (distance) C4'-P energy: -116.434
bonds (distance) P-C4' energy: -109.577
flat angles C4'-P-C4' energy: -124.334
flat angles P-C4'-P energy: -89.765
tors. eta vs tors. theta energy: -157.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1791.230661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.230661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.230661 (E_RNA)
where:
Base-Base interactions energy: -1237.419
where: short stacking energy: -505.895
Base-Backbone interact. energy: -3.981
local terms energy: -549.830952
where:
bonds (distance) C4'-P energy: -105.197
bonds (distance) P-C4' energy: -110.900
flat angles C4'-P-C4' energy: -115.778
flat angles P-C4'-P energy: -83.161
tors. eta vs tors. theta energy: -134.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1585.863474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.863474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.863474 (E_RNA)
where:
Base-Base interactions energy: -1059.224
where: short stacking energy: -451.048
Base-Backbone interact. energy: -1.398
local terms energy: -525.241776
where:
bonds (distance) C4'-P energy: -106.644
bonds (distance) P-C4' energy: -103.644
flat angles C4'-P-C4' energy: -123.224
flat angles P-C4'-P energy: -70.513
tors. eta vs tors. theta energy: -121.216
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: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1341.972398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.972398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.972398 (E_RNA)
where:
Base-Base interactions energy: -882.970
where: short stacking energy: -406.721
Base-Backbone interact. energy: 0.837
local terms energy: -459.839321
where:
bonds (distance) C4'-P energy: -87.653
bonds (distance) P-C4' energy: -107.516
flat angles C4'-P-C4' energy: -107.676
flat angles P-C4'-P energy: -64.036
tors. eta vs tors. theta energy: -92.958
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: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1314.404553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.404553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.404553 (E_RNA)
where:
Base-Base interactions energy: -881.106
where: short stacking energy: -383.915
Base-Backbone interact. energy: -0.552
local terms energy: -432.746434
where:
bonds (distance) C4'-P energy: -94.249
bonds (distance) P-C4' energy: -94.960
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -81.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1218.837999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.837999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.837999 (E_RNA)
where:
Base-Base interactions energy: -803.427
where: short stacking energy: -353.020
Base-Backbone interact. energy: 1.876
local terms energy: -417.286847
where:
bonds (distance) C4'-P energy: -83.542
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -83.901
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -69.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -873.097691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.097691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.097691 (E_RNA)
where:
Base-Base interactions energy: -514.048
where: short stacking energy: -232.310
Base-Backbone interact. energy: 0.078
local terms energy: -359.127463
where:
bonds (distance) C4'-P energy: -72.866
bonds (distance) P-C4' energy: -91.607
flat angles C4'-P-C4' energy: -102.636
flat angles P-C4'-P energy: -67.849
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -742.369675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.369675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.369675 (E_RNA)
where:
Base-Base interactions energy: -399.821
where: short stacking energy: -185.744
Base-Backbone interact. energy: -3.499
local terms energy: -339.048925
where:
bonds (distance) C4'-P energy: -90.580
bonds (distance) P-C4' energy: -102.407
flat angles C4'-P-C4' energy: -85.968
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -3.383
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2124.309491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.309491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.309491 (E_RNA)
where:
Base-Base interactions energy: -1499.286
where: short stacking energy: -594.599
Base-Backbone interact. energy: -3.419
local terms energy: -621.604193
where:
bonds (distance) C4'-P energy: -117.056
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -141.142
flat angles P-C4'-P energy: -79.735
tors. eta vs tors. theta energy: -170.400
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2024.268339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.268339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.268339 (E_RNA)
where:
Base-Base interactions energy: -1405.464
where: short stacking energy: -577.999
Base-Backbone interact. energy: -3.493
local terms energy: -615.311625
where:
bonds (distance) C4'-P energy: -109.630
bonds (distance) P-C4' energy: -119.957
flat angles C4'-P-C4' energy: -133.837
flat angles P-C4'-P energy: -80.660
tors. eta vs tors. theta energy: -171.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1881.818399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.818399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.818399 (E_RNA)
where:
Base-Base interactions energy: -1291.231
where: short stacking energy: -554.431
Base-Backbone interact. energy: -5.403
local terms energy: -585.184275
where:
bonds (distance) C4'-P energy: -111.293
bonds (distance) P-C4' energy: -104.664
flat angles C4'-P-C4' energy: -123.377
flat angles P-C4'-P energy: -87.201
tors. eta vs tors. theta energy: -158.649
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: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1796.673622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.673622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.673622 (E_RNA)
where:
Base-Base interactions energy: -1243.928
where: short stacking energy: -519.633
Base-Backbone interact. energy: -2.551
local terms energy: -550.194938
where:
bonds (distance) C4'-P energy: -95.950
bonds (distance) P-C4' energy: -101.604
flat angles C4'-P-C4' energy: -116.827
flat angles P-C4'-P energy: -90.902
tors. eta vs tors. theta energy: -144.911
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: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1594.322187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.322187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.322187 (E_RNA)
where:
Base-Base interactions energy: -1100.493
where: short stacking energy: -459.433
Base-Backbone interact. energy: -2.515
local terms energy: -491.314267
where:
bonds (distance) C4'-P energy: -98.699
bonds (distance) P-C4' energy: -95.157
flat angles C4'-P-C4' energy: -119.719
flat angles P-C4'-P energy: -60.705
tors. eta vs tors. theta energy: -117.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1317.224137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.224137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.224137 (E_RNA)
where:
Base-Base interactions energy: -851.420
where: short stacking energy: -384.967
Base-Backbone interact. energy: 1.992
local terms energy: -467.795789
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -104.541
flat angles C4'-P-C4' energy: -119.486
flat angles P-C4'-P energy: -65.159
tors. eta vs tors. theta energy: -88.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1329.034028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.034028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.034028 (E_RNA)
where:
Base-Base interactions energy: -885.669
where: short stacking energy: -375.771
Base-Backbone interact. energy: 0.135
local terms energy: -443.499723
where:
bonds (distance) C4'-P energy: -80.764
bonds (distance) P-C4' energy: -92.835
flat angles C4'-P-C4' energy: -117.676
flat angles P-C4'-P energy: -68.617
tors. eta vs tors. theta energy: -83.607
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: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1166.531732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.531732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.531732 (E_RNA)
where:
Base-Base interactions energy: -743.163
where: short stacking energy: -338.805
Base-Backbone interact. energy: -0.512
local terms energy: -422.856080
where:
bonds (distance) C4'-P energy: -92.265
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -101.216
flat angles P-C4'-P energy: -65.173
tors. eta vs tors. theta energy: -73.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -864.685664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.685664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.685664 (E_RNA)
where:
Base-Base interactions energy: -526.354
where: short stacking energy: -267.605
Base-Backbone interact. energy: -3.335
local terms energy: -334.996367
where:
bonds (distance) C4'-P energy: -88.477
bonds (distance) P-C4' energy: -81.350
flat angles C4'-P-C4' energy: -102.571
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -749.874145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.874145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.874145 (E_RNA)
where:
Base-Base interactions energy: -395.261
where: short stacking energy: -192.967
Base-Backbone interact. energy: 2.821
local terms energy: -357.433674
where:
bonds (distance) C4'-P energy: -94.722
bonds (distance) P-C4' energy: -93.114
flat angles C4'-P-C4' energy: -87.936
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2112.064803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.064803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.064803 (E_RNA)
where:
Base-Base interactions energy: -1517.066
where: short stacking energy: -603.381
Base-Backbone interact. energy: 0.367
local terms energy: -595.366218
where:
bonds (distance) C4'-P energy: -101.490
bonds (distance) P-C4' energy: -119.887
flat angles C4'-P-C4' energy: -119.618
flat angles P-C4'-P energy: -89.580
tors. eta vs tors. theta energy: -164.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2002.423371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.423371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.423371 (E_RNA)
where:
Base-Base interactions energy: -1413.654
where: short stacking energy: -565.294
Base-Backbone interact. energy: -2.227
local terms energy: -586.542640
where:
bonds (distance) C4'-P energy: -115.242
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -125.380
flat angles P-C4'-P energy: -71.340
tors. eta vs tors. theta energy: -160.770
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: 175
Temperature: 1.000000
Total energy: -1878.831769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.831769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.831769 (E_RNA)
where:
Base-Base interactions energy: -1288.719
where: short stacking energy: -548.541
Base-Backbone interact. energy: -2.092
local terms energy: -588.020837
where:
bonds (distance) C4'-P energy: -112.172
bonds (distance) P-C4' energy: -109.017
flat angles C4'-P-C4' energy: -131.055
flat angles P-C4'-P energy: -93.797
tors. eta vs tors. theta energy: -141.979
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: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1778.709054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.709054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.709054 (E_RNA)
where:
Base-Base interactions energy: -1230.501
where: short stacking energy: -494.755
Base-Backbone interact. energy: -0.408
local terms energy: -547.799588
where:
bonds (distance) C4'-P energy: -103.342
bonds (distance) P-C4' energy: -113.378
flat angles C4'-P-C4' energy: -110.030
flat angles P-C4'-P energy: -85.311
tors. eta vs tors. theta energy: -135.739
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1622.210920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.210920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.210920 (E_RNA)
where:
Base-Base interactions energy: -1098.097
where: short stacking energy: -467.037
Base-Backbone interact. energy: -2.598
local terms energy: -521.515765
where:
bonds (distance) C4'-P energy: -107.570
bonds (distance) P-C4' energy: -94.937
flat angles C4'-P-C4' energy: -118.101
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -124.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1421.171814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.171814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.171814 (E_RNA)
where:
Base-Base interactions energy: -923.156
where: short stacking energy: -394.329
Base-Backbone interact. energy: -0.794
local terms energy: -497.220989
where:
bonds (distance) C4'-P energy: -119.499
bonds (distance) P-C4' energy: -101.046
flat angles C4'-P-C4' energy: -104.200
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -85.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1318.300766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.300766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.300766 (E_RNA)
where:
Base-Base interactions energy: -852.761
where: short stacking energy: -372.627
Base-Backbone interact. energy: 3.051
local terms energy: -468.590771
where:
bonds (distance) C4'-P energy: -87.597
bonds (distance) P-C4' energy: -109.040
flat angles C4'-P-C4' energy: -100.718
flat angles P-C4'-P energy: -85.319
tors. eta vs tors. theta energy: -85.916
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1248.507085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.507085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.507085 (E_RNA)
where:
Base-Base interactions energy: -814.854
where: short stacking energy: -349.991
Base-Backbone interact. energy: -1.753
local terms energy: -431.899733
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -97.917
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -71.661
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -836.204275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.204275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.204275 (E_RNA)
where:
Base-Base interactions energy: -492.188
where: short stacking energy: -234.554
Base-Backbone interact. energy: -1.594
local terms energy: -342.422376
where:
bonds (distance) C4'-P energy: -76.051
bonds (distance) P-C4' energy: -95.918
flat angles C4'-P-C4' energy: -83.552
flat angles P-C4'-P energy: -60.735
tors. eta vs tors. theta energy: -26.167
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: 175
Temperature: 1.350000
Total energy: -698.221127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.221127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.221127 (E_RNA)
where:
Base-Base interactions energy: -370.395
where: short stacking energy: -200.194
Base-Backbone interact. energy: -2.518
local terms energy: -325.308247
where:
bonds (distance) C4'-P energy: -93.413
bonds (distance) P-C4' energy: -92.522
flat angles C4'-P-C4' energy: -87.035
flat angles P-C4'-P energy: -57.764
tors. eta vs tors. theta energy: 5.426
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2133.042006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.042006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.042006 (E_RNA)
where:
Base-Base interactions energy: -1523.257
where: short stacking energy: -587.244
Base-Backbone interact. energy: -1.993
local terms energy: -607.791850
where:
bonds (distance) C4'-P energy: -108.980
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -89.458
tors. eta vs tors. theta energy: -167.151
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1987.231488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.231488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.231488 (E_RNA)
where:
Base-Base interactions energy: -1373.904
where: short stacking energy: -580.215
Base-Backbone interact. energy: -2.131
local terms energy: -611.196636
where:
bonds (distance) C4'-P energy: -117.851
bonds (distance) P-C4' energy: -111.136
flat angles C4'-P-C4' energy: -125.846
flat angles P-C4'-P energy: -85.733
tors. eta vs tors. theta energy: -170.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1886.333653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.333653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.333653 (E_RNA)
where:
Base-Base interactions energy: -1290.805
where: short stacking energy: -549.309
Base-Backbone interact. energy: -3.321
local terms energy: -592.207258
where:
bonds (distance) C4'-P energy: -113.552
bonds (distance) P-C4' energy: -112.623
flat angles C4'-P-C4' energy: -125.139
flat angles P-C4'-P energy: -77.714
tors. eta vs tors. theta energy: -163.179
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1767.827194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.827194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.827194 (E_RNA)
where:
Base-Base interactions energy: -1200.600
where: short stacking energy: -477.392
Base-Backbone interact. energy: -2.325
local terms energy: -564.901262
where:
bonds (distance) C4'-P energy: -113.332
bonds (distance) P-C4' energy: -116.749
flat angles C4'-P-C4' energy: -117.447
flat angles P-C4'-P energy: -81.589
tors. eta vs tors. theta energy: -135.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1651.961506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.961506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.961506 (E_RNA)
where:
Base-Base interactions energy: -1107.417
where: short stacking energy: -465.893
Base-Backbone interact. energy: 1.310
local terms energy: -545.854314
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -105.447
flat angles C4'-P-C4' energy: -130.368
flat angles P-C4'-P energy: -63.050
tors. eta vs tors. theta energy: -141.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1404.964023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.964023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.964023 (E_RNA)
where:
Base-Base interactions energy: -903.977
where: short stacking energy: -402.627
Base-Backbone interact. energy: -0.665
local terms energy: -500.321521
where:
bonds (distance) C4'-P energy: -98.563
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -115.333
flat angles P-C4'-P energy: -66.441
tors. eta vs tors. theta energy: -103.129
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: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1320.706581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.706581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.706581 (E_RNA)
where:
Base-Base interactions energy: -866.629
where: short stacking energy: -376.261
Base-Backbone interact. energy: -1.986
local terms energy: -452.091510
where:
bonds (distance) C4'-P energy: -107.629
bonds (distance) P-C4' energy: -100.726
flat angles C4'-P-C4' energy: -99.072
flat angles P-C4'-P energy: -62.909
tors. eta vs tors. theta energy: -81.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1241.238368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.238368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.238368 (E_RNA)
where:
Base-Base interactions energy: -799.180
where: short stacking energy: -369.264
Base-Backbone interact. energy: -1.778
local terms energy: -440.279723
where:
bonds (distance) C4'-P energy: -94.557
bonds (distance) P-C4' energy: -110.474
flat angles C4'-P-C4' energy: -92.593
flat angles P-C4'-P energy: -65.542
tors. eta vs tors. theta energy: -77.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -874.070980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.070980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.070980 (E_RNA)
where:
Base-Base interactions energy: -504.811
where: short stacking energy: -227.536
Base-Backbone interact. energy: -1.273
local terms energy: -367.987073
where:
bonds (distance) C4'-P energy: -102.411
bonds (distance) P-C4' energy: -108.629
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -699.216068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.216068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.216068 (E_RNA)
where:
Base-Base interactions energy: -372.109
where: short stacking energy: -191.393
Base-Backbone interact. energy: 2.501
local terms energy: -329.607985
where:
bonds (distance) C4'-P energy: -89.733
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -48.449
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2143.361178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.361178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.361178 (E_RNA)
where:
Base-Base interactions energy: -1528.971
where: short stacking energy: -604.381
Base-Backbone interact. energy: -6.614
local terms energy: -607.776654
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -105.394
flat angles C4'-P-C4' energy: -125.355
flat angles P-C4'-P energy: -97.294
tors. eta vs tors. theta energy: -166.137
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: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1981.651316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.651316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.651316 (E_RNA)
where:
Base-Base interactions energy: -1391.021
where: short stacking energy: -575.829
Base-Backbone interact. energy: -0.051
local terms energy: -590.578774
where:
bonds (distance) C4'-P energy: -106.208
bonds (distance) P-C4' energy: -110.690
flat angles C4'-P-C4' energy: -132.858
flat angles P-C4'-P energy: -79.299
tors. eta vs tors. theta energy: -161.524
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: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1882.105535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.105535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.105535 (E_RNA)
where:
Base-Base interactions energy: -1279.882
where: short stacking energy: -511.832
Base-Backbone interact. energy: -1.762
local terms energy: -600.461573
where:
bonds (distance) C4'-P energy: -122.431
bonds (distance) P-C4' energy: -120.270
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -91.331
tors. eta vs tors. theta energy: -144.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1805.594832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.594832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.594832 (E_RNA)
where:
Base-Base interactions energy: -1249.190
where: short stacking energy: -498.615
Base-Backbone interact. energy: -7.102
local terms energy: -549.302780
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -118.120
flat angles C4'-P-C4' energy: -107.522
flat angles P-C4'-P energy: -84.387
tors. eta vs tors. theta energy: -135.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1672.126370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.126370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.126370 (E_RNA)
where:
Base-Base interactions energy: -1106.284
where: short stacking energy: -488.302
Base-Backbone interact. energy: -2.257
local terms energy: -563.585512
where:
bonds (distance) C4'-P energy: -105.227
bonds (distance) P-C4' energy: -121.916
flat angles C4'-P-C4' energy: -130.609
flat angles P-C4'-P energy: -74.053
tors. eta vs tors. theta energy: -131.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1442.016284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.016284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.016284 (E_RNA)
where:
Base-Base interactions energy: -966.073
where: short stacking energy: -412.932
Base-Backbone interact. energy: -1.588
local terms energy: -474.355573
where:
bonds (distance) C4'-P energy: -102.693
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -101.852
flat angles P-C4'-P energy: -69.056
tors. eta vs tors. theta energy: -100.162
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1285.616330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.616330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.616330 (E_RNA)
where:
Base-Base interactions energy: -836.339
where: short stacking energy: -372.579
Base-Backbone interact. energy: 4.702
local terms energy: -453.979877
where:
bonds (distance) C4'-P energy: -90.410
bonds (distance) P-C4' energy: -102.742
flat angles C4'-P-C4' energy: -105.819
flat angles P-C4'-P energy: -68.714
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: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1200.941291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.941291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.941291 (E_RNA)
where:
Base-Base interactions energy: -790.061
where: short stacking energy: -345.202
Base-Backbone interact. energy: -0.613
local terms energy: -410.267143
where:
bonds (distance) C4'-P energy: -97.481
bonds (distance) P-C4' energy: -109.019
flat angles C4'-P-C4' energy: -87.892
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -65.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -933.561105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.561105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.561105 (E_RNA)
where:
Base-Base interactions energy: -531.425
where: short stacking energy: -256.143
Base-Backbone interact. energy: 0.411
local terms energy: -402.547194
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -117.773
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -42.439
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: 177
Temperature: 1.350000
Total energy: -728.931450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.931450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.931450 (E_RNA)
where:
Base-Base interactions energy: -400.849
where: short stacking energy: -230.759
Base-Backbone interact. energy: -0.990
local terms energy: -327.092396
where:
bonds (distance) C4'-P energy: -91.881
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -78.926
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -23.427
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2134.997454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.997454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.997454 (E_RNA)
where:
Base-Base interactions energy: -1501.243
where: short stacking energy: -605.958
Base-Backbone interact. energy: -1.476
local terms energy: -632.279311
where:
bonds (distance) C4'-P energy: -118.117
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -133.709
flat angles P-C4'-P energy: -87.056
tors. eta vs tors. theta energy: -174.711
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: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2000.931144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.931144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.931144 (E_RNA)
where:
Base-Base interactions energy: -1380.489
where: short stacking energy: -579.241
Base-Backbone interact. energy: -2.688
local terms energy: -617.754906
where:
bonds (distance) C4'-P energy: -117.700
bonds (distance) P-C4' energy: -118.124
flat angles C4'-P-C4' energy: -130.429
flat angles P-C4'-P energy: -84.519
tors. eta vs tors. theta energy: -166.982
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: 178
Temperature: 1.000000
Total energy: -1933.538844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.538844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.538844 (E_RNA)
where:
Base-Base interactions energy: -1351.805
where: short stacking energy: -557.739
Base-Backbone interact. energy: -0.914
local terms energy: -580.819761
where:
bonds (distance) C4'-P energy: -104.447
bonds (distance) P-C4' energy: -108.526
flat angles C4'-P-C4' energy: -128.833
flat angles P-C4'-P energy: -93.526
tors. eta vs tors. theta energy: -145.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1766.778339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.778339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.778339 (E_RNA)
where:
Base-Base interactions energy: -1241.109
where: short stacking energy: -535.222
Base-Backbone interact. energy: -2.618
local terms energy: -523.051368
where:
bonds (distance) C4'-P energy: -99.801
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -121.815
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -140.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1657.515651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.515651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.515651 (E_RNA)
where:
Base-Base interactions energy: -1135.577
where: short stacking energy: -462.247
Base-Backbone interact. energy: -0.584
local terms energy: -521.353778
where:
bonds (distance) C4'-P energy: -97.559
bonds (distance) P-C4' energy: -118.843
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -65.450
tors. eta vs tors. theta energy: -118.879
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: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1527.999011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.999011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.999011 (E_RNA)
where:
Base-Base interactions energy: -1043.426
where: short stacking energy: -447.773
Base-Backbone interact. energy: -0.426
local terms energy: -484.146365
where:
bonds (distance) C4'-P energy: -108.106
bonds (distance) P-C4' energy: -104.204
flat angles C4'-P-C4' energy: -93.417
flat angles P-C4'-P energy: -66.991
tors. eta vs tors. theta energy: -111.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1327.675103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.675103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.675103 (E_RNA)
where:
Base-Base interactions energy: -852.233
where: short stacking energy: -383.228
Base-Backbone interact. energy: 2.404
local terms energy: -477.846443
where:
bonds (distance) C4'-P energy: -97.761
bonds (distance) P-C4' energy: -121.756
flat angles C4'-P-C4' energy: -109.179
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -95.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1185.711521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.711521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.711521 (E_RNA)
where:
Base-Base interactions energy: -762.251
where: short stacking energy: -346.184
Base-Backbone interact. energy: -1.866
local terms energy: -421.594155
where:
bonds (distance) C4'-P energy: -87.350
bonds (distance) P-C4' energy: -91.426
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -78.719
tors. eta vs tors. theta energy: -65.407
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: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -936.670968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.670968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.670968 (E_RNA)
where:
Base-Base interactions energy: -531.942
where: short stacking energy: -250.360
Base-Backbone interact. energy: 3.293
local terms energy: -408.022052
where:
bonds (distance) C4'-P energy: -91.238
bonds (distance) P-C4' energy: -106.334
flat angles C4'-P-C4' energy: -102.996
flat angles P-C4'-P energy: -72.049
tors. eta vs tors. theta energy: -35.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -706.047069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.047069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.047069 (E_RNA)
where:
Base-Base interactions energy: -385.994
where: short stacking energy: -217.386
Base-Backbone interact. energy: -0.245
local terms energy: -319.808319
where:
bonds (distance) C4'-P energy: -93.693
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -72.735
flat angles P-C4'-P energy: -55.122
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2141.995323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.995323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.995323 (E_RNA)
where:
Base-Base interactions energy: -1506.079
where: short stacking energy: -610.581
Base-Backbone interact. energy: -5.689
local terms energy: -630.227293
where:
bonds (distance) C4'-P energy: -123.498
bonds (distance) P-C4' energy: -102.639
flat angles C4'-P-C4' energy: -134.191
flat angles P-C4'-P energy: -94.027
tors. eta vs tors. theta energy: -175.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2001.440837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.440837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.440837 (E_RNA)
where:
Base-Base interactions energy: -1415.866
where: short stacking energy: -587.645
Base-Backbone interact. energy: -4.544
local terms energy: -581.031113
where:
bonds (distance) C4'-P energy: -99.194
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -121.658
flat angles P-C4'-P energy: -88.911
tors. eta vs tors. theta energy: -162.176
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: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1892.467115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.467115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.467115 (E_RNA)
where:
Base-Base interactions energy: -1309.598
where: short stacking energy: -538.058
Base-Backbone interact. energy: -3.692
local terms energy: -579.177301
where:
bonds (distance) C4'-P energy: -113.231
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -125.865
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -153.236
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: 179
Temperature: 1.050000
Total energy: -1792.013153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.013153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.013153 (E_RNA)
where:
Base-Base interactions energy: -1243.355
where: short stacking energy: -508.456
Base-Backbone interact. energy: -3.166
local terms energy: -545.491463
where:
bonds (distance) C4'-P energy: -107.755
bonds (distance) P-C4' energy: -114.869
flat angles C4'-P-C4' energy: -118.515
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -134.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1629.273877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.273877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.273877 (E_RNA)
where:
Base-Base interactions energy: -1119.671
where: short stacking energy: -464.554
Base-Backbone interact. energy: 1.290
local terms energy: -510.892309
where:
bonds (distance) C4'-P energy: -120.815
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -111.773
flat angles P-C4'-P energy: -64.005
tors. eta vs tors. theta energy: -109.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1429.923724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.923724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.923724 (E_RNA)
where:
Base-Base interactions energy: -954.482
where: short stacking energy: -394.458
Base-Backbone interact. energy: 2.431
local terms energy: -477.872786
where:
bonds (distance) C4'-P energy: -101.224
bonds (distance) P-C4' energy: -91.702
flat angles C4'-P-C4' energy: -110.813
flat angles P-C4'-P energy: -82.968
tors. eta vs tors. theta energy: -91.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1353.708407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.708407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.708407 (E_RNA)
where:
Base-Base interactions energy: -885.304
where: short stacking energy: -397.358
Base-Backbone interact. energy: -0.514
local terms energy: -467.890238
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -102.456
flat angles C4'-P-C4' energy: -105.724
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -98.374
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: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1242.509329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.509329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.509329 (E_RNA)
where:
Base-Base interactions energy: -813.871
where: short stacking energy: -367.654
Base-Backbone interact. energy: 5.070
local terms energy: -433.708085
where:
bonds (distance) C4'-P energy: -95.607
bonds (distance) P-C4' energy: -91.971
flat angles C4'-P-C4' energy: -93.226
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -85.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -874.308831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.308831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.308831 (E_RNA)
where:
Base-Base interactions energy: -514.050
where: short stacking energy: -247.488
Base-Backbone interact. energy: 0.550
local terms energy: -360.809041
where:
bonds (distance) C4'-P energy: -92.171
bonds (distance) P-C4' energy: -114.877
flat angles C4'-P-C4' energy: -86.077
flat angles P-C4'-P energy: -39.826
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -744.191973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.191973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.191973 (E_RNA)
where:
Base-Base interactions energy: -398.798
where: short stacking energy: -223.113
Base-Backbone interact. energy: -2.010
local terms energy: -343.384328
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -98.845
flat angles C4'-P-C4' energy: -78.624
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2127.990022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.990022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.990022 (E_RNA)
where:
Base-Base interactions energy: -1513.392
where: short stacking energy: -586.536
Base-Backbone interact. energy: -3.100
local terms energy: -611.498669
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -116.443
flat angles C4'-P-C4' energy: -129.000
flat angles P-C4'-P energy: -91.929
tors. eta vs tors. theta energy: -170.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1973.409736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.409736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.409736 (E_RNA)
where:
Base-Base interactions energy: -1362.245
where: short stacking energy: -569.279
Base-Backbone interact. energy: -2.381
local terms energy: -608.783738
where:
bonds (distance) C4'-P energy: -111.741
bonds (distance) P-C4' energy: -109.485
flat angles C4'-P-C4' energy: -128.829
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -167.341
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: 180
Temperature: 1.000000
Total energy: -1867.299538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.299538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.299538 (E_RNA)
where:
Base-Base interactions energy: -1299.480
where: short stacking energy: -535.047
Base-Backbone interact. energy: 3.129
local terms energy: -570.948407
where:
bonds (distance) C4'-P energy: -97.596
bonds (distance) P-C4' energy: -111.700
flat angles C4'-P-C4' energy: -122.822
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -149.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1775.693010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.693010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.693010 (E_RNA)
where:
Base-Base interactions energy: -1217.268
where: short stacking energy: -495.484
Base-Backbone interact. energy: 1.305
local terms energy: -559.730477
where:
bonds (distance) C4'-P energy: -103.258
bonds (distance) P-C4' energy: -112.831
flat angles C4'-P-C4' energy: -130.358
flat angles P-C4'-P energy: -87.566
tors. eta vs tors. theta energy: -125.718
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1624.960837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.960837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.960837 (E_RNA)
where:
Base-Base interactions energy: -1115.829
where: short stacking energy: -466.278
Base-Backbone interact. energy: -3.620
local terms energy: -505.512090
where:
bonds (distance) C4'-P energy: -93.340
bonds (distance) P-C4' energy: -106.432
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -75.157
tors. eta vs tors. theta energy: -126.355
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: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1441.761414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.761414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.761414 (E_RNA)
where:
Base-Base interactions energy: -935.505
where: short stacking energy: -400.542
Base-Backbone interact. energy: -2.462
local terms energy: -503.794251
where:
bonds (distance) C4'-P energy: -111.007
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -80.381
tors. eta vs tors. theta energy: -91.234
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: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1332.685612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.685612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.685612 (E_RNA)
where:
Base-Base interactions energy: -865.974
where: short stacking energy: -369.225
Base-Backbone interact. energy: -2.026
local terms energy: -464.685473
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -106.701
flat angles C4'-P-C4' energy: -118.751
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: -86.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1214.293347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.293347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.293347 (E_RNA)
where:
Base-Base interactions energy: -791.210
where: short stacking energy: -365.625
Base-Backbone interact. energy: -1.548
local terms energy: -421.535112
where:
bonds (distance) C4'-P energy: -105.530
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -66.086
tors. eta vs tors. theta energy: -61.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -849.076618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.076618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.076618 (E_RNA)
where:
Base-Base interactions energy: -488.692
where: short stacking energy: -221.455
Base-Backbone interact. energy: 0.027
local terms energy: -360.412395
where:
bonds (distance) C4'-P energy: -98.971
bonds (distance) P-C4' energy: -95.935
flat angles C4'-P-C4' energy: -87.653
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -29.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -670.395498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.395498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.395498 (E_RNA)
where:
Base-Base interactions energy: -353.270
where: short stacking energy: -205.132
Base-Backbone interact. energy: 2.588
local terms energy: -319.713158
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -109.676
flat angles C4'-P-C4' energy: -81.650
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2141.838686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.838686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.838686 (E_RNA)
where:
Base-Base interactions energy: -1510.886
where: short stacking energy: -596.284
Base-Backbone interact. energy: 5.747
local terms energy: -636.700041
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -129.866
flat angles C4'-P-C4' energy: -125.677
flat angles P-C4'-P energy: -87.813
tors. eta vs tors. theta energy: -178.930
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: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1966.682788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.682788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.682788 (E_RNA)
where:
Base-Base interactions energy: -1373.750
where: short stacking energy: -548.003
Base-Backbone interact. energy: -2.676
local terms energy: -590.257227
where:
bonds (distance) C4'-P energy: -119.430
bonds (distance) P-C4' energy: -104.836
flat angles C4'-P-C4' energy: -128.329
flat angles P-C4'-P energy: -89.806
tors. eta vs tors. theta energy: -147.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1889.779109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.779109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.779109 (E_RNA)
where:
Base-Base interactions energy: -1295.473
where: short stacking energy: -525.107
Base-Backbone interact. energy: -3.939
local terms energy: -590.367297
where:
bonds (distance) C4'-P energy: -102.137
bonds (distance) P-C4' energy: -113.028
flat angles C4'-P-C4' energy: -129.106
flat angles P-C4'-P energy: -96.217
tors. eta vs tors. theta energy: -149.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1772.872462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.872462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.872462 (E_RNA)
where:
Base-Base interactions energy: -1235.503
where: short stacking energy: -507.255
Base-Backbone interact. energy: -3.417
local terms energy: -533.953208
where:
bonds (distance) C4'-P energy: -91.846
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -131.522
flat angles P-C4'-P energy: -79.453
tors. eta vs tors. theta energy: -125.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1608.300031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.300031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.300031 (E_RNA)
where:
Base-Base interactions energy: -1116.951
where: short stacking energy: -481.616
Base-Backbone interact. energy: -1.480
local terms energy: -489.869376
where:
bonds (distance) C4'-P energy: -88.215
bonds (distance) P-C4' energy: -87.365
flat angles C4'-P-C4' energy: -118.750
flat angles P-C4'-P energy: -70.553
tors. eta vs tors. theta energy: -124.985
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: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1505.583890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.583890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.583890 (E_RNA)
where:
Base-Base interactions energy: -1010.159
where: short stacking energy: -430.923
Base-Backbone interact. energy: 1.559
local terms energy: -496.984085
where:
bonds (distance) C4'-P energy: -103.787
bonds (distance) P-C4' energy: -115.974
flat angles C4'-P-C4' energy: -98.197
flat angles P-C4'-P energy: -63.393
tors. eta vs tors. theta energy: -115.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1340.820922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.820922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.820922 (E_RNA)
where:
Base-Base interactions energy: -882.027
where: short stacking energy: -409.864
Base-Backbone interact. energy: -1.911
local terms energy: -456.882197
where:
bonds (distance) C4'-P energy: -87.154
bonds (distance) P-C4' energy: -100.221
flat angles C4'-P-C4' energy: -92.796
flat angles P-C4'-P energy: -76.216
tors. eta vs tors. theta energy: -100.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1186.190597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.190597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.190597 (E_RNA)
where:
Base-Base interactions energy: -753.740
where: short stacking energy: -340.203
Base-Backbone interact. energy: 0.007
local terms energy: -432.458262
where:
bonds (distance) C4'-P energy: -101.825
bonds (distance) P-C4' energy: -90.903
flat angles C4'-P-C4' energy: -98.533
flat angles P-C4'-P energy: -69.842
tors. eta vs tors. theta energy: -71.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -898.213152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.213152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.213152 (E_RNA)
where:
Base-Base interactions energy: -521.329
where: short stacking energy: -261.310
Base-Backbone interact. energy: -0.003
local terms energy: -376.881943
where:
bonds (distance) C4'-P energy: -100.334
bonds (distance) P-C4' energy: -99.570
flat angles C4'-P-C4' energy: -78.994
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -51.255
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: 181
Temperature: 1.350000
Total energy: -671.148966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.148966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.148966 (E_RNA)
where:
Base-Base interactions energy: -350.019
where: short stacking energy: -200.672
Base-Backbone interact. energy: 0.048
local terms energy: -321.178422
where:
bonds (distance) C4'-P energy: -88.317
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -72.678
flat angles P-C4'-P energy: -59.858
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2133.009392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.009392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.009392 (E_RNA)
where:
Base-Base interactions energy: -1512.091
where: short stacking energy: -625.975
Base-Backbone interact. energy: -1.393
local terms energy: -619.526172
where:
bonds (distance) C4'-P energy: -108.230
bonds (distance) P-C4' energy: -114.690
flat angles C4'-P-C4' energy: -136.121
flat angles P-C4'-P energy: -81.344
tors. eta vs tors. theta energy: -179.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1958.117345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.117345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.117345 (E_RNA)
where:
Base-Base interactions energy: -1361.856
where: short stacking energy: -541.287
Base-Backbone interact. energy: -3.588
local terms energy: -592.673328
where:
bonds (distance) C4'-P energy: -108.035
bonds (distance) P-C4' energy: -121.476
flat angles C4'-P-C4' energy: -133.394
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -155.722
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: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1908.514254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.514254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.514254 (E_RNA)
where:
Base-Base interactions energy: -1328.790
where: short stacking energy: -562.932
Base-Backbone interact. energy: -4.106
local terms energy: -575.619045
where:
bonds (distance) C4'-P energy: -107.088
bonds (distance) P-C4' energy: -116.157
flat angles C4'-P-C4' energy: -126.246
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -150.398
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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1788.721729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.721729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.721729 (E_RNA)
where:
Base-Base interactions energy: -1219.318
where: short stacking energy: -497.977
Base-Backbone interact. energy: -4.388
local terms energy: -565.015283
where:
bonds (distance) C4'-P energy: -123.322
bonds (distance) P-C4' energy: -103.678
flat angles C4'-P-C4' energy: -120.859
flat angles P-C4'-P energy: -77.382
tors. eta vs tors. theta energy: -139.774
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: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1598.139427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.139427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.139427 (E_RNA)
where:
Base-Base interactions energy: -1088.217
where: short stacking energy: -441.074
Base-Backbone interact. energy: -1.374
local terms energy: -508.548503
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -110.995
flat angles C4'-P-C4' energy: -110.761
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -109.953
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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1536.765553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.765553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.765553 (E_RNA)
where:
Base-Base interactions energy: -1001.853
where: short stacking energy: -432.026
Base-Backbone interact. energy: -3.579
local terms energy: -531.333797
where:
bonds (distance) C4'-P energy: -111.456
bonds (distance) P-C4' energy: -109.412
flat angles C4'-P-C4' energy: -108.398
flat angles P-C4'-P energy: -87.060
tors. eta vs tors. theta energy: -115.007
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1343.740897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.740897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.740897 (E_RNA)
where:
Base-Base interactions energy: -897.438
where: short stacking energy: -365.974
Base-Backbone interact. energy: 4.291
local terms energy: -450.593636
where:
bonds (distance) C4'-P energy: -88.000
bonds (distance) P-C4' energy: -107.091
flat angles C4'-P-C4' energy: -94.460
flat angles P-C4'-P energy: -79.199
tors. eta vs tors. theta energy: -81.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1231.527217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.527217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.527217 (E_RNA)
where:
Base-Base interactions energy: -797.360
where: short stacking energy: -349.174
Base-Backbone interact. energy: 0.771
local terms energy: -434.938692
where:
bonds (distance) C4'-P energy: -102.842
bonds (distance) P-C4' energy: -109.179
flat angles C4'-P-C4' energy: -103.593
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -65.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -950.108383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.108383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.108383 (E_RNA)
where:
Base-Base interactions energy: -593.209
where: short stacking energy: -276.149
Base-Backbone interact. energy: -1.005
local terms energy: -355.894308
where:
bonds (distance) C4'-P energy: -88.217
bonds (distance) P-C4' energy: -101.943
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: -37.583
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: 182
Temperature: 1.350000
Total energy: -700.464300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.464300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.464300 (E_RNA)
where:
Base-Base interactions energy: -366.000
where: short stacking energy: -200.335
Base-Backbone interact. energy: -3.198
local terms energy: -331.266884
where:
bonds (distance) C4'-P energy: -89.854
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -86.900
flat angles P-C4'-P energy: -49.983
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2119.343537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.343537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.343537 (E_RNA)
where:
Base-Base interactions energy: -1466.462
where: short stacking energy: -580.938
Base-Backbone interact. energy: -2.104
local terms energy: -650.777812
where:
bonds (distance) C4'-P energy: -122.839
bonds (distance) P-C4' energy: -117.613
flat angles C4'-P-C4' energy: -138.124
flat angles P-C4'-P energy: -99.008
tors. eta vs tors. theta energy: -173.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1954.007340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.007340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.007340 (E_RNA)
where:
Base-Base interactions energy: -1362.759
where: short stacking energy: -538.150
Base-Backbone interact. energy: -2.998
local terms energy: -588.249790
where:
bonds (distance) C4'-P energy: -97.869
bonds (distance) P-C4' energy: -117.684
flat angles C4'-P-C4' energy: -130.332
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -153.346
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1850.926109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.926109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.926109 (E_RNA)
where:
Base-Base interactions energy: -1318.182
where: short stacking energy: -554.071
Base-Backbone interact. energy: -0.524
local terms energy: -532.220391
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -102.651
flat angles C4'-P-C4' energy: -111.668
flat angles P-C4'-P energy: -77.340
tors. eta vs tors. theta energy: -143.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1787.828982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.828982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.828982 (E_RNA)
where:
Base-Base interactions energy: -1218.762
where: short stacking energy: -493.139
Base-Backbone interact. energy: -3.527
local terms energy: -565.539775
where:
bonds (distance) C4'-P energy: -121.260
bonds (distance) P-C4' energy: -115.573
flat angles C4'-P-C4' energy: -120.060
flat angles P-C4'-P energy: -80.632
tors. eta vs tors. theta energy: -128.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1613.469717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.469717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.469717 (E_RNA)
where:
Base-Base interactions energy: -1089.137
where: short stacking energy: -462.255
Base-Backbone interact. energy: 2.708
local terms energy: -527.040738
where:
bonds (distance) C4'-P energy: -97.050
bonds (distance) P-C4' energy: -97.899
flat angles C4'-P-C4' energy: -126.545
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -119.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1524.322312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.322312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.322312 (E_RNA)
where:
Base-Base interactions energy: -1026.415
where: short stacking energy: -454.270
Base-Backbone interact. energy: -2.395
local terms energy: -495.512597
where:
bonds (distance) C4'-P energy: -89.632
bonds (distance) P-C4' energy: -114.207
flat angles C4'-P-C4' energy: -114.404
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -111.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1335.416336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.416336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.416336 (E_RNA)
where:
Base-Base interactions energy: -889.110
where: short stacking energy: -367.344
Base-Backbone interact. energy: -3.313
local terms energy: -442.993942
where:
bonds (distance) C4'-P energy: -101.530
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -106.553
flat angles P-C4'-P energy: -66.173
tors. eta vs tors. theta energy: -75.576
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: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1218.136105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.136105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.136105 (E_RNA)
where:
Base-Base interactions energy: -785.470
where: short stacking energy: -345.273
Base-Backbone interact. energy: -0.922
local terms energy: -431.744516
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -95.345
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -58.702
tors. eta vs tors. theta energy: -68.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -862.438532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.438532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.438532 (E_RNA)
where:
Base-Base interactions energy: -497.074
where: short stacking energy: -244.174
Base-Backbone interact. energy: -2.825
local terms energy: -362.540356
where:
bonds (distance) C4'-P energy: -93.167
bonds (distance) P-C4' energy: -108.483
flat angles C4'-P-C4' energy: -93.283
flat angles P-C4'-P energy: -51.497
tors. eta vs tors. theta energy: -16.110
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: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -687.940891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.940891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.940891 (E_RNA)
where:
Base-Base interactions energy: -359.008
where: short stacking energy: -192.405
Base-Backbone interact. energy: -0.744
local terms energy: -328.189209
where:
bonds (distance) C4'-P energy: -89.558
bonds (distance) P-C4' energy: -98.940
flat angles C4'-P-C4' energy: -90.886
flat angles P-C4'-P energy: -50.917
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2114.699919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.699919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.699919 (E_RNA)
where:
Base-Base interactions energy: -1481.716
where: short stacking energy: -603.184
Base-Backbone interact. energy: -4.584
local terms energy: -628.400240
where:
bonds (distance) C4'-P energy: -120.743
bonds (distance) P-C4' energy: -112.969
flat angles C4'-P-C4' energy: -134.816
flat angles P-C4'-P energy: -90.395
tors. eta vs tors. theta energy: -169.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1954.411822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.411822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.411822 (E_RNA)
where:
Base-Base interactions energy: -1368.649
where: short stacking energy: -529.956
Base-Backbone interact. energy: -5.005
local terms energy: -580.758019
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -124.154
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -81.893
tors. eta vs tors. theta energy: -151.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1882.645535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.645535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.645535 (E_RNA)
where:
Base-Base interactions energy: -1323.386
where: short stacking energy: -540.810
Base-Backbone interact. energy: -2.714
local terms energy: -556.546377
where:
bonds (distance) C4'-P energy: -98.952
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -131.189
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -147.187
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: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1793.245326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.245326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.245326 (E_RNA)
where:
Base-Base interactions energy: -1224.015
where: short stacking energy: -481.099
Base-Backbone interact. energy: -3.050
local terms energy: -566.179672
where:
bonds (distance) C4'-P energy: -102.512
bonds (distance) P-C4' energy: -111.870
flat angles C4'-P-C4' energy: -123.917
flat angles P-C4'-P energy: -82.926
tors. eta vs tors. theta energy: -144.956
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1617.362293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.362293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.362293 (E_RNA)
where:
Base-Base interactions energy: -1094.133
where: short stacking energy: -473.263
Base-Backbone interact. energy: -1.674
local terms energy: -521.554670
where:
bonds (distance) C4'-P energy: -100.837
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -118.292
flat angles P-C4'-P energy: -73.256
tors. eta vs tors. theta energy: -126.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1472.375103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.375103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.375103 (E_RNA)
where:
Base-Base interactions energy: -997.407
where: short stacking energy: -420.052
Base-Backbone interact. energy: -0.380
local terms energy: -474.587671
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -99.087
flat angles C4'-P-C4' energy: -112.551
flat angles P-C4'-P energy: -65.927
tors. eta vs tors. theta energy: -103.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1421.180163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.180163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.180163 (E_RNA)
where:
Base-Base interactions energy: -954.253
where: short stacking energy: -413.663
Base-Backbone interact. energy: 3.166
local terms energy: -470.093136
where:
bonds (distance) C4'-P energy: -83.301
bonds (distance) P-C4' energy: -109.287
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -59.533
tors. eta vs tors. theta energy: -102.884
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: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1199.489463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.489463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.489463 (E_RNA)
where:
Base-Base interactions energy: -779.173
where: short stacking energy: -337.955
Base-Backbone interact. energy: 4.766
local terms energy: -425.082834
where:
bonds (distance) C4'-P energy: -83.035
bonds (distance) P-C4' energy: -103.950
flat angles C4'-P-C4' energy: -110.431
flat angles P-C4'-P energy: -65.563
tors. eta vs tors. theta energy: -62.104
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: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -867.667687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.667687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.667687 (E_RNA)
where:
Base-Base interactions energy: -500.437
where: short stacking energy: -271.038
Base-Backbone interact. energy: -1.614
local terms energy: -365.616837
where:
bonds (distance) C4'-P energy: -112.196
bonds (distance) P-C4' energy: -91.050
flat angles C4'-P-C4' energy: -89.282
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -32.383
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -698.718127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.718127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.718127 (E_RNA)
where:
Base-Base interactions energy: -392.171
where: short stacking energy: -200.823
Base-Backbone interact. energy: 1.380
local terms energy: -307.926911
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -102.851
flat angles C4'-P-C4' energy: -80.136
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: 11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2124.752465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.752465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.752465 (E_RNA)
where:
Base-Base interactions energy: -1501.073
where: short stacking energy: -597.369
Base-Backbone interact. energy: -5.506
local terms energy: -618.173260
where:
bonds (distance) C4'-P energy: -117.395
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -141.224
flat angles P-C4'-P energy: -82.685
tors. eta vs tors. theta energy: -175.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1976.898951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.898951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.898951 (E_RNA)
where:
Base-Base interactions energy: -1382.419
where: short stacking energy: -552.403
Base-Backbone interact. energy: 1.540
local terms energy: -596.019287
where:
bonds (distance) C4'-P energy: -106.335
bonds (distance) P-C4' energy: -115.270
flat angles C4'-P-C4' energy: -132.102
flat angles P-C4'-P energy: -86.043
tors. eta vs tors. theta energy: -156.271
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: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1930.711868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.711868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.711868 (E_RNA)
where:
Base-Base interactions energy: -1323.393
where: short stacking energy: -533.983
Base-Backbone interact. energy: -1.171
local terms energy: -606.148181
where:
bonds (distance) C4'-P energy: -117.143
bonds (distance) P-C4' energy: -115.944
flat angles C4'-P-C4' energy: -133.588
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: -168.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1799.770286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.770286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.770286 (E_RNA)
where:
Base-Base interactions energy: -1267.960
where: short stacking energy: -506.423
Base-Backbone interact. energy: 2.795
local terms energy: -534.605721
where:
bonds (distance) C4'-P energy: -108.254
bonds (distance) P-C4' energy: -102.422
flat angles C4'-P-C4' energy: -128.102
flat angles P-C4'-P energy: -72.207
tors. eta vs tors. theta energy: -123.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1608.382622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.382622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.382622 (E_RNA)
where:
Base-Base interactions energy: -1095.610
where: short stacking energy: -485.422
Base-Backbone interact. energy: -1.705
local terms energy: -511.067168
where:
bonds (distance) C4'-P energy: -109.593
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -109.586
flat angles P-C4'-P energy: -60.072
tors. eta vs tors. theta energy: -129.671
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: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1512.865379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.865379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.865379 (E_RNA)
where:
Base-Base interactions energy: -1019.890
where: short stacking energy: -417.911
Base-Backbone interact. energy: -1.116
local terms energy: -491.859815
where:
bonds (distance) C4'-P energy: -102.865
bonds (distance) P-C4' energy: -97.231
flat angles C4'-P-C4' energy: -117.359
flat angles P-C4'-P energy: -74.187
tors. eta vs tors. theta energy: -100.218
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: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1400.574495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.574495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.574495 (E_RNA)
where:
Base-Base interactions energy: -912.300
where: short stacking energy: -398.090
Base-Backbone interact. energy: 1.312
local terms energy: -489.585992
where:
bonds (distance) C4'-P energy: -99.349
bonds (distance) P-C4' energy: -123.023
flat angles C4'-P-C4' energy: -91.846
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -97.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1167.431459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.431459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.431459 (E_RNA)
where:
Base-Base interactions energy: -749.719
where: short stacking energy: -345.996
Base-Backbone interact. energy: 2.545
local terms energy: -420.257462
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -94.394
flat angles C4'-P-C4' energy: -97.163
flat angles P-C4'-P energy: -64.993
tors. eta vs tors. theta energy: -72.811
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -910.844720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.844720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.844720 (E_RNA)
where:
Base-Base interactions energy: -528.800
where: short stacking energy: -274.915
Base-Backbone interact. energy: -5.013
local terms energy: -377.032264
where:
bonds (distance) C4'-P energy: -109.983
bonds (distance) P-C4' energy: -89.998
flat angles C4'-P-C4' energy: -91.624
flat angles P-C4'-P energy: -45.720
tors. eta vs tors. theta energy: -39.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -680.148903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.148903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.148903 (E_RNA)
where:
Base-Base interactions energy: -347.983
where: short stacking energy: -194.533
Base-Backbone interact. energy: 4.930
local terms energy: -337.096035
where:
bonds (distance) C4'-P energy: -88.590
bonds (distance) P-C4' energy: -86.802
flat angles C4'-P-C4' energy: -94.112
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2129.762081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.762081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.762081 (E_RNA)
where:
Base-Base interactions energy: -1468.587
where: short stacking energy: -597.996
Base-Backbone interact. energy: -7.154
local terms energy: -654.020940
where:
bonds (distance) C4'-P energy: -122.904
bonds (distance) P-C4' energy: -121.680
flat angles C4'-P-C4' energy: -131.335
flat angles P-C4'-P energy: -97.722
tors. eta vs tors. theta energy: -180.380
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: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1978.760882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.760882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.760882 (E_RNA)
where:
Base-Base interactions energy: -1378.611
where: short stacking energy: -559.369
Base-Backbone interact. energy: 0.327
local terms energy: -600.477073
where:
bonds (distance) C4'-P energy: -118.562
bonds (distance) P-C4' energy: -124.603
flat angles C4'-P-C4' energy: -131.005
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: -160.020
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1942.310386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.310386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.310386 (E_RNA)
where:
Base-Base interactions energy: -1334.964
where: short stacking energy: -558.829
Base-Backbone interact. energy: -5.384
local terms energy: -601.961803
where:
bonds (distance) C4'-P energy: -109.915
bonds (distance) P-C4' energy: -103.196
flat angles C4'-P-C4' energy: -140.262
flat angles P-C4'-P energy: -80.440
tors. eta vs tors. theta energy: -168.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1776.069091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.069091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.069091 (E_RNA)
where:
Base-Base interactions energy: -1214.433
where: short stacking energy: -489.415
Base-Backbone interact. energy: -7.341
local terms energy: -554.294982
where:
bonds (distance) C4'-P energy: -110.094
bonds (distance) P-C4' energy: -110.770
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -77.035
tors. eta vs tors. theta energy: -141.391
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1553.769297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.769297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.769297 (E_RNA)
where:
Base-Base interactions energy: -1041.471
where: short stacking energy: -443.772
Base-Backbone interact. energy: -1.695
local terms energy: -510.602991
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -99.586
flat angles C4'-P-C4' energy: -117.151
flat angles P-C4'-P energy: -76.578
tors. eta vs tors. theta energy: -115.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1500.112777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.112777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.112777 (E_RNA)
where:
Base-Base interactions energy: -1006.455
where: short stacking energy: -424.707
Base-Backbone interact. energy: -0.485
local terms energy: -493.172505
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -90.642
flat angles C4'-P-C4' energy: -117.151
flat angles P-C4'-P energy: -71.866
tors. eta vs tors. theta energy: -109.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1347.169590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.169590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.169590 (E_RNA)
where:
Base-Base interactions energy: -883.912
where: short stacking energy: -371.747
Base-Backbone interact. energy: -1.124
local terms energy: -462.133108
where:
bonds (distance) C4'-P energy: -106.463
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -104.612
flat angles P-C4'-P energy: -69.137
tors. eta vs tors. theta energy: -81.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1188.730841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.730841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.730841 (E_RNA)
where:
Base-Base interactions energy: -768.132
where: short stacking energy: -339.897
Base-Backbone interact. energy: -0.881
local terms energy: -419.717372
where:
bonds (distance) C4'-P energy: -114.687
bonds (distance) P-C4' energy: -90.991
flat angles C4'-P-C4' energy: -79.689
flat angles P-C4'-P energy: -65.501
tors. eta vs tors. theta energy: -68.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -887.665339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.665339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.665339 (E_RNA)
where:
Base-Base interactions energy: -525.116
where: short stacking energy: -278.161
Base-Backbone interact. energy: -1.558
local terms energy: -360.991832
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -106.844
flat angles P-C4'-P energy: -49.976
tors. eta vs tors. theta energy: -31.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -700.649864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.649864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.649864 (E_RNA)
where:
Base-Base interactions energy: -372.436
where: short stacking energy: -187.670
Base-Backbone interact. energy: 13.732
local terms energy: -341.946525
where:
bonds (distance) C4'-P energy: -98.768
bonds (distance) P-C4' energy: -95.460
flat angles C4'-P-C4' energy: -82.217
flat angles P-C4'-P energy: -57.580
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2109.963568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.963568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.963568 (E_RNA)
where:
Base-Base interactions energy: -1474.325
where: short stacking energy: -589.286
Base-Backbone interact. energy: -3.805
local terms energy: -631.833361
where:
bonds (distance) C4'-P energy: -120.736
bonds (distance) P-C4' energy: -119.978
flat angles C4'-P-C4' energy: -129.641
flat angles P-C4'-P energy: -77.593
tors. eta vs tors. theta energy: -183.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1952.838705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.838705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.838705 (E_RNA)
where:
Base-Base interactions energy: -1345.986
where: short stacking energy: -537.502
Base-Backbone interact. energy: -3.033
local terms energy: -603.820055
where:
bonds (distance) C4'-P energy: -114.267
bonds (distance) P-C4' energy: -109.096
flat angles C4'-P-C4' energy: -131.824
flat angles P-C4'-P energy: -90.302
tors. eta vs tors. theta energy: -158.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1938.371105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.371105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.371105 (E_RNA)
where:
Base-Base interactions energy: -1350.664
where: short stacking energy: -533.480
Base-Backbone interact. energy: -3.163
local terms energy: -584.544411
where:
bonds (distance) C4'-P energy: -116.749
bonds (distance) P-C4' energy: -104.373
flat angles C4'-P-C4' energy: -122.443
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -162.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1793.712749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.712749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.712749 (E_RNA)
where:
Base-Base interactions energy: -1250.482
where: short stacking energy: -501.770
Base-Backbone interact. energy: 4.830
local terms energy: -548.060843
where:
bonds (distance) C4'-P energy: -90.428
bonds (distance) P-C4' energy: -115.989
flat angles C4'-P-C4' energy: -134.282
flat angles P-C4'-P energy: -80.657
tors. eta vs tors. theta energy: -126.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1609.949964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.949964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.949964 (E_RNA)
where:
Base-Base interactions energy: -1104.127
where: short stacking energy: -480.197
Base-Backbone interact. energy: 0.778
local terms energy: -506.601219
where:
bonds (distance) C4'-P energy: -88.741
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -117.004
flat angles P-C4'-P energy: -71.778
tors. eta vs tors. theta energy: -122.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1513.198063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.198063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.198063 (E_RNA)
where:
Base-Base interactions energy: -978.425
where: short stacking energy: -407.688
Base-Backbone interact. energy: -1.010
local terms energy: -533.763094
where:
bonds (distance) C4'-P energy: -105.571
bonds (distance) P-C4' energy: -120.704
flat angles C4'-P-C4' energy: -125.050
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -114.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1337.527114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.527114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.527114 (E_RNA)
where:
Base-Base interactions energy: -864.996
where: short stacking energy: -367.417
Base-Backbone interact. energy: -0.450
local terms energy: -472.080927
where:
bonds (distance) C4'-P energy: -91.670
bonds (distance) P-C4' energy: -110.108
flat angles C4'-P-C4' energy: -106.033
flat angles P-C4'-P energy: -77.399
tors. eta vs tors. theta energy: -86.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1211.009321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.009321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.009321 (E_RNA)
where:
Base-Base interactions energy: -780.622
where: short stacking energy: -353.530
Base-Backbone interact. energy: 2.728
local terms energy: -433.115650
where:
bonds (distance) C4'-P energy: -96.403
bonds (distance) P-C4' energy: -102.856
flat angles C4'-P-C4' energy: -93.774
flat angles P-C4'-P energy: -66.100
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -876.449769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.449769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.449769 (E_RNA)
where:
Base-Base interactions energy: -512.284
where: short stacking energy: -217.600
Base-Backbone interact. energy: -1.740
local terms energy: -362.425529
where:
bonds (distance) C4'-P energy: -96.301
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -91.911
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -29.320
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: 187
Temperature: 1.350000
Total energy: -675.266400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.266400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.266400 (E_RNA)
where:
Base-Base interactions energy: -339.639
where: short stacking energy: -196.894
Base-Backbone interact. energy: 0.611
local terms energy: -336.237968
where:
bonds (distance) C4'-P energy: -101.065
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -80.901
flat angles P-C4'-P energy: -56.632
tors. eta vs tors. theta energy: -24.855
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: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2124.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.624564 (E_RNA)
where:
Base-Base interactions energy: -1500.942
where: short stacking energy: -603.843
Base-Backbone interact. energy: -3.053
local terms energy: -620.629518
where:
bonds (distance) C4'-P energy: -104.492
bonds (distance) P-C4' energy: -124.098
flat angles C4'-P-C4' energy: -125.587
flat angles P-C4'-P energy: -89.875
tors. eta vs tors. theta energy: -176.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1921.624707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.624707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.624707 (E_RNA)
where:
Base-Base interactions energy: -1330.379
where: short stacking energy: -534.981
Base-Backbone interact. energy: -4.988
local terms energy: -586.258210
where:
bonds (distance) C4'-P energy: -109.092
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -121.017
flat angles P-C4'-P energy: -84.779
tors. eta vs tors. theta energy: -157.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1899.091666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.091666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.091666 (E_RNA)
where:
Base-Base interactions energy: -1325.686
where: short stacking energy: -543.783
Base-Backbone interact. energy: -2.180
local terms energy: -571.225536
where:
bonds (distance) C4'-P energy: -93.331
bonds (distance) P-C4' energy: -106.383
flat angles C4'-P-C4' energy: -124.567
flat angles P-C4'-P energy: -84.619
tors. eta vs tors. theta energy: -162.325
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: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1800.062322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.062322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.062322 (E_RNA)
where:
Base-Base interactions energy: -1256.709
where: short stacking energy: -493.899
Base-Backbone interact. energy: -3.987
local terms energy: -539.366237
where:
bonds (distance) C4'-P energy: -113.728
bonds (distance) P-C4' energy: -104.825
flat angles C4'-P-C4' energy: -112.719
flat angles P-C4'-P energy: -74.334
tors. eta vs tors. theta energy: -133.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1531.990277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.990277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.990277 (E_RNA)
where:
Base-Base interactions energy: -1013.776
where: short stacking energy: -433.700
Base-Backbone interact. energy: -3.956
local terms energy: -514.258505
where:
bonds (distance) C4'-P energy: -94.908
bonds (distance) P-C4' energy: -119.256
flat angles C4'-P-C4' energy: -114.017
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -103.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1511.283725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.283725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.283725 (E_RNA)
where:
Base-Base interactions energy: -1041.869
where: short stacking energy: -429.406
Base-Backbone interact. energy: 2.124
local terms energy: -471.539296
where:
bonds (distance) C4'-P energy: -104.051
bonds (distance) P-C4' energy: -91.852
flat angles C4'-P-C4' energy: -101.429
flat angles P-C4'-P energy: -74.990
tors. eta vs tors. theta energy: -99.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1350.264449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.264449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.264449 (E_RNA)
where:
Base-Base interactions energy: -900.601
where: short stacking energy: -381.513
Base-Backbone interact. energy: -1.882
local terms energy: -447.781983
where:
bonds (distance) C4'-P energy: -99.339
bonds (distance) P-C4' energy: -99.714
flat angles C4'-P-C4' energy: -105.006
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -74.043
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: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1208.145901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.145901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.145901 (E_RNA)
where:
Base-Base interactions energy: -762.827
where: short stacking energy: -346.043
Base-Backbone interact. energy: -1.607
local terms energy: -443.712225
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -107.831
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -75.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -882.367517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.367517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.367517 (E_RNA)
where:
Base-Base interactions energy: -532.782
where: short stacking energy: -267.815
Base-Backbone interact. energy: 1.694
local terms energy: -351.279070
where:
bonds (distance) C4'-P energy: -90.910
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -99.891
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -18.623
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: 188
Temperature: 1.350000
Total energy: -673.151787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.151787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.151787 (E_RNA)
where:
Base-Base interactions energy: -333.627
where: short stacking energy: -181.070
Base-Backbone interact. energy: -0.870
local terms energy: -338.655105
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -109.930
flat angles C4'-P-C4' energy: -88.057
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2131.920751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.920751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.920751 (E_RNA)
where:
Base-Base interactions energy: -1500.078
where: short stacking energy: -610.273
Base-Backbone interact. energy: 0.053
local terms energy: -631.896095
where:
bonds (distance) C4'-P energy: -113.702
bonds (distance) P-C4' energy: -116.443
flat angles C4'-P-C4' energy: -130.510
flat angles P-C4'-P energy: -91.386
tors. eta vs tors. theta energy: -179.855
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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1970.044827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.044827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.044827 (E_RNA)
where:
Base-Base interactions energy: -1362.903
where: short stacking energy: -540.684
Base-Backbone interact. energy: -1.685
local terms energy: -605.456794
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -131.467
flat angles P-C4'-P energy: -85.514
tors. eta vs tors. theta energy: -155.375
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: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1868.212006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.212006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.212006 (E_RNA)
where:
Base-Base interactions energy: -1291.306
where: short stacking energy: -509.696
Base-Backbone interact. energy: -3.512
local terms energy: -573.393807
where:
bonds (distance) C4'-P energy: -113.232
bonds (distance) P-C4' energy: -114.195
flat angles C4'-P-C4' energy: -119.766
flat angles P-C4'-P energy: -79.111
tors. eta vs tors. theta energy: -147.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1787.404052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.404052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.404052 (E_RNA)
where:
Base-Base interactions energy: -1237.319
where: short stacking energy: -501.014
Base-Backbone interact. energy: 2.287
local terms energy: -552.371821
where:
bonds (distance) C4'-P energy: -108.435
bonds (distance) P-C4' energy: -103.427
flat angles C4'-P-C4' energy: -121.122
flat angles P-C4'-P energy: -83.902
tors. eta vs tors. theta energy: -135.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1590.119209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.119209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.119209 (E_RNA)
where:
Base-Base interactions energy: -1086.697
where: short stacking energy: -460.493
Base-Backbone interact. energy: -2.390
local terms energy: -501.031580
where:
bonds (distance) C4'-P energy: -102.372
bonds (distance) P-C4' energy: -90.751
flat angles C4'-P-C4' energy: -110.422
flat angles P-C4'-P energy: -75.930
tors. eta vs tors. theta energy: -121.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1527.634411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.634411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.634411 (E_RNA)
where:
Base-Base interactions energy: -1015.574
where: short stacking energy: -430.987
Base-Backbone interact. energy: -4.412
local terms energy: -507.648506
where:
bonds (distance) C4'-P energy: -100.203
bonds (distance) P-C4' energy: -106.354
flat angles C4'-P-C4' energy: -113.760
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -114.238
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: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1325.805337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.805337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.805337 (E_RNA)
where:
Base-Base interactions energy: -880.840
where: short stacking energy: -391.529
Base-Backbone interact. energy: -0.670
local terms energy: -444.295817
where:
bonds (distance) C4'-P energy: -93.769
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -88.190
flat angles P-C4'-P energy: -75.661
tors. eta vs tors. theta energy: -95.857
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: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1280.531236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.531236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.531236 (E_RNA)
where:
Base-Base interactions energy: -811.979
where: short stacking energy: -340.566
Base-Backbone interact. energy: -1.495
local terms energy: -467.057626
where:
bonds (distance) C4'-P energy: -107.529
bonds (distance) P-C4' energy: -107.913
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -70.644
tors. eta vs tors. theta energy: -76.107
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -900.322062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.322062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.322062 (E_RNA)
where:
Base-Base interactions energy: -524.750
where: short stacking energy: -272.537
Base-Backbone interact. energy: 2.197
local terms energy: -377.769880
where:
bonds (distance) C4'-P energy: -97.401
bonds (distance) P-C4' energy: -84.063
flat angles C4'-P-C4' energy: -102.332
flat angles P-C4'-P energy: -58.459
tors. eta vs tors. theta energy: -35.515
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: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -576.296208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.296208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.296208 (E_RNA)
where:
Base-Base interactions energy: -247.467
where: short stacking energy: -160.345
Base-Backbone interact. energy: 0.257
local terms energy: -329.085517
where:
bonds (distance) C4'-P energy: -91.573
bonds (distance) P-C4' energy: -84.888
flat angles C4'-P-C4' energy: -97.828
flat angles P-C4'-P energy: -48.480
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2109.691807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.691807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.691807 (E_RNA)
where:
Base-Base interactions energy: -1466.368
where: short stacking energy: -582.227
Base-Backbone interact. energy: -5.645
local terms energy: -637.678493
where:
bonds (distance) C4'-P energy: -116.273
bonds (distance) P-C4' energy: -121.857
flat angles C4'-P-C4' energy: -130.612
flat angles P-C4'-P energy: -96.629
tors. eta vs tors. theta energy: -172.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1950.314199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.314199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.314199 (E_RNA)
where:
Base-Base interactions energy: -1385.347
where: short stacking energy: -543.444
Base-Backbone interact. energy: -1.518
local terms energy: -563.449544
where:
bonds (distance) C4'-P energy: -105.902
bonds (distance) P-C4' energy: -99.876
flat angles C4'-P-C4' energy: -126.458
flat angles P-C4'-P energy: -85.435
tors. eta vs tors. theta energy: -145.778
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: 190
Temperature: 1.000000
Total energy: -1948.642021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.642021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.642021 (E_RNA)
where:
Base-Base interactions energy: -1343.378
where: short stacking energy: -551.042
Base-Backbone interact. energy: -7.411
local terms energy: -597.852277
where:
bonds (distance) C4'-P energy: -114.105
bonds (distance) P-C4' energy: -93.069
flat angles C4'-P-C4' energy: -120.170
flat angles P-C4'-P energy: -100.091
tors. eta vs tors. theta energy: -170.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1793.372477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.372477 (E_RNA)
where:
Base-Base interactions energy: -1232.419
where: short stacking energy: -524.860
Base-Backbone interact. energy: -3.665
local terms energy: -557.288405
where:
bonds (distance) C4'-P energy: -108.760
bonds (distance) P-C4' energy: -105.130
flat angles C4'-P-C4' energy: -124.181
flat angles P-C4'-P energy: -76.148
tors. eta vs tors. theta energy: -143.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1597.162713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.162713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.162713 (E_RNA)
where:
Base-Base interactions energy: -1054.409
where: short stacking energy: -462.177
Base-Backbone interact. energy: 4.501
local terms energy: -547.254170
where:
bonds (distance) C4'-P energy: -104.661
bonds (distance) P-C4' energy: -98.743
flat angles C4'-P-C4' energy: -124.313
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -128.808
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: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1534.402401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.402401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.402401 (E_RNA)
where:
Base-Base interactions energy: -1022.055
where: short stacking energy: -432.297
Base-Backbone interact. energy: 4.232
local terms energy: -516.579723
where:
bonds (distance) C4'-P energy: -105.925
bonds (distance) P-C4' energy: -116.971
flat angles C4'-P-C4' energy: -110.173
flat angles P-C4'-P energy: -72.145
tors. eta vs tors. theta energy: -111.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1338.854630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.854630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.854630 (E_RNA)
where:
Base-Base interactions energy: -884.043
where: short stacking energy: -403.586
Base-Backbone interact. energy: 3.148
local terms energy: -457.960469
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -101.532
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -86.294
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: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1259.953021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.953021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.953021 (E_RNA)
where:
Base-Base interactions energy: -810.379
where: short stacking energy: -356.237
Base-Backbone interact. energy: 0.288
local terms energy: -449.861293
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -112.088
flat angles C4'-P-C4' energy: -99.047
flat angles P-C4'-P energy: -60.706
tors. eta vs tors. theta energy: -79.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -914.498217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.498217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.498217 (E_RNA)
where:
Base-Base interactions energy: -535.127
where: short stacking energy: -269.644
Base-Backbone interact. energy: 1.098
local terms energy: -380.469410
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -80.065
flat angles P-C4'-P energy: -49.951
tors. eta vs tors. theta energy: -47.001
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: 190
Temperature: 1.350000
Total energy: -614.605473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.605473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.605473 (E_RNA)
where:
Base-Base interactions energy: -306.456
where: short stacking energy: -167.106
Base-Backbone interact. energy: 0.313
local terms energy: -308.462909
where:
bonds (distance) C4'-P energy: -88.605
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -85.995
flat angles P-C4'-P energy: -47.606
tors. eta vs tors. theta energy: 4.416
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: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2112.709570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.709570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.709570 (E_RNA)
where:
Base-Base interactions energy: -1473.072
where: short stacking energy: -571.425
Base-Backbone interact. energy: -4.961
local terms energy: -634.676907
where:
bonds (distance) C4'-P energy: -116.891
bonds (distance) P-C4' energy: -121.154
flat angles C4'-P-C4' energy: -126.637
flat angles P-C4'-P energy: -97.729
tors. eta vs tors. theta energy: -172.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1977.692739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.692739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.692739 (E_RNA)
where:
Base-Base interactions energy: -1379.974
where: short stacking energy: -554.865
Base-Backbone interact. energy: -4.946
local terms energy: -592.773034
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -122.204
flat angles C4'-P-C4' energy: -120.116
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -156.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1908.018417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.018417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.018417 (E_RNA)
where:
Base-Base interactions energy: -1328.225
where: short stacking energy: -536.140
Base-Backbone interact. energy: -4.382
local terms energy: -575.411019
where:
bonds (distance) C4'-P energy: -107.513
bonds (distance) P-C4' energy: -110.319
flat angles C4'-P-C4' energy: -125.646
flat angles P-C4'-P energy: -88.758
tors. eta vs tors. theta energy: -143.175
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: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1809.554891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.554891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.554891 (E_RNA)
where:
Base-Base interactions energy: -1252.167
where: short stacking energy: -484.229
Base-Backbone interact. energy: 0.458
local terms energy: -557.845967
where:
bonds (distance) C4'-P energy: -113.721
bonds (distance) P-C4' energy: -106.299
flat angles C4'-P-C4' energy: -117.139
flat angles P-C4'-P energy: -84.362
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: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1616.896062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.896062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.896062 (E_RNA)
where:
Base-Base interactions energy: -1090.500
where: short stacking energy: -459.314
Base-Backbone interact. energy: -2.798
local terms energy: -523.598032
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -110.071
flat angles P-C4'-P energy: -84.576
tors. eta vs tors. theta energy: -114.788
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: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1538.872268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.872268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.872268 (E_RNA)
where:
Base-Base interactions energy: -1018.539
where: short stacking energy: -433.391
Base-Backbone interact. energy: -3.204
local terms energy: -517.130053
where:
bonds (distance) C4'-P energy: -106.850
bonds (distance) P-C4' energy: -111.694
flat angles C4'-P-C4' energy: -119.175
flat angles P-C4'-P energy: -67.245
tors. eta vs tors. theta energy: -112.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1338.295384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.295384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.295384 (E_RNA)
where:
Base-Base interactions energy: -855.013
where: short stacking energy: -388.516
Base-Backbone interact. energy: 1.023
local terms energy: -484.305085
where:
bonds (distance) C4'-P energy: -102.991
bonds (distance) P-C4' energy: -103.627
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -67.380
tors. eta vs tors. theta energy: -99.854
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: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1262.360470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.360470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.360470 (E_RNA)
where:
Base-Base interactions energy: -821.988
where: short stacking energy: -343.032
Base-Backbone interact. energy: 2.944
local terms energy: -443.316775
where:
bonds (distance) C4'-P energy: -105.519
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -104.917
flat angles P-C4'-P energy: -70.928
tors. eta vs tors. theta energy: -68.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -887.187439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.187439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.187439 (E_RNA)
where:
Base-Base interactions energy: -536.943
where: short stacking energy: -265.374
Base-Backbone interact. energy: 5.045
local terms energy: -355.289108
where:
bonds (distance) C4'-P energy: -94.412
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -46.466
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -629.912277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.912277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.912277 (E_RNA)
where:
Base-Base interactions energy: -330.679
where: short stacking energy: -185.952
Base-Backbone interact. energy: 0.754
local terms energy: -299.987187
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -105.211
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: 2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2123.424312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.424312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.424312 (E_RNA)
where:
Base-Base interactions energy: -1500.508
where: short stacking energy: -588.491
Base-Backbone interact. energy: 0.003
local terms energy: -622.920063
where:
bonds (distance) C4'-P energy: -115.637
bonds (distance) P-C4' energy: -112.951
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -173.152
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: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1988.337423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.337423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.337423 (E_RNA)
where:
Base-Base interactions energy: -1389.197
where: short stacking energy: -579.542
Base-Backbone interact. energy: -2.120
local terms energy: -597.019916
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -106.173
flat angles C4'-P-C4' energy: -126.145
flat angles P-C4'-P energy: -92.047
tors. eta vs tors. theta energy: -168.409
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: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1908.869410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.869410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.869410 (E_RNA)
where:
Base-Base interactions energy: -1323.653
where: short stacking energy: -562.566
Base-Backbone interact. energy: -3.291
local terms energy: -581.925418
where:
bonds (distance) C4'-P energy: -121.062
bonds (distance) P-C4' energy: -104.996
flat angles C4'-P-C4' energy: -121.301
flat angles P-C4'-P energy: -79.639
tors. eta vs tors. theta energy: -154.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1786.707418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.707418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.707418 (E_RNA)
where:
Base-Base interactions energy: -1252.138
where: short stacking energy: -501.464
Base-Backbone interact. energy: -4.724
local terms energy: -529.845326
where:
bonds (distance) C4'-P energy: -97.433
bonds (distance) P-C4' energy: -110.126
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -71.979
tors. eta vs tors. theta energy: -133.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1582.727037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.727037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.727037 (E_RNA)
where:
Base-Base interactions energy: -1037.891
where: short stacking energy: -434.642
Base-Backbone interact. energy: -0.551
local terms energy: -544.285743
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -116.436
flat angles C4'-P-C4' energy: -118.020
flat angles P-C4'-P energy: -87.498
tors. eta vs tors. theta energy: -111.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1493.325992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.325992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.325992 (E_RNA)
where:
Base-Base interactions energy: -1020.557
where: short stacking energy: -444.209
Base-Backbone interact. energy: -3.346
local terms energy: -469.422899
where:
bonds (distance) C4'-P energy: -86.498
bonds (distance) P-C4' energy: -100.545
flat angles C4'-P-C4' energy: -107.827
flat angles P-C4'-P energy: -64.222
tors. eta vs tors. theta energy: -110.330
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: 192
Temperature: 1.200000
Total energy: -1332.802390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.802390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.802390 (E_RNA)
where:
Base-Base interactions energy: -887.782
where: short stacking energy: -387.270
Base-Backbone interact. energy: -1.851
local terms energy: -443.169627
where:
bonds (distance) C4'-P energy: -102.323
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -95.389
flat angles P-C4'-P energy: -76.274
tors. eta vs tors. theta energy: -83.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1286.416626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.416626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.416626 (E_RNA)
where:
Base-Base interactions energy: -832.563
where: short stacking energy: -355.185
Base-Backbone interact. energy: 3.337
local terms energy: -457.191250
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -114.571
flat angles P-C4'-P energy: -86.598
tors. eta vs tors. theta energy: -69.280
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -921.207178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.207178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.207178 (E_RNA)
where:
Base-Base interactions energy: -550.827
where: short stacking energy: -288.105
Base-Backbone interact. energy: -0.360
local terms energy: -370.019924
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -96.507
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -56.948
tors. eta vs tors. theta energy: -39.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -515.305197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.305197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.305197 (E_RNA)
where:
Base-Base interactions energy: -224.925
where: short stacking energy: -150.871
Base-Backbone interact. energy: 1.678
local terms energy: -292.058003
where:
bonds (distance) C4'-P energy: -67.539
bonds (distance) P-C4' energy: -91.394
flat angles C4'-P-C4' energy: -98.361
flat angles P-C4'-P energy: -60.060
tors. eta vs tors. theta energy: 25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2106.945595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.945595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.945595 (E_RNA)
where:
Base-Base interactions energy: -1458.625
where: short stacking energy: -582.548
Base-Backbone interact. energy: -3.844
local terms energy: -644.476452
where:
bonds (distance) C4'-P energy: -132.947
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -129.147
flat angles P-C4'-P energy: -82.231
tors. eta vs tors. theta energy: -173.913
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1974.385967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.385967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.385967 (E_RNA)
where:
Base-Base interactions energy: -1394.797
where: short stacking energy: -554.500
Base-Backbone interact. energy: -1.936
local terms energy: -577.653075
where:
bonds (distance) C4'-P energy: -109.961
bonds (distance) P-C4' energy: -99.998
flat angles C4'-P-C4' energy: -121.463
flat angles P-C4'-P energy: -81.538
tors. eta vs tors. theta energy: -164.693
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: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1898.586768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.586768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.586768 (E_RNA)
where:
Base-Base interactions energy: -1328.340
where: short stacking energy: -554.075
Base-Backbone interact. energy: -4.485
local terms energy: -565.761335
where:
bonds (distance) C4'-P energy: -96.368
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -124.388
flat angles P-C4'-P energy: -85.745
tors. eta vs tors. theta energy: -155.314
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1824.506867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.506867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.506867 (E_RNA)
where:
Base-Base interactions energy: -1273.102
where: short stacking energy: -535.247
Base-Backbone interact. energy: 0.072
local terms energy: -551.476800
where:
bonds (distance) C4'-P energy: -92.845
bonds (distance) P-C4' energy: -111.846
flat angles C4'-P-C4' energy: -119.259
flat angles P-C4'-P energy: -80.937
tors. eta vs tors. theta energy: -146.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1572.463600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.463600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.463600 (E_RNA)
where:
Base-Base interactions energy: -1023.720
where: short stacking energy: -438.181
Base-Backbone interact. energy: -2.282
local terms energy: -546.461840
where:
bonds (distance) C4'-P energy: -112.805
bonds (distance) P-C4' energy: -115.505
flat angles C4'-P-C4' energy: -108.551
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -120.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1513.041117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.041117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.041117 (E_RNA)
where:
Base-Base interactions energy: -1018.395
where: short stacking energy: -431.058
Base-Backbone interact. energy: 4.083
local terms energy: -498.728958
where:
bonds (distance) C4'-P energy: -100.153
bonds (distance) P-C4' energy: -98.559
flat angles C4'-P-C4' energy: -108.322
flat angles P-C4'-P energy: -74.781
tors. eta vs tors. theta energy: -116.916
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1307.151890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.151890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.151890 (E_RNA)
where:
Base-Base interactions energy: -878.600
where: short stacking energy: -400.366
Base-Backbone interact. energy: 1.197
local terms energy: -429.748366
where:
bonds (distance) C4'-P energy: -101.053
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -103.645
flat angles P-C4'-P energy: -58.427
tors. eta vs tors. theta energy: -77.445
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: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1219.185962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.185962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.185962 (E_RNA)
where:
Base-Base interactions energy: -803.059
where: short stacking energy: -346.398
Base-Backbone interact. energy: 1.588
local terms energy: -417.715097
where:
bonds (distance) C4'-P energy: -102.679
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -93.696
flat angles P-C4'-P energy: -52.945
tors. eta vs tors. theta energy: -55.606
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -973.105888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.105888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.105888 (E_RNA)
where:
Base-Base interactions energy: -583.577
where: short stacking energy: -291.443
Base-Backbone interact. energy: 4.011
local terms energy: -393.540222
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -100.255
flat angles C4'-P-C4' energy: -80.618
flat angles P-C4'-P energy: -57.575
tors. eta vs tors. theta energy: -44.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -546.288367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.288367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.288367 (E_RNA)
where:
Base-Base interactions energy: -250.556
where: short stacking energy: -160.412
Base-Backbone interact. energy: -3.763
local terms energy: -291.968923
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -106.065
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: 14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2124.408590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.408590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.408590 (E_RNA)
where:
Base-Base interactions energy: -1490.943
where: short stacking energy: -602.941
Base-Backbone interact. energy: -4.435
local terms energy: -629.031008
where:
bonds (distance) C4'-P energy: -122.781
bonds (distance) P-C4' energy: -109.399
flat angles C4'-P-C4' energy: -127.689
flat angles P-C4'-P energy: -94.178
tors. eta vs tors. theta energy: -174.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2004.083205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.083205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.083205 (E_RNA)
where:
Base-Base interactions energy: -1385.533
where: short stacking energy: -552.687
Base-Backbone interact. energy: 2.451
local terms energy: -621.000905
where:
bonds (distance) C4'-P energy: -112.884
bonds (distance) P-C4' energy: -121.829
flat angles C4'-P-C4' energy: -131.364
flat angles P-C4'-P energy: -93.983
tors. eta vs tors. theta energy: -160.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1915.758747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.758747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.758747 (E_RNA)
where:
Base-Base interactions energy: -1338.538
where: short stacking energy: -557.044
Base-Backbone interact. energy: 2.679
local terms energy: -579.898967
where:
bonds (distance) C4'-P energy: -114.308
bonds (distance) P-C4' energy: -112.111
flat angles C4'-P-C4' energy: -117.252
flat angles P-C4'-P energy: -70.721
tors. eta vs tors. theta energy: -165.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1794.825695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.825695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.825695 (E_RNA)
where:
Base-Base interactions energy: -1241.140
where: short stacking energy: -510.997
Base-Backbone interact. energy: -6.204
local terms energy: -547.481434
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -101.999
flat angles C4'-P-C4' energy: -109.346
flat angles P-C4'-P energy: -78.428
tors. eta vs tors. theta energy: -147.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1599.597489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.597489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.597489 (E_RNA)
where:
Base-Base interactions energy: -1059.969
where: short stacking energy: -463.503
Base-Backbone interact. energy: -1.938
local terms energy: -537.690973
where:
bonds (distance) C4'-P energy: -95.952
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -122.661
flat angles P-C4'-P energy: -74.585
tors. eta vs tors. theta energy: -136.960
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: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1509.413929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.413929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.413929 (E_RNA)
where:
Base-Base interactions energy: -1014.419
where: short stacking energy: -459.941
Base-Backbone interact. energy: 0.582
local terms energy: -495.576396
where:
bonds (distance) C4'-P energy: -90.183
bonds (distance) P-C4' energy: -104.938
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -134.955
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: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1367.320263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.320263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.320263 (E_RNA)
where:
Base-Base interactions energy: -901.023
where: short stacking energy: -397.902
Base-Backbone interact. energy: -4.392
local terms energy: -461.905720
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -79.473
flat angles C4'-P-C4' energy: -109.403
flat angles P-C4'-P energy: -79.224
tors. eta vs tors. theta energy: -91.259
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: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1247.890101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.890101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.890101 (E_RNA)
where:
Base-Base interactions energy: -821.278
where: short stacking energy: -351.454
Base-Backbone interact. energy: 2.015
local terms energy: -428.626583
where:
bonds (distance) C4'-P energy: -97.176
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -65.381
tors. eta vs tors. theta energy: -66.651
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: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -963.928577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.928577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.928577 (E_RNA)
where:
Base-Base interactions energy: -595.825
where: short stacking energy: -280.313
Base-Backbone interact. energy: -0.948
local terms energy: -367.155809
where:
bonds (distance) C4'-P energy: -100.952
bonds (distance) P-C4' energy: -92.900
flat angles C4'-P-C4' energy: -81.075
flat angles P-C4'-P energy: -57.604
tors. eta vs tors. theta energy: -34.625
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: 194
Temperature: 1.350000
Total energy: -536.461132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.461132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.461132 (E_RNA)
where:
Base-Base interactions energy: -229.473
where: short stacking energy: -153.974
Base-Backbone interact. energy: 0.560
local terms energy: -307.548792
where:
bonds (distance) C4'-P energy: -102.468
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -69.840
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: 11.690
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: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2113.359808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.359808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.359808 (E_RNA)
where:
Base-Base interactions energy: -1498.398
where: short stacking energy: -576.450
Base-Backbone interact. energy: 3.851
local terms energy: -618.812698
where:
bonds (distance) C4'-P energy: -125.597
bonds (distance) P-C4' energy: -108.326
flat angles C4'-P-C4' energy: -127.309
flat angles P-C4'-P energy: -93.547
tors. eta vs tors. theta energy: -164.033
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: 195
Temperature: 0.950000
Total energy: -1981.460948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.460948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.460948 (E_RNA)
where:
Base-Base interactions energy: -1380.975
where: short stacking energy: -552.076
Base-Backbone interact. energy: 1.498
local terms energy: -601.983970
where:
bonds (distance) C4'-P energy: -116.804
bonds (distance) P-C4' energy: -112.177
flat angles C4'-P-C4' energy: -122.095
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -163.419
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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1906.211956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.211956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.211956 (E_RNA)
where:
Base-Base interactions energy: -1306.323
where: short stacking energy: -555.630
Base-Backbone interact. energy: -0.171
local terms energy: -599.717631
where:
bonds (distance) C4'-P energy: -107.399
bonds (distance) P-C4' energy: -107.911
flat angles C4'-P-C4' energy: -126.905
flat angles P-C4'-P energy: -91.835
tors. eta vs tors. theta energy: -165.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1749.972824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.972824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.972824 (E_RNA)
where:
Base-Base interactions energy: -1192.508
where: short stacking energy: -494.692
Base-Backbone interact. energy: 1.391
local terms energy: -558.856002
where:
bonds (distance) C4'-P energy: -101.476
bonds (distance) P-C4' energy: -98.722
flat angles C4'-P-C4' energy: -132.784
flat angles P-C4'-P energy: -88.578
tors. eta vs tors. theta energy: -137.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1592.251408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.251408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.251408 (E_RNA)
where:
Base-Base interactions energy: -1079.267
where: short stacking energy: -440.954
Base-Backbone interact. energy: -0.363
local terms energy: -512.621632
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -113.330
flat angles P-C4'-P energy: -82.420
tors. eta vs tors. theta energy: -109.456
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1452.257994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.257994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.257994 (E_RNA)
where:
Base-Base interactions energy: -974.175
where: short stacking energy: -414.007
Base-Backbone interact. energy: -1.379
local terms energy: -476.703889
where:
bonds (distance) C4'-P energy: -91.885
bonds (distance) P-C4' energy: -100.558
flat angles C4'-P-C4' energy: -115.069
flat angles P-C4'-P energy: -73.411
tors. eta vs tors. theta energy: -95.781
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: 195
Temperature: 1.200000
Total energy: -1412.811057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.811057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.811057 (E_RNA)
where:
Base-Base interactions energy: -922.096
where: short stacking energy: -417.934
Base-Backbone interact. energy: -0.437
local terms energy: -490.277427
where:
bonds (distance) C4'-P energy: -101.685
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -106.623
flat angles P-C4'-P energy: -67.597
tors. eta vs tors. theta energy: -99.569
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: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1275.404132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.404132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.404132 (E_RNA)
where:
Base-Base interactions energy: -840.128
where: short stacking energy: -364.424
Base-Backbone interact. energy: -3.440
local terms energy: -431.835834
where:
bonds (distance) C4'-P energy: -101.181
bonds (distance) P-C4' energy: -94.668
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -54.671
tors. eta vs tors. theta energy: -76.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -973.151202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.151202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.151202 (E_RNA)
where:
Base-Base interactions energy: -558.618
where: short stacking energy: -277.782
Base-Backbone interact. energy: -3.253
local terms energy: -411.280221
where:
bonds (distance) C4'-P energy: -104.525
bonds (distance) P-C4' energy: -96.305
flat angles C4'-P-C4' energy: -106.482
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -46.989
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: 195
Temperature: 1.350000
Total energy: -541.951382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.951382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.951382 (E_RNA)
where:
Base-Base interactions energy: -233.360
where: short stacking energy: -171.180
Base-Backbone interact. energy: -1.938
local terms energy: -306.653666
where:
bonds (distance) C4'-P energy: -105.991
bonds (distance) P-C4' energy: -87.585
flat angles C4'-P-C4' energy: -88.471
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2112.224727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.224727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.224727 (E_RNA)
where:
Base-Base interactions energy: -1501.904
where: short stacking energy: -593.031
Base-Backbone interact. energy: -4.443
local terms energy: -605.878286
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -128.420
flat angles C4'-P-C4' energy: -115.083
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -166.275
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: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1991.825369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.825369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.825369 (E_RNA)
where:
Base-Base interactions energy: -1382.463
where: short stacking energy: -570.307
Base-Backbone interact. energy: -5.158
local terms energy: -604.203726
where:
bonds (distance) C4'-P energy: -96.270
bonds (distance) P-C4' energy: -116.085
flat angles C4'-P-C4' energy: -130.195
flat angles P-C4'-P energy: -92.638
tors. eta vs tors. theta energy: -169.016
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1899.712782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.712782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.712782 (E_RNA)
where:
Base-Base interactions energy: -1315.142
where: short stacking energy: -530.911
Base-Backbone interact. energy: -4.977
local terms energy: -579.593127
where:
bonds (distance) C4'-P energy: -106.675
bonds (distance) P-C4' energy: -115.352
flat angles C4'-P-C4' energy: -115.167
flat angles P-C4'-P energy: -86.640
tors. eta vs tors. theta energy: -155.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1798.151359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.151359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.151359 (E_RNA)
where:
Base-Base interactions energy: -1232.345
where: short stacking energy: -503.548
Base-Backbone interact. energy: -2.310
local terms energy: -563.496291
where:
bonds (distance) C4'-P energy: -113.338
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -118.672
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -151.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1531.760863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.760863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.760863 (E_RNA)
where:
Base-Base interactions energy: -1019.884
where: short stacking energy: -420.821
Base-Backbone interact. energy: -1.643
local terms energy: -510.233918
where:
bonds (distance) C4'-P energy: -103.016
bonds (distance) P-C4' energy: -99.444
flat angles C4'-P-C4' energy: -133.720
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: -98.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1441.110761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.110761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.110761 (E_RNA)
where:
Base-Base interactions energy: -958.709
where: short stacking energy: -427.107
Base-Backbone interact. energy: 0.152
local terms energy: -482.553970
where:
bonds (distance) C4'-P energy: -92.415
bonds (distance) P-C4' energy: -109.243
flat angles C4'-P-C4' energy: -108.729
flat angles P-C4'-P energy: -68.354
tors. eta vs tors. theta energy: -103.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1316.541498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.541498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.541498 (E_RNA)
where:
Base-Base interactions energy: -853.152
where: short stacking energy: -369.287
Base-Backbone interact. energy: -4.077
local terms energy: -459.313070
where:
bonds (distance) C4'-P energy: -94.004
bonds (distance) P-C4' energy: -104.139
flat angles C4'-P-C4' energy: -101.251
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -90.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1273.861630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.861630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.861630 (E_RNA)
where:
Base-Base interactions energy: -868.523
where: short stacking energy: -400.729
Base-Backbone interact. energy: -1.686
local terms energy: -403.653100
where:
bonds (distance) C4'-P energy: -74.974
bonds (distance) P-C4' energy: -89.273
flat angles C4'-P-C4' energy: -114.280
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -76.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -886.198537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.198537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.198537 (E_RNA)
where:
Base-Base interactions energy: -544.006
where: short stacking energy: -273.749
Base-Backbone interact. energy: 4.558
local terms energy: -346.750217
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -82.689
flat angles C4'-P-C4' energy: -103.095
flat angles P-C4'-P energy: -38.253
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -491.544541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.544541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.544541 (E_RNA)
where:
Base-Base interactions energy: -195.166
where: short stacking energy: -137.147
Base-Backbone interact. energy: 1.016
local terms energy: -297.395302
where:
bonds (distance) C4'-P energy: -83.552
bonds (distance) P-C4' energy: -100.284
flat angles C4'-P-C4' energy: -85.300
flat angles P-C4'-P energy: -44.058
tors. eta vs tors. theta energy: 15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2132.390258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.390258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.390258 (E_RNA)
where:
Base-Base interactions energy: -1509.385
where: short stacking energy: -585.997
Base-Backbone interact. energy: -1.548
local terms energy: -621.457330
where:
bonds (distance) C4'-P energy: -107.173
bonds (distance) P-C4' energy: -118.630
flat angles C4'-P-C4' energy: -131.547
flat angles P-C4'-P energy: -87.111
tors. eta vs tors. theta energy: -176.996
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: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1971.477146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.477146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.477146 (E_RNA)
where:
Base-Base interactions energy: -1368.067
where: short stacking energy: -557.507
Base-Backbone interact. energy: -0.101
local terms energy: -603.309681
where:
bonds (distance) C4'-P energy: -117.297
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -121.839
flat angles P-C4'-P energy: -88.190
tors. eta vs tors. theta energy: -158.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1923.675733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.675733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.675733 (E_RNA)
where:
Base-Base interactions energy: -1335.389
where: short stacking energy: -539.919
Base-Backbone interact. energy: 3.219
local terms energy: -591.506074
where:
bonds (distance) C4'-P energy: -112.118
bonds (distance) P-C4' energy: -122.489
flat angles C4'-P-C4' energy: -124.436
flat angles P-C4'-P energy: -75.517
tors. eta vs tors. theta energy: -156.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1817.865024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.865024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.865024 (E_RNA)
where:
Base-Base interactions energy: -1236.508
where: short stacking energy: -505.899
Base-Backbone interact. energy: -4.970
local terms energy: -576.386913
where:
bonds (distance) C4'-P energy: -115.977
bonds (distance) P-C4' energy: -122.001
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -65.723
tors. eta vs tors. theta energy: -149.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1559.135297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.135297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.135297 (E_RNA)
where:
Base-Base interactions energy: -1071.135
where: short stacking energy: -443.697
Base-Backbone interact. energy: 1.748
local terms energy: -489.748250
where:
bonds (distance) C4'-P energy: -95.738
bonds (distance) P-C4' energy: -102.856
flat angles C4'-P-C4' energy: -101.294
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -112.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1404.459264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.459264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.459264 (E_RNA)
where:
Base-Base interactions energy: -947.741
where: short stacking energy: -401.304
Base-Backbone interact. energy: -1.390
local terms energy: -455.328621
where:
bonds (distance) C4'-P energy: -87.973
bonds (distance) P-C4' energy: -95.998
flat angles C4'-P-C4' energy: -106.080
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -93.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1319.045367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.045367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.045367 (E_RNA)
where:
Base-Base interactions energy: -847.413
where: short stacking energy: -383.147
Base-Backbone interact. energy: -0.071
local terms energy: -471.560991
where:
bonds (distance) C4'-P energy: -92.629
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -108.123
flat angles P-C4'-P energy: -75.120
tors. eta vs tors. theta energy: -95.647
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: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1286.420068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.420068 (E_RNA)
where:
Base-Base interactions energy: -856.861
where: short stacking energy: -385.948
Base-Backbone interact. energy: 0.831
local terms energy: -430.389507
where:
bonds (distance) C4'-P energy: -87.792
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -96.662
flat angles P-C4'-P energy: -58.867
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -883.882365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.882365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.882365 (E_RNA)
where:
Base-Base interactions energy: -514.399
where: short stacking energy: -241.631
Base-Backbone interact. energy: 0.160
local terms energy: -369.643146
where:
bonds (distance) C4'-P energy: -88.445
bonds (distance) P-C4' energy: -98.300
flat angles C4'-P-C4' energy: -92.689
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -510.128591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.128591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.128591 (E_RNA)
where:
Base-Base interactions energy: -175.855
where: short stacking energy: -126.697
Base-Backbone interact. energy: -0.782
local terms energy: -333.491968
where:
bonds (distance) C4'-P energy: -93.792
bonds (distance) P-C4' energy: -104.798
flat angles C4'-P-C4' energy: -82.724
flat angles P-C4'-P energy: -50.403
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2096.015865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.015865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.015865 (E_RNA)
where:
Base-Base interactions energy: -1473.580
where: short stacking energy: -562.151
Base-Backbone interact. energy: -1.912
local terms energy: -620.524284
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -127.719
flat angles C4'-P-C4' energy: -136.296
flat angles P-C4'-P energy: -91.342
tors. eta vs tors. theta energy: -165.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1989.486537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.486537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.486537 (E_RNA)
where:
Base-Base interactions energy: -1391.190
where: short stacking energy: -573.723
Base-Backbone interact. energy: 0.765
local terms energy: -599.061696
where:
bonds (distance) C4'-P energy: -96.989
bonds (distance) P-C4' energy: -106.107
flat angles C4'-P-C4' energy: -127.437
flat angles P-C4'-P energy: -90.341
tors. eta vs tors. theta energy: -178.189
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: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1888.236594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.236594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.236594 (E_RNA)
where:
Base-Base interactions energy: -1318.500
where: short stacking energy: -552.835
Base-Backbone interact. energy: -3.811
local terms energy: -565.924744
where:
bonds (distance) C4'-P energy: -108.325
bonds (distance) P-C4' energy: -112.652
flat angles C4'-P-C4' energy: -112.584
flat angles P-C4'-P energy: -71.793
tors. eta vs tors. theta energy: -160.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1812.701723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.701723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.701723 (E_RNA)
where:
Base-Base interactions energy: -1249.734
where: short stacking energy: -513.196
Base-Backbone interact. energy: -2.436
local terms energy: -560.532324
where:
bonds (distance) C4'-P energy: -103.896
bonds (distance) P-C4' energy: -102.889
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -83.510
tors. eta vs tors. theta energy: -148.463
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1552.352274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.352274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.352274 (E_RNA)
where:
Base-Base interactions energy: -1035.383
where: short stacking energy: -461.236
Base-Backbone interact. energy: -0.250
local terms energy: -516.718769
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -122.115
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -119.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1384.107654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.107654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.107654 (E_RNA)
where:
Base-Base interactions energy: -936.953
where: short stacking energy: -386.569
Base-Backbone interact. energy: 0.166
local terms energy: -447.320962
where:
bonds (distance) C4'-P energy: -97.676
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -106.268
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -74.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1318.823395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.823395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.823395 (E_RNA)
where:
Base-Base interactions energy: -862.395
where: short stacking energy: -383.369
Base-Backbone interact. energy: -1.451
local terms energy: -454.977322
where:
bonds (distance) C4'-P energy: -84.214
bonds (distance) P-C4' energy: -99.491
flat angles C4'-P-C4' energy: -101.521
flat angles P-C4'-P energy: -74.902
tors. eta vs tors. theta energy: -94.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1291.117620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.117620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.117620 (E_RNA)
where:
Base-Base interactions energy: -839.728
where: short stacking energy: -381.942
Base-Backbone interact. energy: 0.611
local terms energy: -452.000351
where:
bonds (distance) C4'-P energy: -85.382
bonds (distance) P-C4' energy: -105.024
flat angles C4'-P-C4' energy: -99.424
flat angles P-C4'-P energy: -71.145
tors. eta vs tors. theta energy: -91.024
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: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -888.734764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.734764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.734764 (E_RNA)
where:
Base-Base interactions energy: -504.673
where: short stacking energy: -249.173
Base-Backbone interact. energy: -1.675
local terms energy: -382.386574
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -114.285
flat angles C4'-P-C4' energy: -92.417
flat angles P-C4'-P energy: -56.654
tors. eta vs tors. theta energy: -25.078
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: 198
Temperature: 1.350000
Total energy: -453.619106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.619106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.619106 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -118.289
Base-Backbone interact. energy: 3.550
local terms energy: -317.083745
where:
bonds (distance) C4'-P energy: -104.097
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -82.160
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: 13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2090.903940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.903940 (E_RNA)
where:
Base-Base interactions energy: -1492.123
where: short stacking energy: -591.198
Base-Backbone interact. energy: -4.699
local terms energy: -594.081886
where:
bonds (distance) C4'-P energy: -96.227
bonds (distance) P-C4' energy: -108.009
flat angles C4'-P-C4' energy: -130.110
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -175.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2006.019635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.019635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.019635 (E_RNA)
where:
Base-Base interactions energy: -1390.615
where: short stacking energy: -548.961
Base-Backbone interact. energy: -2.429
local terms energy: -612.975046
where:
bonds (distance) C4'-P energy: -129.059
bonds (distance) P-C4' energy: -103.483
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -84.779
tors. eta vs tors. theta energy: -168.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1887.490026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.490026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.490026 (E_RNA)
where:
Base-Base interactions energy: -1315.575
where: short stacking energy: -551.070
Base-Backbone interact. energy: -2.134
local terms energy: -569.781494
where:
bonds (distance) C4'-P energy: -93.827
bonds (distance) P-C4' energy: -115.981
flat angles C4'-P-C4' energy: -119.820
flat angles P-C4'-P energy: -79.414
tors. eta vs tors. theta energy: -160.739
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1815.866314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.866314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.866314 (E_RNA)
where:
Base-Base interactions energy: -1252.541
where: short stacking energy: -522.810
Base-Backbone interact. energy: 4.376
local terms energy: -567.701664
where:
bonds (distance) C4'-P energy: -102.091
bonds (distance) P-C4' energy: -116.999
flat angles C4'-P-C4' energy: -118.597
flat angles P-C4'-P energy: -82.466
tors. eta vs tors. theta energy: -147.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1616.298913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.298913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.298913 (E_RNA)
where:
Base-Base interactions energy: -1110.549
where: short stacking energy: -460.743
Base-Backbone interact. energy: 2.002
local terms energy: -507.751768
where:
bonds (distance) C4'-P energy: -88.531
bonds (distance) P-C4' energy: -101.446
flat angles C4'-P-C4' energy: -115.592
flat angles P-C4'-P energy: -77.396
tors. eta vs tors. theta energy: -124.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1391.267115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.267115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.267115 (E_RNA)
where:
Base-Base interactions energy: -902.393
where: short stacking energy: -409.271
Base-Backbone interact. energy: -1.500
local terms energy: -487.373766
where:
bonds (distance) C4'-P energy: -117.776
bonds (distance) P-C4' energy: -98.181
flat angles C4'-P-C4' energy: -103.941
flat angles P-C4'-P energy: -73.180
tors. eta vs tors. theta energy: -94.295
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: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1315.761823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.761823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.761823 (E_RNA)
where:
Base-Base interactions energy: -853.718
where: short stacking energy: -371.389
Base-Backbone interact. energy: 6.632
local terms energy: -468.675774
where:
bonds (distance) C4'-P energy: -89.785
bonds (distance) P-C4' energy: -93.261
flat angles C4'-P-C4' energy: -112.316
flat angles P-C4'-P energy: -82.604
tors. eta vs tors. theta energy: -90.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1239.592345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.592345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.592345 (E_RNA)
where:
Base-Base interactions energy: -797.010
where: short stacking energy: -348.578
Base-Backbone interact. energy: -0.142
local terms energy: -442.440652
where:
bonds (distance) C4'-P energy: -89.964
bonds (distance) P-C4' energy: -110.012
flat angles C4'-P-C4' energy: -111.766
flat angles P-C4'-P energy: -59.545
tors. eta vs tors. theta energy: -71.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -860.373057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.373057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.373057 (E_RNA)
where:
Base-Base interactions energy: -508.939
where: short stacking energy: -237.635
Base-Backbone interact. energy: 1.859
local terms energy: -353.293562
where:
bonds (distance) C4'-P energy: -75.496
bonds (distance) P-C4' energy: -103.921
flat angles C4'-P-C4' energy: -101.397
flat angles P-C4'-P energy: -46.085
tors. eta vs tors. theta energy: -26.394
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: 199
Temperature: 1.350000
Total energy: -521.256840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.256840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.256840 (E_RNA)
where:
Base-Base interactions energy: -205.934
where: short stacking energy: -144.260
Base-Backbone interact. energy: 4.395
local terms energy: -319.718015
where:
bonds (distance) C4'-P energy: -112.299
bonds (distance) P-C4' energy: -110.731
flat angles C4'-P-C4' energy: -82.098
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: 23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2083.681641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.681641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.681641 (E_RNA)
where:
Base-Base interactions energy: -1445.834
where: short stacking energy: -587.688
Base-Backbone interact. energy: -0.842
local terms energy: -637.005438
where:
bonds (distance) C4'-P energy: -110.875
bonds (distance) P-C4' energy: -121.695
flat angles C4'-P-C4' energy: -132.567
flat angles P-C4'-P energy: -90.469
tors. eta vs tors. theta energy: -181.399
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2013.111888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.111888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.111888 (E_RNA)
where:
Base-Base interactions energy: -1417.550
where: short stacking energy: -581.754
Base-Backbone interact. energy: -4.094
local terms energy: -591.468063
where:
bonds (distance) C4'-P energy: -110.159
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -122.894
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -166.138
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1898.155698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.155698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.155698 (E_RNA)
where:
Base-Base interactions energy: -1320.474
where: short stacking energy: -557.796
Base-Backbone interact. energy: 0.751
local terms energy: -578.432721
where:
bonds (distance) C4'-P energy: -110.230
bonds (distance) P-C4' energy: -107.866
flat angles C4'-P-C4' energy: -113.820
flat angles P-C4'-P energy: -85.324
tors. eta vs tors. theta energy: -161.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1814.352844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.352844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.352844 (E_RNA)
where:
Base-Base interactions energy: -1252.217
where: short stacking energy: -527.776
Base-Backbone interact. energy: -2.824
local terms energy: -559.312330
where:
bonds (distance) C4'-P energy: -96.821
bonds (distance) P-C4' energy: -114.713
flat angles C4'-P-C4' energy: -125.306
flat angles P-C4'-P energy: -74.999
tors. eta vs tors. theta energy: -147.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1622.524374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.524374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.524374 (E_RNA)
where:
Base-Base interactions energy: -1096.436
where: short stacking energy: -463.616
Base-Backbone interact. energy: -1.938
local terms energy: -524.150887
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -107.489
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -81.325
tors. eta vs tors. theta energy: -104.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1449.090630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.090630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.090630 (E_RNA)
where:
Base-Base interactions energy: -958.118
where: short stacking energy: -402.853
Base-Backbone interact. energy: -2.898
local terms energy: -488.075076
where:
bonds (distance) C4'-P energy: -98.201
bonds (distance) P-C4' energy: -100.704
flat angles C4'-P-C4' energy: -124.265
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: -83.386
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: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1358.880913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.880913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.880913 (E_RNA)
where:
Base-Base interactions energy: -885.628
where: short stacking energy: -406.723
Base-Backbone interact. energy: -1.216
local terms energy: -472.036458
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -130.574
flat angles P-C4'-P energy: -65.010
tors. eta vs tors. theta energy: -89.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1283.117149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.117149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.117149 (E_RNA)
where:
Base-Base interactions energy: -843.493
where: short stacking energy: -366.428
Base-Backbone interact. energy: -3.815
local terms energy: -435.809100
where:
bonds (distance) C4'-P energy: -89.013
bonds (distance) P-C4' energy: -103.744
flat angles C4'-P-C4' energy: -105.068
flat angles P-C4'-P energy: -66.574
tors. eta vs tors. theta energy: -71.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -834.379562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.379562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.379562 (E_RNA)
where:
Base-Base interactions energy: -467.559
where: short stacking energy: -216.994
Base-Backbone interact. energy: -0.729
local terms energy: -366.091468
where:
bonds (distance) C4'-P energy: -95.256
bonds (distance) P-C4' energy: -108.356
flat angles C4'-P-C4' energy: -99.659
flat angles P-C4'-P energy: -49.948
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -556.674862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.674862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.674862 (E_RNA)
where:
Base-Base interactions energy: -225.480
where: short stacking energy: -142.695
Base-Backbone interact. energy: -1.433
local terms energy: -329.761498
where:
bonds (distance) C4'-P energy: -106.398
bonds (distance) P-C4' energy: -104.443
flat angles C4'-P-C4' energy: -79.186
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: 13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2098.334626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.334626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.334626 (E_RNA)
where:
Base-Base interactions energy: -1475.534
where: short stacking energy: -591.426
Base-Backbone interact. energy: -2.375
local terms energy: -620.426193
where:
bonds (distance) C4'-P energy: -118.998
bonds (distance) P-C4' energy: -114.595
flat angles C4'-P-C4' energy: -128.602
flat angles P-C4'-P energy: -80.523
tors. eta vs tors. theta energy: -177.708
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: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2004.059333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.059333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.059333 (E_RNA)
where:
Base-Base interactions energy: -1375.543
where: short stacking energy: -564.167
Base-Backbone interact. energy: -2.349
local terms energy: -626.167178
where:
bonds (distance) C4'-P energy: -108.014
bonds (distance) P-C4' energy: -113.195
flat angles C4'-P-C4' energy: -126.509
flat angles P-C4'-P energy: -98.771
tors. eta vs tors. theta energy: -179.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1919.651230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.651230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.651230 (E_RNA)
where:
Base-Base interactions energy: -1317.573
where: short stacking energy: -552.939
Base-Backbone interact. energy: -3.372
local terms energy: -598.706726
where:
bonds (distance) C4'-P energy: -104.871
bonds (distance) P-C4' energy: -117.217
flat angles C4'-P-C4' energy: -124.504
flat angles P-C4'-P energy: -88.706
tors. eta vs tors. theta energy: -163.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1825.215445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.215445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.215445 (E_RNA)
where:
Base-Base interactions energy: -1269.600
where: short stacking energy: -499.928
Base-Backbone interact. energy: 7.791
local terms energy: -563.405895
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -97.454
flat angles C4'-P-C4' energy: -111.631
flat angles P-C4'-P energy: -93.786
tors. eta vs tors. theta energy: -152.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1618.855584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.855584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.855584 (E_RNA)
where:
Base-Base interactions energy: -1125.863
where: short stacking energy: -480.285
Base-Backbone interact. energy: -1.344
local terms energy: -491.648248
where:
bonds (distance) C4'-P energy: -97.161
bonds (distance) P-C4' energy: -94.179
flat angles C4'-P-C4' energy: -113.088
flat angles P-C4'-P energy: -60.780
tors. eta vs tors. theta energy: -126.440
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: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1430.077709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.077709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.077709 (E_RNA)
where:
Base-Base interactions energy: -957.495
where: short stacking energy: -412.354
Base-Backbone interact. energy: -1.417
local terms energy: -471.165446
where:
bonds (distance) C4'-P energy: -92.016
bonds (distance) P-C4' energy: -108.743
flat angles C4'-P-C4' energy: -108.211
flat angles P-C4'-P energy: -66.025
tors. eta vs tors. theta energy: -96.170
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: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1340.038854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.038854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.038854 (E_RNA)
where:
Base-Base interactions energy: -898.537
where: short stacking energy: -387.880
Base-Backbone interact. energy: -2.802
local terms energy: -438.699981
where:
bonds (distance) C4'-P energy: -83.035
bonds (distance) P-C4' energy: -113.221
flat angles C4'-P-C4' energy: -91.221
flat angles P-C4'-P energy: -62.106
tors. eta vs tors. theta energy: -89.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1319.678649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.678649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.678649 (E_RNA)
where:
Base-Base interactions energy: -876.126
where: short stacking energy: -419.931
Base-Backbone interact. energy: 9.226
local terms energy: -452.778680
where:
bonds (distance) C4'-P energy: -77.598
bonds (distance) P-C4' energy: -108.891
flat angles C4'-P-C4' energy: -88.378
flat angles P-C4'-P energy: -70.109
tors. eta vs tors. theta energy: -107.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -923.875407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.875407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.875407 (E_RNA)
where:
Base-Base interactions energy: -521.161
where: short stacking energy: -269.949
Base-Backbone interact. energy: 1.377
local terms energy: -404.091554
where:
bonds (distance) C4'-P energy: -109.596
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -87.008
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -49.010
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: 201
Temperature: 1.350000
Total energy: -570.382101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.382101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.382101 (E_RNA)
where:
Base-Base interactions energy: -225.260
where: short stacking energy: -139.020
Base-Backbone interact. energy: -3.469
local terms energy: -341.653033
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -113.976
flat angles C4'-P-C4' energy: -94.680
flat angles P-C4'-P energy: -53.831
tors. eta vs tors. theta energy: 16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2101.263868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.263868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.263868 (E_RNA)
where:
Base-Base interactions energy: -1466.888
where: short stacking energy: -588.846
Base-Backbone interact. energy: -5.653
local terms energy: -628.722849
where:
bonds (distance) C4'-P energy: -120.823
bonds (distance) P-C4' energy: -126.665
flat angles C4'-P-C4' energy: -129.911
flat angles P-C4'-P energy: -73.782
tors. eta vs tors. theta energy: -177.541
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: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1996.054871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.054871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.054871 (E_RNA)
where:
Base-Base interactions energy: -1392.714
where: short stacking energy: -568.959
Base-Backbone interact. energy: -5.227
local terms energy: -598.113885
where:
bonds (distance) C4'-P energy: -115.554
bonds (distance) P-C4' energy: -118.925
flat angles C4'-P-C4' energy: -122.597
flat angles P-C4'-P energy: -77.645
tors. eta vs tors. theta energy: -163.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1898.695749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.695749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.695749 (E_RNA)
where:
Base-Base interactions energy: -1305.589
where: short stacking energy: -543.156
Base-Backbone interact. energy: -0.595
local terms energy: -592.511384
where:
bonds (distance) C4'-P energy: -114.141
bonds (distance) P-C4' energy: -113.909
flat angles C4'-P-C4' energy: -121.836
flat angles P-C4'-P energy: -79.919
tors. eta vs tors. theta energy: -162.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1779.713816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.713816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.713816 (E_RNA)
where:
Base-Base interactions energy: -1230.285
where: short stacking energy: -485.933
Base-Backbone interact. energy: -0.915
local terms energy: -548.514330
where:
bonds (distance) C4'-P energy: -110.342
bonds (distance) P-C4' energy: -117.621
flat angles C4'-P-C4' energy: -117.506
flat angles P-C4'-P energy: -75.133
tors. eta vs tors. theta energy: -127.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1623.097226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.097226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.097226 (E_RNA)
where:
Base-Base interactions energy: -1085.777
where: short stacking energy: -458.537
Base-Backbone interact. energy: 1.516
local terms energy: -538.836351
where:
bonds (distance) C4'-P energy: -104.443
bonds (distance) P-C4' energy: -125.514
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -64.681
tors. eta vs tors. theta energy: -125.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1437.065379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.065379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.065379 (E_RNA)
where:
Base-Base interactions energy: -957.842
where: short stacking energy: -424.164
Base-Backbone interact. energy: -1.397
local terms energy: -477.827275
where:
bonds (distance) C4'-P energy: -99.429
bonds (distance) P-C4' energy: -107.222
flat angles C4'-P-C4' energy: -114.905
flat angles P-C4'-P energy: -67.018
tors. eta vs tors. theta energy: -89.254
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: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1314.607292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.607292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.607292 (E_RNA)
where:
Base-Base interactions energy: -858.274
where: short stacking energy: -381.827
Base-Backbone interact. energy: -2.825
local terms energy: -453.508700
where:
bonds (distance) C4'-P energy: -83.378
bonds (distance) P-C4' energy: -124.000
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -59.766
tors. eta vs tors. theta energy: -75.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1333.614807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.614807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.614807 (E_RNA)
where:
Base-Base interactions energy: -887.867
where: short stacking energy: -368.745
Base-Backbone interact. energy: -1.495
local terms energy: -444.252982
where:
bonds (distance) C4'-P energy: -97.438
bonds (distance) P-C4' energy: -112.235
flat angles C4'-P-C4' energy: -100.095
flat angles P-C4'-P energy: -50.037
tors. eta vs tors. theta energy: -84.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -898.751661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.751661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.751661 (E_RNA)
where:
Base-Base interactions energy: -511.998
where: short stacking energy: -278.327
Base-Backbone interact. energy: -2.827
local terms energy: -383.926106
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -101.724
flat angles C4'-P-C4' energy: -106.983
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -537.782958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.782958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.782958 (E_RNA)
where:
Base-Base interactions energy: -229.618
where: short stacking energy: -157.442
Base-Backbone interact. energy: -0.255
local terms energy: -307.909713
where:
bonds (distance) C4'-P energy: -86.583
bonds (distance) P-C4' energy: -95.520
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -56.451
tors. eta vs tors. theta energy: 11.262
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: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2116.346697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.346697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.346697 (E_RNA)
where:
Base-Base interactions energy: -1480.996
where: short stacking energy: -596.809
Base-Backbone interact. energy: -2.465
local terms energy: -632.885520
where:
bonds (distance) C4'-P energy: -113.070
bonds (distance) P-C4' energy: -120.657
flat angles C4'-P-C4' energy: -138.077
flat angles P-C4'-P energy: -83.515
tors. eta vs tors. theta energy: -177.567
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1976.505551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.505551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.505551 (E_RNA)
where:
Base-Base interactions energy: -1396.758
where: short stacking energy: -573.209
Base-Backbone interact. energy: -3.739
local terms energy: -576.008723
where:
bonds (distance) C4'-P energy: -110.460
bonds (distance) P-C4' energy: -99.887
flat angles C4'-P-C4' energy: -125.535
flat angles P-C4'-P energy: -72.685
tors. eta vs tors. theta energy: -167.442
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: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1921.944263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.944263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.944263 (E_RNA)
where:
Base-Base interactions energy: -1336.896
where: short stacking energy: -535.195
Base-Backbone interact. energy: -3.608
local terms energy: -581.439448
where:
bonds (distance) C4'-P energy: -108.804
bonds (distance) P-C4' energy: -105.508
flat angles C4'-P-C4' energy: -120.814
flat angles P-C4'-P energy: -94.444
tors. eta vs tors. theta energy: -151.870
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1813.061527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.061527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.061527 (E_RNA)
where:
Base-Base interactions energy: -1250.787
where: short stacking energy: -503.609
Base-Backbone interact. energy: -1.904
local terms energy: -560.370896
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -123.577
flat angles P-C4'-P energy: -81.513
tors. eta vs tors. theta energy: -141.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1629.453255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.453255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.453255 (E_RNA)
where:
Base-Base interactions energy: -1142.506
where: short stacking energy: -484.090
Base-Backbone interact. energy: 1.948
local terms energy: -488.894911
where:
bonds (distance) C4'-P energy: -97.588
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -74.580
tors. eta vs tors. theta energy: -122.115
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1437.465178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.465178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.465178 (E_RNA)
where:
Base-Base interactions energy: -936.819
where: short stacking energy: -396.234
Base-Backbone interact. energy: 4.017
local terms energy: -504.663012
where:
bonds (distance) C4'-P energy: -100.043
bonds (distance) P-C4' energy: -112.672
flat angles C4'-P-C4' energy: -120.873
flat angles P-C4'-P energy: -76.030
tors. eta vs tors. theta energy: -95.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1342.079579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.079579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.079579 (E_RNA)
where:
Base-Base interactions energy: -900.598
where: short stacking energy: -394.900
Base-Backbone interact. energy: 2.890
local terms energy: -444.370673
where:
bonds (distance) C4'-P energy: -99.666
bonds (distance) P-C4' energy: -92.043
flat angles C4'-P-C4' energy: -103.017
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -88.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1262.344733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.344733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.344733 (E_RNA)
where:
Base-Base interactions energy: -804.909
where: short stacking energy: -360.779
Base-Backbone interact. energy: -0.306
local terms energy: -457.130066
where:
bonds (distance) C4'-P energy: -85.013
bonds (distance) P-C4' energy: -104.192
flat angles C4'-P-C4' energy: -110.954
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -78.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -851.652624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.652624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.652624 (E_RNA)
where:
Base-Base interactions energy: -493.942
where: short stacking energy: -252.632
Base-Backbone interact. energy: 0.823
local terms energy: -358.534350
where:
bonds (distance) C4'-P energy: -87.043
bonds (distance) P-C4' energy: -90.454
flat angles C4'-P-C4' energy: -98.005
flat angles P-C4'-P energy: -53.351
tors. eta vs tors. theta energy: -29.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -571.991004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.991004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.991004 (E_RNA)
where:
Base-Base interactions energy: -229.678
where: short stacking energy: -154.124
Base-Backbone interact. energy: -2.607
local terms energy: -339.705782
where:
bonds (distance) C4'-P energy: -81.529
bonds (distance) P-C4' energy: -113.320
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2101.148279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.148279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.148279 (E_RNA)
where:
Base-Base interactions energy: -1479.944
where: short stacking energy: -598.771
Base-Backbone interact. energy: 0.966
local terms energy: -622.170463
where:
bonds (distance) C4'-P energy: -109.610
bonds (distance) P-C4' energy: -119.227
flat angles C4'-P-C4' energy: -129.000
flat angles P-C4'-P energy: -91.766
tors. eta vs tors. theta energy: -172.567
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: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1975.078835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.078835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.078835 (E_RNA)
where:
Base-Base interactions energy: -1386.397
where: short stacking energy: -573.010
Base-Backbone interact. energy: -1.491
local terms energy: -587.191013
where:
bonds (distance) C4'-P energy: -113.483
bonds (distance) P-C4' energy: -104.209
flat angles C4'-P-C4' energy: -121.201
flat angles P-C4'-P energy: -87.667
tors. eta vs tors. theta energy: -160.631
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: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1895.062149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.062149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.062149 (E_RNA)
where:
Base-Base interactions energy: -1287.607
where: short stacking energy: -518.930
Base-Backbone interact. energy: -4.945
local terms energy: -602.510278
where:
bonds (distance) C4'-P energy: -102.239
bonds (distance) P-C4' energy: -121.576
flat angles C4'-P-C4' energy: -125.608
flat angles P-C4'-P energy: -92.726
tors. eta vs tors. theta energy: -160.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1807.266953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.266953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.266953 (E_RNA)
where:
Base-Base interactions energy: -1260.999
where: short stacking energy: -510.823
Base-Backbone interact. energy: -5.099
local terms energy: -541.168893
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -99.330
flat angles C4'-P-C4' energy: -114.224
flat angles P-C4'-P energy: -66.988
tors. eta vs tors. theta energy: -149.726
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: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1643.461574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.461574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.461574 (E_RNA)
where:
Base-Base interactions energy: -1116.044
where: short stacking energy: -494.130
Base-Backbone interact. energy: -0.940
local terms energy: -526.477274
where:
bonds (distance) C4'-P energy: -107.442
bonds (distance) P-C4' energy: -110.191
flat angles C4'-P-C4' energy: -121.549
flat angles P-C4'-P energy: -57.779
tors. eta vs tors. theta energy: -129.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1415.036969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.036969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.036969 (E_RNA)
where:
Base-Base interactions energy: -952.116
where: short stacking energy: -407.510
Base-Backbone interact. energy: 2.208
local terms energy: -465.129249
where:
bonds (distance) C4'-P energy: -97.648
bonds (distance) P-C4' energy: -100.925
flat angles C4'-P-C4' energy: -109.483
flat angles P-C4'-P energy: -65.446
tors. eta vs tors. theta energy: -91.627
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: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1385.275510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.275510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.275510 (E_RNA)
where:
Base-Base interactions energy: -894.815
where: short stacking energy: -408.188
Base-Backbone interact. energy: 0.318
local terms energy: -490.778010
where:
bonds (distance) C4'-P energy: -81.673
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -115.016
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -104.058
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: 204
Temperature: 1.250000
Total energy: -1275.940780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.940780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.940780 (E_RNA)
where:
Base-Base interactions energy: -848.502
where: short stacking energy: -355.475
Base-Backbone interact. energy: 1.196
local terms energy: -428.635280
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -106.053
flat angles C4'-P-C4' energy: -91.569
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -80.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -847.810730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.810730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.810730 (E_RNA)
where:
Base-Base interactions energy: -462.467
where: short stacking energy: -227.395
Base-Backbone interact. energy: 0.061
local terms energy: -385.404424
where:
bonds (distance) C4'-P energy: -113.228
bonds (distance) P-C4' energy: -96.094
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -65.345
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -555.194260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.194260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.194260 (E_RNA)
where:
Base-Base interactions energy: -240.355
where: short stacking energy: -153.528
Base-Backbone interact. energy: 5.747
local terms energy: -320.585687
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -101.533
flat angles C4'-P-C4' energy: -80.744
flat angles P-C4'-P energy: -57.086
tors. eta vs tors. theta energy: 10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2111.978432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.978432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.978432 (E_RNA)
where:
Base-Base interactions energy: -1483.638
where: short stacking energy: -621.664
Base-Backbone interact. energy: 5.011
local terms energy: -633.351702
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -116.423
flat angles C4'-P-C4' energy: -132.319
flat angles P-C4'-P energy: -90.778
tors. eta vs tors. theta energy: -181.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2006.962984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.962984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.962984 (E_RNA)
where:
Base-Base interactions energy: -1397.969
where: short stacking energy: -559.147
Base-Backbone interact. energy: -4.093
local terms energy: -604.900815
where:
bonds (distance) C4'-P energy: -106.608
bonds (distance) P-C4' energy: -110.033
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -170.318
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: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1887.378159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.378159 (E_RNA)
where:
Base-Base interactions energy: -1318.391
where: short stacking energy: -537.028
Base-Backbone interact. energy: -0.769
local terms energy: -568.218182
where:
bonds (distance) C4'-P energy: -96.503
bonds (distance) P-C4' energy: -107.635
flat angles C4'-P-C4' energy: -123.432
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -147.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1760.280983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.280983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.280983 (E_RNA)
where:
Base-Base interactions energy: -1236.965
where: short stacking energy: -504.568
Base-Backbone interact. energy: -2.021
local terms energy: -521.294953
where:
bonds (distance) C4'-P energy: -98.806
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -71.003
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: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1660.231942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.231942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.231942 (E_RNA)
where:
Base-Base interactions energy: -1132.331
where: short stacking energy: -470.658
Base-Backbone interact. energy: 0.230
local terms energy: -528.130720
where:
bonds (distance) C4'-P energy: -107.868
bonds (distance) P-C4' energy: -105.825
flat angles C4'-P-C4' energy: -109.325
flat angles P-C4'-P energy: -74.806
tors. eta vs tors. theta energy: -130.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1445.224374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.224374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.224374 (E_RNA)
where:
Base-Base interactions energy: -971.485
where: short stacking energy: -395.532
Base-Backbone interact. energy: 1.891
local terms energy: -475.630018
where:
bonds (distance) C4'-P energy: -104.831
bonds (distance) P-C4' energy: -108.927
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -78.327
tors. eta vs tors. theta energy: -79.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1378.998490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.998490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.998490 (E_RNA)
where:
Base-Base interactions energy: -915.041
where: short stacking energy: -416.451
Base-Backbone interact. energy: -1.029
local terms energy: -462.928476
where:
bonds (distance) C4'-P energy: -92.825
bonds (distance) P-C4' energy: -97.731
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -74.207
tors. eta vs tors. theta energy: -95.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1324.366972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.366972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.366972 (E_RNA)
where:
Base-Base interactions energy: -860.117
where: short stacking energy: -379.672
Base-Backbone interact. energy: 1.897
local terms energy: -466.146838
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -93.345
flat angles C4'-P-C4' energy: -107.933
flat angles P-C4'-P energy: -68.365
tors. eta vs tors. theta energy: -98.877
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: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -881.998562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.998562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.998562 (E_RNA)
where:
Base-Base interactions energy: -506.954
where: short stacking energy: -245.957
Base-Backbone interact. energy: -1.666
local terms energy: -373.378797
where:
bonds (distance) C4'-P energy: -106.075
bonds (distance) P-C4' energy: -108.146
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -67.468
tors. eta vs tors. theta energy: -14.882
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: 205
Temperature: 1.350000
Total energy: -533.265047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.265047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.265047 (E_RNA)
where:
Base-Base interactions energy: -216.320
where: short stacking energy: -133.094
Base-Backbone interact. energy: 0.594
local terms energy: -317.538302
where:
bonds (distance) C4'-P energy: -96.269
bonds (distance) P-C4' energy: -99.592
flat angles C4'-P-C4' energy: -69.695
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: 4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2103.925071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.925071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.925071 (E_RNA)
where:
Base-Base interactions energy: -1481.093
where: short stacking energy: -618.058
Base-Backbone interact. energy: 0.587
local terms energy: -623.418812
where:
bonds (distance) C4'-P energy: -116.915
bonds (distance) P-C4' energy: -106.961
flat angles C4'-P-C4' energy: -135.091
flat angles P-C4'-P energy: -86.670
tors. eta vs tors. theta energy: -177.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1993.458368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.458368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.458368 (E_RNA)
where:
Base-Base interactions energy: -1376.478
where: short stacking energy: -563.249
Base-Backbone interact. energy: -1.464
local terms energy: -615.515862
where:
bonds (distance) C4'-P energy: -121.343
bonds (distance) P-C4' energy: -114.768
flat angles C4'-P-C4' energy: -131.597
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -167.488
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1881.579195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.579195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.579195 (E_RNA)
where:
Base-Base interactions energy: -1306.258
where: short stacking energy: -534.720
Base-Backbone interact. energy: 5.531
local terms energy: -580.852290
where:
bonds (distance) C4'-P energy: -111.838
bonds (distance) P-C4' energy: -103.898
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -89.134
tors. eta vs tors. theta energy: -156.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1768.458773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.458773 (E_RNA)
where:
Base-Base interactions energy: -1218.801
where: short stacking energy: -497.134
Base-Backbone interact. energy: -5.824
local terms energy: -543.834131
where:
bonds (distance) C4'-P energy: -105.732
bonds (distance) P-C4' energy: -116.742
flat angles C4'-P-C4' energy: -125.958
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -126.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1604.950354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.950354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.950354 (E_RNA)
where:
Base-Base interactions energy: -1097.185
where: short stacking energy: -453.612
Base-Backbone interact. energy: 1.300
local terms energy: -509.064515
where:
bonds (distance) C4'-P energy: -100.759
bonds (distance) P-C4' energy: -109.512
flat angles C4'-P-C4' energy: -102.016
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -113.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1450.371138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.371138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.371138 (E_RNA)
where:
Base-Base interactions energy: -969.833
where: short stacking energy: -424.827
Base-Backbone interact. energy: -0.491
local terms energy: -480.047129
where:
bonds (distance) C4'-P energy: -93.641
bonds (distance) P-C4' energy: -100.018
flat angles C4'-P-C4' energy: -107.960
flat angles P-C4'-P energy: -81.896
tors. eta vs tors. theta energy: -96.532
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1360.682009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.682009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.682009 (E_RNA)
where:
Base-Base interactions energy: -904.378
where: short stacking energy: -409.846
Base-Backbone interact. energy: 0.119
local terms energy: -456.422730
where:
bonds (distance) C4'-P energy: -79.787
bonds (distance) P-C4' energy: -93.264
flat angles C4'-P-C4' energy: -106.984
flat angles P-C4'-P energy: -65.466
tors. eta vs tors. theta energy: -110.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1224.831908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.831908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.831908 (E_RNA)
where:
Base-Base interactions energy: -816.841
where: short stacking energy: -344.000
Base-Backbone interact. energy: 2.685
local terms energy: -410.675454
where:
bonds (distance) C4'-P energy: -80.541
bonds (distance) P-C4' energy: -88.368
flat angles C4'-P-C4' energy: -74.704
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -87.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -854.314616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.314616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.314616 (E_RNA)
where:
Base-Base interactions energy: -482.584
where: short stacking energy: -238.076
Base-Backbone interact. energy: -1.204
local terms energy: -370.526845
where:
bonds (distance) C4'-P energy: -90.942
bonds (distance) P-C4' energy: -101.462
flat angles C4'-P-C4' energy: -102.146
flat angles P-C4'-P energy: -48.601
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -580.332483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.332483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.332483 (E_RNA)
where:
Base-Base interactions energy: -283.643
where: short stacking energy: -164.730
Base-Backbone interact. energy: -1.350
local terms energy: -295.339298
where:
bonds (distance) C4'-P energy: -87.878
bonds (distance) P-C4' energy: -86.823
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: -1.801
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: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2082.241149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.241149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.241149 (E_RNA)
where:
Base-Base interactions energy: -1449.508
where: short stacking energy: -593.266
Base-Backbone interact. energy: -0.704
local terms energy: -632.029429
where:
bonds (distance) C4'-P energy: -114.893
bonds (distance) P-C4' energy: -117.609
flat angles C4'-P-C4' energy: -137.572
flat angles P-C4'-P energy: -96.269
tors. eta vs tors. theta energy: -165.687
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: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1977.388494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.388494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.388494 (E_RNA)
where:
Base-Base interactions energy: -1359.331
where: short stacking energy: -570.376
Base-Backbone interact. energy: -5.957
local terms energy: -612.100981
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -114.535
flat angles C4'-P-C4' energy: -128.791
flat angles P-C4'-P energy: -87.021
tors. eta vs tors. theta energy: -177.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1927.087816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.087816 (E_RNA)
where:
Base-Base interactions energy: -1361.504
where: short stacking energy: -556.840
Base-Backbone interact. energy: -2.091
local terms energy: -563.492246
where:
bonds (distance) C4'-P energy: -104.929
bonds (distance) P-C4' energy: -107.550
flat angles C4'-P-C4' energy: -126.498
flat angles P-C4'-P energy: -64.300
tors. eta vs tors. theta energy: -160.215
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: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1773.961400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.961400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.961400 (E_RNA)
where:
Base-Base interactions energy: -1241.136
where: short stacking energy: -506.607
Base-Backbone interact. energy: -5.495
local terms energy: -527.330489
where:
bonds (distance) C4'-P energy: -109.233
bonds (distance) P-C4' energy: -94.790
flat angles C4'-P-C4' energy: -112.265
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -134.832
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: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1647.232588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.232588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.232588 (E_RNA)
where:
Base-Base interactions energy: -1107.785
where: short stacking energy: -471.323
Base-Backbone interact. energy: -2.642
local terms energy: -536.806421
where:
bonds (distance) C4'-P energy: -101.359
bonds (distance) P-C4' energy: -111.712
flat angles C4'-P-C4' energy: -128.619
flat angles P-C4'-P energy: -71.276
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: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1432.363185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.363185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.363185 (E_RNA)
where:
Base-Base interactions energy: -982.280
where: short stacking energy: -410.125
Base-Backbone interact. energy: 0.831
local terms energy: -450.914440
where:
bonds (distance) C4'-P energy: -89.222
bonds (distance) P-C4' energy: -95.745
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -76.663
tors. eta vs tors. theta energy: -80.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1365.834614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.834614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.834614 (E_RNA)
where:
Base-Base interactions energy: -898.952
where: short stacking energy: -398.944
Base-Backbone interact. energy: -3.299
local terms energy: -463.584007
where:
bonds (distance) C4'-P energy: -80.300
bonds (distance) P-C4' energy: -102.175
flat angles C4'-P-C4' energy: -111.476
flat angles P-C4'-P energy: -69.765
tors. eta vs tors. theta energy: -99.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1241.315733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.315733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.315733 (E_RNA)
where:
Base-Base interactions energy: -788.919
where: short stacking energy: -376.903
Base-Backbone interact. energy: -3.381
local terms energy: -449.016438
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -87.650
flat angles P-C4'-P energy: -73.548
tors. eta vs tors. theta energy: -82.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -829.816568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.816568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.816568 (E_RNA)
where:
Base-Base interactions energy: -500.497
where: short stacking energy: -226.258
Base-Backbone interact. energy: 11.861
local terms energy: -341.181479
where:
bonds (distance) C4'-P energy: -87.651
bonds (distance) P-C4' energy: -90.037
flat angles C4'-P-C4' energy: -99.867
flat angles P-C4'-P energy: -45.120
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -674.011930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.011930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.011930 (E_RNA)
where:
Base-Base interactions energy: -366.338
where: short stacking energy: -182.602
Base-Backbone interact. energy: 3.959
local terms energy: -311.632442
where:
bonds (distance) C4'-P energy: -89.863
bonds (distance) P-C4' energy: -104.195
flat angles C4'-P-C4' energy: -73.970
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -8.529
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: 208
Temperature: 0.900000
Total energy: -2096.753510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.753510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.753510 (E_RNA)
where:
Base-Base interactions energy: -1459.123
where: short stacking energy: -587.231
Base-Backbone interact. energy: -4.073
local terms energy: -633.557316
where:
bonds (distance) C4'-P energy: -123.550
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -129.568
flat angles P-C4'-P energy: -89.830
tors. eta vs tors. theta energy: -170.581
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: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1986.527031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.527031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.527031 (E_RNA)
where:
Base-Base interactions energy: -1368.108
where: short stacking energy: -526.114
Base-Backbone interact. energy: 0.211
local terms energy: -618.629690
where:
bonds (distance) C4'-P energy: -121.579
bonds (distance) P-C4' energy: -123.846
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -86.991
tors. eta vs tors. theta energy: -157.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1961.972906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.972906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.972906 (E_RNA)
where:
Base-Base interactions energy: -1397.244
where: short stacking energy: -581.836
Base-Backbone interact. energy: -3.189
local terms energy: -561.539509
where:
bonds (distance) C4'-P energy: -99.304
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -124.138
flat angles P-C4'-P energy: -81.433
tors. eta vs tors. theta energy: -162.083
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: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1827.050733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.050733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.050733 (E_RNA)
where:
Base-Base interactions energy: -1264.263
where: short stacking energy: -526.369
Base-Backbone interact. energy: 5.377
local terms energy: -568.164446
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -109.491
flat angles C4'-P-C4' energy: -131.322
flat angles P-C4'-P energy: -87.062
tors. eta vs tors. theta energy: -150.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1647.241284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.241284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.241284 (E_RNA)
where:
Base-Base interactions energy: -1094.740
where: short stacking energy: -465.958
Base-Backbone interact. energy: -2.798
local terms energy: -549.702578
where:
bonds (distance) C4'-P energy: -110.285
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -116.047
flat angles P-C4'-P energy: -82.379
tors. eta vs tors. theta energy: -140.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1452.080549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.080549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.080549 (E_RNA)
where:
Base-Base interactions energy: -995.508
where: short stacking energy: -420.399
Base-Backbone interact. energy: -3.256
local terms energy: -453.316217
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -91.638
flat angles C4'-P-C4' energy: -110.573
flat angles P-C4'-P energy: -76.550
tors. eta vs tors. theta energy: -88.223
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1371.853974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.853974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.853974 (E_RNA)
where:
Base-Base interactions energy: -901.200
where: short stacking energy: -391.637
Base-Backbone interact. energy: 0.705
local terms energy: -471.358802
where:
bonds (distance) C4'-P energy: -105.120
bonds (distance) P-C4' energy: -102.462
flat angles C4'-P-C4' energy: -106.548
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -91.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1257.581377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.581377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.581377 (E_RNA)
where:
Base-Base interactions energy: -803.035
where: short stacking energy: -348.947
Base-Backbone interact. energy: -0.561
local terms energy: -453.985225
where:
bonds (distance) C4'-P energy: -107.859
bonds (distance) P-C4' energy: -99.876
flat angles C4'-P-C4' energy: -106.689
flat angles P-C4'-P energy: -57.293
tors. eta vs tors. theta energy: -82.267
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: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -832.230045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.230045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.230045 (E_RNA)
where:
Base-Base interactions energy: -486.203
where: short stacking energy: -248.491
Base-Backbone interact. energy: -2.269
local terms energy: -343.758236
where:
bonds (distance) C4'-P energy: -101.966
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -54.638
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -600.458179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.458179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.458179 (E_RNA)
where:
Base-Base interactions energy: -300.447
where: short stacking energy: -177.398
Base-Backbone interact. energy: -1.902
local terms energy: -298.109135
where:
bonds (distance) C4'-P energy: -80.014
bonds (distance) P-C4' energy: -96.887
flat angles C4'-P-C4' energy: -77.132
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -0.464
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2098.820786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.820786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.820786 (E_RNA)
where:
Base-Base interactions energy: -1439.483
where: short stacking energy: -589.698
Base-Backbone interact. energy: -5.531
local terms energy: -653.807621
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -135.947
flat angles C4'-P-C4' energy: -139.255
flat angles P-C4'-P energy: -94.689
tors. eta vs tors. theta energy: -168.994
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: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1974.501059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.501059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.501059 (E_RNA)
where:
Base-Base interactions energy: -1364.988
where: short stacking energy: -542.357
Base-Backbone interact. energy: -3.033
local terms energy: -606.480788
where:
bonds (distance) C4'-P energy: -121.402
bonds (distance) P-C4' energy: -119.724
flat angles C4'-P-C4' energy: -121.287
flat angles P-C4'-P energy: -83.236
tors. eta vs tors. theta energy: -160.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1918.995729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.995729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.995729 (E_RNA)
where:
Base-Base interactions energy: -1344.554
where: short stacking energy: -548.502
Base-Backbone interact. energy: 2.379
local terms energy: -576.819837
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -102.571
flat angles C4'-P-C4' energy: -128.615
flat angles P-C4'-P energy: -92.293
tors. eta vs tors. theta energy: -151.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1753.909421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.909421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.909421 (E_RNA)
where:
Base-Base interactions energy: -1210.614
where: short stacking energy: -496.453
Base-Backbone interact. energy: -1.053
local terms energy: -542.242921
where:
bonds (distance) C4'-P energy: -104.318
bonds (distance) P-C4' energy: -109.306
flat angles C4'-P-C4' energy: -116.747
flat angles P-C4'-P energy: -76.638
tors. eta vs tors. theta energy: -135.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1637.619820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.619820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.619820 (E_RNA)
where:
Base-Base interactions energy: -1087.844
where: short stacking energy: -480.820
Base-Backbone interact. energy: -1.032
local terms energy: -548.744070
where:
bonds (distance) C4'-P energy: -110.700
bonds (distance) P-C4' energy: -100.215
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -84.890
tors. eta vs tors. theta energy: -131.027
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1553.477490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.477490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.477490 (E_RNA)
where:
Base-Base interactions energy: -1047.269
where: short stacking energy: -440.777
Base-Backbone interact. energy: 0.976
local terms energy: -507.184620
where:
bonds (distance) C4'-P energy: -106.843
bonds (distance) P-C4' energy: -105.550
flat angles C4'-P-C4' energy: -106.241
flat angles P-C4'-P energy: -80.523
tors. eta vs tors. theta energy: -108.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1326.538578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.538578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.538578 (E_RNA)
where:
Base-Base interactions energy: -857.061
where: short stacking energy: -384.294
Base-Backbone interact. energy: -0.778
local terms energy: -468.699679
where:
bonds (distance) C4'-P energy: -94.616
bonds (distance) P-C4' energy: -113.949
flat angles C4'-P-C4' energy: -99.203
flat angles P-C4'-P energy: -77.780
tors. eta vs tors. theta energy: -83.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1250.703699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.703699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.703699 (E_RNA)
where:
Base-Base interactions energy: -822.809
where: short stacking energy: -357.724
Base-Backbone interact. energy: -0.617
local terms energy: -427.277801
where:
bonds (distance) C4'-P energy: -90.478
bonds (distance) P-C4' energy: -88.466
flat angles C4'-P-C4' energy: -108.177
flat angles P-C4'-P energy: -64.033
tors. eta vs tors. theta energy: -76.124
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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -817.115895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.115895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.115895 (E_RNA)
where:
Base-Base interactions energy: -465.879
where: short stacking energy: -218.280
Base-Backbone interact. energy: 0.323
local terms energy: -351.559889
where:
bonds (distance) C4'-P energy: -100.471
bonds (distance) P-C4' energy: -97.347
flat angles C4'-P-C4' energy: -85.308
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -620.383514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.383514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.383514 (E_RNA)
where:
Base-Base interactions energy: -318.227
where: short stacking energy: -176.757
Base-Backbone interact. energy: -1.577
local terms energy: -300.579881
where:
bonds (distance) C4'-P energy: -97.171
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: 13.553
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: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2095.210941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.210941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.210941 (E_RNA)
where:
Base-Base interactions energy: -1463.982
where: short stacking energy: -590.534
Base-Backbone interact. energy: -0.001
local terms energy: -631.228512
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -114.718
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -93.436
tors. eta vs tors. theta energy: -180.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1994.849870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.849870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.849870 (E_RNA)
where:
Base-Base interactions energy: -1372.520
where: short stacking energy: -533.804
Base-Backbone interact. energy: -2.001
local terms energy: -620.328363
where:
bonds (distance) C4'-P energy: -112.390
bonds (distance) P-C4' energy: -116.217
flat angles C4'-P-C4' energy: -131.022
flat angles P-C4'-P energy: -98.194
tors. eta vs tors. theta energy: -162.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1924.692711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.692711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.692711 (E_RNA)
where:
Base-Base interactions energy: -1346.634
where: short stacking energy: -555.336
Base-Backbone interact. energy: -2.686
local terms energy: -575.373067
where:
bonds (distance) C4'-P energy: -117.282
bonds (distance) P-C4' energy: -97.143
flat angles C4'-P-C4' energy: -120.584
flat angles P-C4'-P energy: -86.012
tors. eta vs tors. theta energy: -154.352
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: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1760.645304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.645304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.645304 (E_RNA)
where:
Base-Base interactions energy: -1227.125
where: short stacking energy: -478.447
Base-Backbone interact. energy: 2.950
local terms energy: -536.469748
where:
bonds (distance) C4'-P energy: -115.268
bonds (distance) P-C4' energy: -109.120
flat angles C4'-P-C4' energy: -110.690
flat angles P-C4'-P energy: -79.791
tors. eta vs tors. theta energy: -121.601
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1640.151468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.151468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.151468 (E_RNA)
where:
Base-Base interactions energy: -1098.697
where: short stacking energy: -459.476
Base-Backbone interact. energy: -1.718
local terms energy: -539.736101
where:
bonds (distance) C4'-P energy: -106.762
bonds (distance) P-C4' energy: -120.392
flat angles C4'-P-C4' energy: -109.522
flat angles P-C4'-P energy: -79.510
tors. eta vs tors. theta energy: -123.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1512.666273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.666273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.666273 (E_RNA)
where:
Base-Base interactions energy: -1020.050
where: short stacking energy: -433.504
Base-Backbone interact. energy: 4.023
local terms energy: -496.638653
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -101.923
flat angles C4'-P-C4' energy: -99.076
flat angles P-C4'-P energy: -85.742
tors. eta vs tors. theta energy: -110.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1370.744388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.744388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.744388 (E_RNA)
where:
Base-Base interactions energy: -889.234
where: short stacking energy: -403.000
Base-Backbone interact. energy: -3.694
local terms energy: -477.817120
where:
bonds (distance) C4'-P energy: -99.505
bonds (distance) P-C4' energy: -104.548
flat angles C4'-P-C4' energy: -100.742
flat angles P-C4'-P energy: -66.768
tors. eta vs tors. theta energy: -106.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1229.877707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.877707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.877707 (E_RNA)
where:
Base-Base interactions energy: -842.707
where: short stacking energy: -350.336
Base-Backbone interact. energy: 4.123
local terms energy: -391.294255
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -90.698
flat angles C4'-P-C4' energy: -88.129
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -71.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -821.214215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.214215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.214215 (E_RNA)
where:
Base-Base interactions energy: -466.191
where: short stacking energy: -245.457
Base-Backbone interact. energy: 2.397
local terms energy: -357.419739
where:
bonds (distance) C4'-P energy: -101.540
bonds (distance) P-C4' energy: -89.723
flat angles C4'-P-C4' energy: -79.088
flat angles P-C4'-P energy: -58.316
tors. eta vs tors. theta energy: -28.753
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: 210
Temperature: 1.350000
Total energy: -629.319068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.319068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.319068 (E_RNA)
where:
Base-Base interactions energy: -289.390
where: short stacking energy: -145.764
Base-Backbone interact. energy: -1.197
local terms energy: -338.732244
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -93.067
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -60.451
tors. eta vs tors. theta energy: 18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2063.889751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.889751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.889751 (E_RNA)
where:
Base-Base interactions energy: -1449.994
where: short stacking energy: -600.449
Base-Backbone interact. energy: 0.137
local terms energy: -614.031970
where:
bonds (distance) C4'-P energy: -109.532
bonds (distance) P-C4' energy: -105.387
flat angles C4'-P-C4' energy: -136.415
flat angles P-C4'-P energy: -89.026
tors. eta vs tors. theta energy: -173.672
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: 211
Temperature: 0.950000
Total energy: -1975.491136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.491136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.491136 (E_RNA)
where:
Base-Base interactions energy: -1370.289
where: short stacking energy: -550.539
Base-Backbone interact. energy: -6.888
local terms energy: -598.314103
where:
bonds (distance) C4'-P energy: -108.041
bonds (distance) P-C4' energy: -98.195
flat angles C4'-P-C4' energy: -136.367
flat angles P-C4'-P energy: -88.540
tors. eta vs tors. theta energy: -167.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1929.582175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.582175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.582175 (E_RNA)
where:
Base-Base interactions energy: -1335.268
where: short stacking energy: -529.998
Base-Backbone interact. energy: 1.581
local terms energy: -595.895069
where:
bonds (distance) C4'-P energy: -109.315
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -131.661
flat angles P-C4'-P energy: -87.288
tors. eta vs tors. theta energy: -151.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1763.700131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.700131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.700131 (E_RNA)
where:
Base-Base interactions energy: -1225.093
where: short stacking energy: -477.661
Base-Backbone interact. energy: -2.878
local terms energy: -535.728797
where:
bonds (distance) C4'-P energy: -96.875
bonds (distance) P-C4' energy: -112.366
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -79.207
tors. eta vs tors. theta energy: -129.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1652.492596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.492596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.492596 (E_RNA)
where:
Base-Base interactions energy: -1107.238
where: short stacking energy: -458.244
Base-Backbone interact. energy: 0.438
local terms energy: -545.692398
where:
bonds (distance) C4'-P energy: -115.065
bonds (distance) P-C4' energy: -104.483
flat angles C4'-P-C4' energy: -109.911
flat angles P-C4'-P energy: -86.760
tors. eta vs tors. theta energy: -129.473
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: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1513.583086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.583086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.583086 (E_RNA)
where:
Base-Base interactions energy: -1015.040
where: short stacking energy: -445.330
Base-Backbone interact. energy: -0.544
local terms energy: -497.999729
where:
bonds (distance) C4'-P energy: -103.929
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -122.313
flat angles P-C4'-P energy: -65.700
tors. eta vs tors. theta energy: -120.115
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: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1408.668390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.668390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.668390 (E_RNA)
where:
Base-Base interactions energy: -954.079
where: short stacking energy: -406.976
Base-Backbone interact. energy: -0.642
local terms energy: -453.947393
where:
bonds (distance) C4'-P energy: -107.400
bonds (distance) P-C4' energy: -96.905
flat angles C4'-P-C4' energy: -105.218
flat angles P-C4'-P energy: -60.024
tors. eta vs tors. theta energy: -84.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1211.984605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.984605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.984605 (E_RNA)
where:
Base-Base interactions energy: -799.643
where: short stacking energy: -369.645
Base-Backbone interact. energy: 1.336
local terms energy: -413.678047
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -90.729
flat angles C4'-P-C4' energy: -84.953
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -93.778
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: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -821.854688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.854688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.854688 (E_RNA)
where:
Base-Base interactions energy: -462.932
where: short stacking energy: -245.050
Base-Backbone interact. energy: 3.271
local terms energy: -362.194259
where:
bonds (distance) C4'-P energy: -112.190
bonds (distance) P-C4' energy: -101.242
flat angles C4'-P-C4' energy: -74.278
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -560.586654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.586654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.586654 (E_RNA)
where:
Base-Base interactions energy: -277.026
where: short stacking energy: -168.936
Base-Backbone interact. energy: 2.510
local terms energy: -286.070256
where:
bonds (distance) C4'-P energy: -92.136
bonds (distance) P-C4' energy: -94.147
flat angles C4'-P-C4' energy: -75.966
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: 26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2097.568591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.568591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.568591 (E_RNA)
where:
Base-Base interactions energy: -1473.197
where: short stacking energy: -590.290
Base-Backbone interact. energy: 2.156
local terms energy: -626.527590
where:
bonds (distance) C4'-P energy: -111.267
bonds (distance) P-C4' energy: -120.736
flat angles C4'-P-C4' energy: -134.952
flat angles P-C4'-P energy: -86.725
tors. eta vs tors. theta energy: -172.848
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: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1965.316599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.316599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.316599 (E_RNA)
where:
Base-Base interactions energy: -1364.123
where: short stacking energy: -543.671
Base-Backbone interact. energy: -4.220
local terms energy: -596.972849
where:
bonds (distance) C4'-P energy: -106.473
bonds (distance) P-C4' energy: -116.758
flat angles C4'-P-C4' energy: -125.051
flat angles P-C4'-P energy: -89.277
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1951.456198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.456198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.456198 (E_RNA)
where:
Base-Base interactions energy: -1349.243
where: short stacking energy: -550.451
Base-Backbone interact. energy: -2.135
local terms energy: -600.078059
where:
bonds (distance) C4'-P energy: -118.861
bonds (distance) P-C4' energy: -108.904
flat angles C4'-P-C4' energy: -123.142
flat angles P-C4'-P energy: -88.473
tors. eta vs tors. theta energy: -160.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1785.543935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.543935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.543935 (E_RNA)
where:
Base-Base interactions energy: -1243.611
where: short stacking energy: -515.882
Base-Backbone interact. energy: -0.644
local terms energy: -541.289426
where:
bonds (distance) C4'-P energy: -106.743
bonds (distance) P-C4' energy: -107.142
flat angles C4'-P-C4' energy: -114.770
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -138.618
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: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1605.301232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.301232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.301232 (E_RNA)
where:
Base-Base interactions energy: -1074.503
where: short stacking energy: -472.810
Base-Backbone interact. energy: 0.072
local terms energy: -530.870964
where:
bonds (distance) C4'-P energy: -100.607
bonds (distance) P-C4' energy: -98.837
flat angles C4'-P-C4' energy: -126.501
flat angles P-C4'-P energy: -81.946
tors. eta vs tors. theta energy: -122.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1520.210818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.210818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.210818 (E_RNA)
where:
Base-Base interactions energy: -1022.565
where: short stacking energy: -424.590
Base-Backbone interact. energy: 3.866
local terms energy: -501.511653
where:
bonds (distance) C4'-P energy: -101.665
bonds (distance) P-C4' energy: -124.948
flat angles C4'-P-C4' energy: -111.888
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -111.007
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: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1358.240770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.240770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.240770 (E_RNA)
where:
Base-Base interactions energy: -878.849
where: short stacking energy: -399.524
Base-Backbone interact. energy: -1.746
local terms energy: -477.646150
where:
bonds (distance) C4'-P energy: -95.554
bonds (distance) P-C4' energy: -107.020
flat angles C4'-P-C4' energy: -105.689
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -91.247
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1223.114493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.114493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.114493 (E_RNA)
where:
Base-Base interactions energy: -784.578
where: short stacking energy: -328.105
Base-Backbone interact. energy: 5.623
local terms energy: -444.158749
where:
bonds (distance) C4'-P energy: -104.127
bonds (distance) P-C4' energy: -100.988
flat angles C4'-P-C4' energy: -91.363
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -84.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -874.503237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.503237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.503237 (E_RNA)
where:
Base-Base interactions energy: -504.616
where: short stacking energy: -252.636
Base-Backbone interact. energy: 0.830
local terms energy: -370.717063
where:
bonds (distance) C4'-P energy: -112.261
bonds (distance) P-C4' energy: -99.931
flat angles C4'-P-C4' energy: -83.253
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -588.242851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.242851 (E_RNA)
where:
Base-Base interactions energy: -282.712
where: short stacking energy: -185.278
Base-Backbone interact. energy: 1.119
local terms energy: -306.649192
where:
bonds (distance) C4'-P energy: -92.140
bonds (distance) P-C4' energy: -91.208
flat angles C4'-P-C4' energy: -95.329
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: 9.410
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: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2093.528453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.528453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.528453 (E_RNA)
where:
Base-Base interactions energy: -1491.928
where: short stacking energy: -603.483
Base-Backbone interact. energy: 0.106
local terms energy: -601.706527
where:
bonds (distance) C4'-P energy: -99.397
bonds (distance) P-C4' energy: -115.016
flat angles C4'-P-C4' energy: -125.792
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: -172.135
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: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1978.202174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.202174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.202174 (E_RNA)
where:
Base-Base interactions energy: -1361.891
where: short stacking energy: -555.705
Base-Backbone interact. energy: -5.801
local terms energy: -610.509948
where:
bonds (distance) C4'-P energy: -110.640
bonds (distance) P-C4' energy: -115.088
flat angles C4'-P-C4' energy: -133.916
flat angles P-C4'-P energy: -94.129
tors. eta vs tors. theta energy: -156.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1900.687465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.687465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.687465 (E_RNA)
where:
Base-Base interactions energy: -1321.323
where: short stacking energy: -565.308
Base-Backbone interact. energy: -3.420
local terms energy: -575.944122
where:
bonds (distance) C4'-P energy: -94.396
bonds (distance) P-C4' energy: -106.814
flat angles C4'-P-C4' energy: -129.493
flat angles P-C4'-P energy: -84.335
tors. eta vs tors. theta energy: -160.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1770.987161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.987161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.987161 (E_RNA)
where:
Base-Base interactions energy: -1221.548
where: short stacking energy: -486.747
Base-Backbone interact. energy: -1.293
local terms energy: -548.146356
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -120.260
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -127.928
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: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1648.490381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.490381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.490381 (E_RNA)
where:
Base-Base interactions energy: -1129.918
where: short stacking energy: -477.193
Base-Backbone interact. energy: -1.148
local terms energy: -517.424370
where:
bonds (distance) C4'-P energy: -103.099
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -116.143
flat angles P-C4'-P energy: -71.585
tors. eta vs tors. theta energy: -119.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1515.340777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.340777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.340777 (E_RNA)
where:
Base-Base interactions energy: -1044.062
where: short stacking energy: -439.791
Base-Backbone interact. energy: -0.499
local terms energy: -470.780279
where:
bonds (distance) C4'-P energy: -83.269
bonds (distance) P-C4' energy: -112.023
flat angles C4'-P-C4' energy: -101.349
flat angles P-C4'-P energy: -66.770
tors. eta vs tors. theta energy: -107.369
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: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1348.525399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.525399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.525399 (E_RNA)
where:
Base-Base interactions energy: -890.911
where: short stacking energy: -403.331
Base-Backbone interact. energy: -1.200
local terms energy: -456.414626
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -97.010
flat angles C4'-P-C4' energy: -101.549
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -95.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1235.727484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.727484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.727484 (E_RNA)
where:
Base-Base interactions energy: -768.769
where: short stacking energy: -333.634
Base-Backbone interact. energy: -0.666
local terms energy: -466.292653
where:
bonds (distance) C4'-P energy: -114.754
bonds (distance) P-C4' energy: -113.379
flat angles C4'-P-C4' energy: -93.972
flat angles P-C4'-P energy: -70.631
tors. eta vs tors. theta energy: -73.557
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: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -919.272027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.272027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.272027 (E_RNA)
where:
Base-Base interactions energy: -533.681
where: short stacking energy: -281.232
Base-Backbone interact. energy: -1.340
local terms energy: -384.251777
where:
bonds (distance) C4'-P energy: -82.064
bonds (distance) P-C4' energy: -115.780
flat angles C4'-P-C4' energy: -91.262
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -42.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -592.010880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.010880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.010880 (E_RNA)
where:
Base-Base interactions energy: -275.578
where: short stacking energy: -179.456
Base-Backbone interact. energy: -1.275
local terms energy: -315.158121
where:
bonds (distance) C4'-P energy: -91.115
bonds (distance) P-C4' energy: -106.968
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2080.870690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.870690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.870690 (E_RNA)
where:
Base-Base interactions energy: -1459.856
where: short stacking energy: -588.737
Base-Backbone interact. energy: -3.030
local terms energy: -617.983699
where:
bonds (distance) C4'-P energy: -124.094
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -128.517
flat angles P-C4'-P energy: -95.658
tors. eta vs tors. theta energy: -165.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2004.070992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.070992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.070992 (E_RNA)
where:
Base-Base interactions energy: -1405.999
where: short stacking energy: -568.199
Base-Backbone interact. energy: -3.472
local terms energy: -594.599819
where:
bonds (distance) C4'-P energy: -104.491
bonds (distance) P-C4' energy: -117.709
flat angles C4'-P-C4' energy: -133.152
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -159.237
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: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1928.934960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.934960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.934960 (E_RNA)
where:
Base-Base interactions energy: -1358.351
where: short stacking energy: -550.363
Base-Backbone interact. energy: -4.732
local terms energy: -565.851796
where:
bonds (distance) C4'-P energy: -99.162
bonds (distance) P-C4' energy: -106.402
flat angles C4'-P-C4' energy: -119.623
flat angles P-C4'-P energy: -83.277
tors. eta vs tors. theta energy: -157.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1828.140630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.140630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.140630 (E_RNA)
where:
Base-Base interactions energy: -1270.398
where: short stacking energy: -511.342
Base-Backbone interact. energy: -0.093
local terms energy: -557.650229
where:
bonds (distance) C4'-P energy: -112.558
bonds (distance) P-C4' energy: -115.222
flat angles C4'-P-C4' energy: -112.493
flat angles P-C4'-P energy: -73.794
tors. eta vs tors. theta energy: -143.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1620.901158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.901158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.901158 (E_RNA)
where:
Base-Base interactions energy: -1090.432
where: short stacking energy: -462.344
Base-Backbone interact. energy: -2.052
local terms energy: -528.416974
where:
bonds (distance) C4'-P energy: -111.524
bonds (distance) P-C4' energy: -99.333
flat angles C4'-P-C4' energy: -114.676
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -125.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1612.031323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.031323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.031323 (E_RNA)
where:
Base-Base interactions energy: -1099.719
where: short stacking energy: -461.048
Base-Backbone interact. energy: 0.036
local terms energy: -512.348361
where:
bonds (distance) C4'-P energy: -96.578
bonds (distance) P-C4' energy: -93.700
flat angles C4'-P-C4' energy: -122.160
flat angles P-C4'-P energy: -67.097
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: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1349.883820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.883820 (E_RNA)
where:
Base-Base interactions energy: -907.221
where: short stacking energy: -409.794
Base-Backbone interact. energy: 1.253
local terms energy: -443.916297
where:
bonds (distance) C4'-P energy: -86.182
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -105.719
flat angles P-C4'-P energy: -60.510
tors. eta vs tors. theta energy: -99.518
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: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1196.679400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.679400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.679400 (E_RNA)
where:
Base-Base interactions energy: -785.063
where: short stacking energy: -353.815
Base-Backbone interact. energy: 3.061
local terms energy: -414.677069
where:
bonds (distance) C4'-P energy: -96.504
bonds (distance) P-C4' energy: -92.812
flat angles C4'-P-C4' energy: -94.593
flat angles P-C4'-P energy: -58.795
tors. eta vs tors. theta energy: -71.973
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: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -946.983745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.983745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.983745 (E_RNA)
where:
Base-Base interactions energy: -550.349
where: short stacking energy: -270.058
Base-Backbone interact. energy: 1.698
local terms energy: -398.332585
where:
bonds (distance) C4'-P energy: -94.399
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -62.384
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -540.585705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.585705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.585705 (E_RNA)
where:
Base-Base interactions energy: -233.433
where: short stacking energy: -163.364
Base-Backbone interact. energy: 2.120
local terms energy: -309.272195
where:
bonds (distance) C4'-P energy: -91.662
bonds (distance) P-C4' energy: -76.824
flat angles C4'-P-C4' energy: -89.593
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: 7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2088.317833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.317833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.317833 (E_RNA)
where:
Base-Base interactions energy: -1451.745
where: short stacking energy: -597.893
Base-Backbone interact. energy: 2.802
local terms energy: -639.375534
where:
bonds (distance) C4'-P energy: -114.480
bonds (distance) P-C4' energy: -108.238
flat angles C4'-P-C4' energy: -140.786
flat angles P-C4'-P energy: -95.168
tors. eta vs tors. theta energy: -180.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2013.370132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.370132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.370132 (E_RNA)
where:
Base-Base interactions energy: -1398.192
where: short stacking energy: -554.101
Base-Backbone interact. energy: -2.995
local terms energy: -612.182290
where:
bonds (distance) C4'-P energy: -117.038
bonds (distance) P-C4' energy: -109.059
flat angles C4'-P-C4' energy: -134.707
flat angles P-C4'-P energy: -84.792
tors. eta vs tors. theta energy: -166.587
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1928.485032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.485032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.485032 (E_RNA)
where:
Base-Base interactions energy: -1321.507
where: short stacking energy: -539.726
Base-Backbone interact. energy: -3.549
local terms energy: -603.428321
where:
bonds (distance) C4'-P energy: -116.742
bonds (distance) P-C4' energy: -115.559
flat angles C4'-P-C4' energy: -118.519
flat angles P-C4'-P energy: -95.207
tors. eta vs tors. theta energy: -157.401
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: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1807.656381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.656381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.656381 (E_RNA)
where:
Base-Base interactions energy: -1272.037
where: short stacking energy: -505.671
Base-Backbone interact. energy: 1.860
local terms energy: -537.479450
where:
bonds (distance) C4'-P energy: -102.293
bonds (distance) P-C4' energy: -91.577
flat angles C4'-P-C4' energy: -120.614
flat angles P-C4'-P energy: -68.927
tors. eta vs tors. theta energy: -154.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1608.898462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.898462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.898462 (E_RNA)
where:
Base-Base interactions energy: -1078.542
where: short stacking energy: -468.526
Base-Backbone interact. energy: -1.434
local terms energy: -528.922459
where:
bonds (distance) C4'-P energy: -93.280
bonds (distance) P-C4' energy: -105.869
flat angles C4'-P-C4' energy: -123.474
flat angles P-C4'-P energy: -84.103
tors. eta vs tors. theta energy: -122.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1583.137162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.137162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.137162 (E_RNA)
where:
Base-Base interactions energy: -1077.702
where: short stacking energy: -458.345
Base-Backbone interact. energy: -3.388
local terms energy: -502.047588
where:
bonds (distance) C4'-P energy: -87.735
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -66.253
tors. eta vs tors. theta energy: -128.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1350.791434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.791434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.791434 (E_RNA)
where:
Base-Base interactions energy: -867.059
where: short stacking energy: -356.657
Base-Backbone interact. energy: -2.915
local terms energy: -480.817352
where:
bonds (distance) C4'-P energy: -98.023
bonds (distance) P-C4' energy: -113.366
flat angles C4'-P-C4' energy: -108.597
flat angles P-C4'-P energy: -72.280
tors. eta vs tors. theta energy: -88.551
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: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1195.852920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.852920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.852920 (E_RNA)
where:
Base-Base interactions energy: -765.278
where: short stacking energy: -327.340
Base-Backbone interact. energy: -1.079
local terms energy: -429.495738
where:
bonds (distance) C4'-P energy: -98.954
bonds (distance) P-C4' energy: -108.101
flat angles C4'-P-C4' energy: -98.266
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -72.809
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: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -939.312701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.312701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.312701 (E_RNA)
where:
Base-Base interactions energy: -560.164
where: short stacking energy: -291.498
Base-Backbone interact. energy: 1.327
local terms energy: -380.475302
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -93.883
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -63.863
tors. eta vs tors. theta energy: -44.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -569.449071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.449071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.449071 (E_RNA)
where:
Base-Base interactions energy: -235.795
where: short stacking energy: -138.747
Base-Backbone interact. energy: -1.562
local terms energy: -332.092170
where:
bonds (distance) C4'-P energy: -98.942
bonds (distance) P-C4' energy: -94.629
flat angles C4'-P-C4' energy: -86.848
flat angles P-C4'-P energy: -54.825
tors. eta vs tors. theta energy: 3.152
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: 216
Temperature: 0.900000
Total energy: -2097.015942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.015942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.015942 (E_RNA)
where:
Base-Base interactions energy: -1480.908
where: short stacking energy: -579.545
Base-Backbone interact. energy: 3.528
local terms energy: -619.635933
where:
bonds (distance) C4'-P energy: -118.685
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -131.734
flat angles P-C4'-P energy: -86.097
tors. eta vs tors. theta energy: -161.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1998.551257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.551257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.551257 (E_RNA)
where:
Base-Base interactions energy: -1371.242
where: short stacking energy: -557.906
Base-Backbone interact. energy: 2.209
local terms energy: -629.518129
where:
bonds (distance) C4'-P energy: -121.181
bonds (distance) P-C4' energy: -121.991
flat angles C4'-P-C4' energy: -127.220
flat angles P-C4'-P energy: -90.601
tors. eta vs tors. theta energy: -168.524
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1903.718452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.718452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.718452 (E_RNA)
where:
Base-Base interactions energy: -1331.429
where: short stacking energy: -536.229
Base-Backbone interact. energy: 1.110
local terms energy: -573.399075
where:
bonds (distance) C4'-P energy: -107.540
bonds (distance) P-C4' energy: -104.360
flat angles C4'-P-C4' energy: -126.567
flat angles P-C4'-P energy: -81.713
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1831.931816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.931816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.931816 (E_RNA)
where:
Base-Base interactions energy: -1280.964
where: short stacking energy: -534.764
Base-Backbone interact. energy: -3.190
local terms energy: -547.778598
where:
bonds (distance) C4'-P energy: -85.448
bonds (distance) P-C4' energy: -99.507
flat angles C4'-P-C4' energy: -128.027
flat angles P-C4'-P energy: -77.419
tors. eta vs tors. theta energy: -157.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1673.631508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.631508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.631508 (E_RNA)
where:
Base-Base interactions energy: -1129.738
where: short stacking energy: -492.650
Base-Backbone interact. energy: 3.800
local terms energy: -547.693535
where:
bonds (distance) C4'-P energy: -91.524
bonds (distance) P-C4' energy: -111.795
flat angles C4'-P-C4' energy: -112.465
flat angles P-C4'-P energy: -86.281
tors. eta vs tors. theta energy: -145.628
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: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1547.563279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.563279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.563279 (E_RNA)
where:
Base-Base interactions energy: -1018.610
where: short stacking energy: -428.911
Base-Backbone interact. energy: -2.011
local terms energy: -526.941944
where:
bonds (distance) C4'-P energy: -109.663
bonds (distance) P-C4' energy: -115.059
flat angles C4'-P-C4' energy: -116.520
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -104.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1324.334803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.334803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.334803 (E_RNA)
where:
Base-Base interactions energy: -866.739
where: short stacking energy: -374.709
Base-Backbone interact. energy: -2.820
local terms energy: -454.775754
where:
bonds (distance) C4'-P energy: -95.820
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -114.590
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -77.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1233.059607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.059607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.059607 (E_RNA)
where:
Base-Base interactions energy: -806.222
where: short stacking energy: -367.130
Base-Backbone interact. energy: -1.750
local terms energy: -425.087788
where:
bonds (distance) C4'-P energy: -100.438
bonds (distance) P-C4' energy: -88.555
flat angles C4'-P-C4' energy: -102.366
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -75.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -908.620568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.620568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.620568 (E_RNA)
where:
Base-Base interactions energy: -524.253
where: short stacking energy: -271.101
Base-Backbone interact. energy: -1.749
local terms energy: -382.618110
where:
bonds (distance) C4'-P energy: -102.571
bonds (distance) P-C4' energy: -93.823
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -62.113
tors. eta vs tors. theta energy: -47.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -581.222496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.222496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.222496 (E_RNA)
where:
Base-Base interactions energy: -252.134
where: short stacking energy: -146.368
Base-Backbone interact. energy: 1.840
local terms energy: -330.929282
where:
bonds (distance) C4'-P energy: -106.583
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -71.986
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: 12.608
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2096.580675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.580675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.580675 (E_RNA)
where:
Base-Base interactions energy: -1465.936
where: short stacking energy: -581.857
Base-Backbone interact. energy: -0.385
local terms energy: -630.260088
where:
bonds (distance) C4'-P energy: -109.942
bonds (distance) P-C4' energy: -129.798
flat angles C4'-P-C4' energy: -135.630
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -174.324
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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2007.890739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.890739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.890739 (E_RNA)
where:
Base-Base interactions energy: -1402.446
where: short stacking energy: -580.261
Base-Backbone interact. energy: -1.380
local terms energy: -604.064202
where:
bonds (distance) C4'-P energy: -104.718
bonds (distance) P-C4' energy: -99.664
flat angles C4'-P-C4' energy: -131.324
flat angles P-C4'-P energy: -89.521
tors. eta vs tors. theta energy: -178.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1881.443764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.443764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.443764 (E_RNA)
where:
Base-Base interactions energy: -1303.447
where: short stacking energy: -538.069
Base-Backbone interact. energy: -0.660
local terms energy: -577.336839
where:
bonds (distance) C4'-P energy: -101.980
bonds (distance) P-C4' energy: -106.440
flat angles C4'-P-C4' energy: -140.906
flat angles P-C4'-P energy: -78.663
tors. eta vs tors. theta energy: -149.348
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: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1847.717743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.717743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.717743 (E_RNA)
where:
Base-Base interactions energy: -1268.763
where: short stacking energy: -548.399
Base-Backbone interact. energy: -6.896
local terms energy: -572.058393
where:
bonds (distance) C4'-P energy: -108.013
bonds (distance) P-C4' energy: -112.106
flat angles C4'-P-C4' energy: -127.643
flat angles P-C4'-P energy: -79.655
tors. eta vs tors. theta energy: -144.641
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1621.420371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.420371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.420371 (E_RNA)
where:
Base-Base interactions energy: -1079.171
where: short stacking energy: -458.819
Base-Backbone interact. energy: -0.290
local terms energy: -541.958946
where:
bonds (distance) C4'-P energy: -121.587
bonds (distance) P-C4' energy: -108.948
flat angles C4'-P-C4' energy: -119.331
flat angles P-C4'-P energy: -81.200
tors. eta vs tors. theta energy: -110.894
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: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1550.999708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.999708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.999708 (E_RNA)
where:
Base-Base interactions energy: -1029.171
where: short stacking energy: -454.619
Base-Backbone interact. energy: -0.783
local terms energy: -521.045592
where:
bonds (distance) C4'-P energy: -97.929
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -121.568
flat angles P-C4'-P energy: -74.514
tors. eta vs tors. theta energy: -122.263
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: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1344.085688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.085688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.085688 (E_RNA)
where:
Base-Base interactions energy: -868.213
where: short stacking energy: -389.876
Base-Backbone interact. energy: -0.918
local terms energy: -474.955279
where:
bonds (distance) C4'-P energy: -107.341
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -115.099
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -82.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1193.814780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.814780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.814780 (E_RNA)
where:
Base-Base interactions energy: -757.201
where: short stacking energy: -344.898
Base-Backbone interact. energy: 0.416
local terms energy: -437.029471
where:
bonds (distance) C4'-P energy: -100.214
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -104.188
flat angles P-C4'-P energy: -56.986
tors. eta vs tors. theta energy: -69.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -912.567356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.567356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.567356 (E_RNA)
where:
Base-Base interactions energy: -516.992
where: short stacking energy: -232.162
Base-Backbone interact. energy: -1.849
local terms energy: -393.726548
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -107.566
flat angles C4'-P-C4' energy: -104.717
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -552.762568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.762568 (E_RNA)
where:
Base-Base interactions energy: -235.155
where: short stacking energy: -150.745
Base-Backbone interact. energy: 0.641
local terms energy: -318.248459
where:
bonds (distance) C4'-P energy: -100.170
bonds (distance) P-C4' energy: -110.619
flat angles C4'-P-C4' energy: -95.386
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: 14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2080.647212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.647212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.647212 (E_RNA)
where:
Base-Base interactions energy: -1448.936
where: short stacking energy: -579.051
Base-Backbone interact. energy: -0.779
local terms energy: -630.932729
where:
bonds (distance) C4'-P energy: -114.248
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -123.135
flat angles P-C4'-P energy: -99.782
tors. eta vs tors. theta energy: -173.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1984.028065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.028065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.028065 (E_RNA)
where:
Base-Base interactions energy: -1380.557
where: short stacking energy: -573.782
Base-Backbone interact. energy: -0.916
local terms energy: -602.555419
where:
bonds (distance) C4'-P energy: -115.741
bonds (distance) P-C4' energy: -107.166
flat angles C4'-P-C4' energy: -131.039
flat angles P-C4'-P energy: -83.530
tors. eta vs tors. theta energy: -165.080
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: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1937.363208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.363208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.363208 (E_RNA)
where:
Base-Base interactions energy: -1340.932
where: short stacking energy: -556.847
Base-Backbone interact. energy: 2.002
local terms energy: -598.433007
where:
bonds (distance) C4'-P energy: -108.273
bonds (distance) P-C4' energy: -114.840
flat angles C4'-P-C4' energy: -128.274
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -149.862
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: 218
Temperature: 1.050000
Total energy: -1824.762240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.762240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.762240 (E_RNA)
where:
Base-Base interactions energy: -1317.739
where: short stacking energy: -508.639
Base-Backbone interact. energy: -0.106
local terms energy: -506.917005
where:
bonds (distance) C4'-P energy: -85.164
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -107.156
flat angles P-C4'-P energy: -81.723
tors. eta vs tors. theta energy: -129.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1620.154700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.154700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.154700 (E_RNA)
where:
Base-Base interactions energy: -1112.602
where: short stacking energy: -481.179
Base-Backbone interact. energy: 1.005
local terms energy: -508.557425
where:
bonds (distance) C4'-P energy: -100.222
bonds (distance) P-C4' energy: -102.330
flat angles C4'-P-C4' energy: -124.170
flat angles P-C4'-P energy: -57.683
tors. eta vs tors. theta energy: -124.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1551.819767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.819767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.819767 (E_RNA)
where:
Base-Base interactions energy: -1039.983
where: short stacking energy: -425.110
Base-Backbone interact. energy: -1.159
local terms energy: -510.677996
where:
bonds (distance) C4'-P energy: -96.139
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -121.417
flat angles P-C4'-P energy: -73.352
tors. eta vs tors. theta energy: -114.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1325.060248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.060248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.060248 (E_RNA)
where:
Base-Base interactions energy: -848.221
where: short stacking energy: -380.321
Base-Backbone interact. energy: -0.850
local terms energy: -475.989620
where:
bonds (distance) C4'-P energy: -103.711
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -113.918
flat angles P-C4'-P energy: -60.081
tors. eta vs tors. theta energy: -92.203
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1207.785585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.785585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.785585 (E_RNA)
where:
Base-Base interactions energy: -782.117
where: short stacking energy: -335.969
Base-Backbone interact. energy: -3.431
local terms energy: -422.237040
where:
bonds (distance) C4'-P energy: -100.119
bonds (distance) P-C4' energy: -81.504
flat angles C4'-P-C4' energy: -102.884
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: -75.392
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -893.636058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.636058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.636058 (E_RNA)
where:
Base-Base interactions energy: -534.544
where: short stacking energy: -268.769
Base-Backbone interact. energy: 2.399
local terms energy: -361.491551
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -94.228
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -36.420
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -572.200544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.200544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.200544 (E_RNA)
where:
Base-Base interactions energy: -268.622
where: short stacking energy: -187.393
Base-Backbone interact. energy: 4.732
local terms energy: -308.310312
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -90.830
flat angles C4'-P-C4' energy: -93.690
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -7.603
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: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2089.368148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.368148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.368148 (E_RNA)
where:
Base-Base interactions energy: -1469.195
where: short stacking energy: -607.959
Base-Backbone interact. energy: -2.099
local terms energy: -618.073879
where:
bonds (distance) C4'-P energy: -119.143
bonds (distance) P-C4' energy: -111.768
flat angles C4'-P-C4' energy: -138.760
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -169.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1997.351754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.351754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.351754 (E_RNA)
where:
Base-Base interactions energy: -1396.570
where: short stacking energy: -585.817
Base-Backbone interact. energy: -0.540
local terms energy: -600.241165
where:
bonds (distance) C4'-P energy: -101.629
bonds (distance) P-C4' energy: -107.897
flat angles C4'-P-C4' energy: -128.419
flat angles P-C4'-P energy: -82.519
tors. eta vs tors. theta energy: -179.778
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: 219
Temperature: 1.000000
Total energy: -1896.983132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.983132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.983132 (E_RNA)
where:
Base-Base interactions energy: -1311.949
where: short stacking energy: -540.984
Base-Backbone interact. energy: -1.168
local terms energy: -583.865597
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -126.091
flat angles C4'-P-C4' energy: -116.764
flat angles P-C4'-P energy: -81.513
tors. eta vs tors. theta energy: -152.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1857.563721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.563721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.563721 (E_RNA)
where:
Base-Base interactions energy: -1289.713
where: short stacking energy: -526.590
Base-Backbone interact. energy: -4.127
local terms energy: -563.723960
where:
bonds (distance) C4'-P energy: -108.700
bonds (distance) P-C4' energy: -111.624
flat angles C4'-P-C4' energy: -119.031
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -149.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1616.645900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.645900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.645900 (E_RNA)
where:
Base-Base interactions energy: -1099.562
where: short stacking energy: -467.652
Base-Backbone interact. energy: 0.205
local terms energy: -517.288849
where:
bonds (distance) C4'-P energy: -105.381
bonds (distance) P-C4' energy: -93.075
flat angles C4'-P-C4' energy: -112.757
flat angles P-C4'-P energy: -80.441
tors. eta vs tors. theta energy: -125.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1587.096073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.096073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.096073 (E_RNA)
where:
Base-Base interactions energy: -1082.094
where: short stacking energy: -454.589
Base-Backbone interact. energy: -1.087
local terms energy: -503.915122
where:
bonds (distance) C4'-P energy: -93.842
bonds (distance) P-C4' energy: -112.990
flat angles C4'-P-C4' energy: -104.363
flat angles P-C4'-P energy: -76.813
tors. eta vs tors. theta energy: -115.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1394.788235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.788235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.788235 (E_RNA)
where:
Base-Base interactions energy: -927.759
where: short stacking energy: -420.170
Base-Backbone interact. energy: -3.320
local terms energy: -463.708933
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -97.148
flat angles C4'-P-C4' energy: -104.225
flat angles P-C4'-P energy: -67.662
tors. eta vs tors. theta energy: -103.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1210.919994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.919994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.919994 (E_RNA)
where:
Base-Base interactions energy: -765.028
where: short stacking energy: -334.521
Base-Backbone interact. energy: -1.633
local terms energy: -444.259841
where:
bonds (distance) C4'-P energy: -94.739
bonds (distance) P-C4' energy: -101.884
flat angles C4'-P-C4' energy: -114.975
flat angles P-C4'-P energy: -68.174
tors. eta vs tors. theta energy: -64.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -909.633428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.633428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.633428 (E_RNA)
where:
Base-Base interactions energy: -538.069
where: short stacking energy: -257.334
Base-Backbone interact. energy: -2.015
local terms energy: -369.549130
where:
bonds (distance) C4'-P energy: -86.721
bonds (distance) P-C4' energy: -103.641
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -60.575
tors. eta vs tors. theta energy: -35.613
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: 219
Temperature: 1.350000
Total energy: -559.996651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.996651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.996651 (E_RNA)
where:
Base-Base interactions energy: -245.032
where: short stacking energy: -158.244
Base-Backbone interact. energy: 4.127
local terms energy: -319.091470
where:
bonds (distance) C4'-P energy: -87.914
bonds (distance) P-C4' energy: -106.152
flat angles C4'-P-C4' energy: -84.876
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: 7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2066.326453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.326453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.326453 (E_RNA)
where:
Base-Base interactions energy: -1457.674
where: short stacking energy: -577.264
Base-Backbone interact. energy: 0.027
local terms energy: -608.679006
where:
bonds (distance) C4'-P energy: -112.018
bonds (distance) P-C4' energy: -122.768
flat angles C4'-P-C4' energy: -125.564
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -161.363
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: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1962.699880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.699880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.699880 (E_RNA)
where:
Base-Base interactions energy: -1357.537
where: short stacking energy: -547.202
Base-Backbone interact. energy: -5.826
local terms energy: -599.337291
where:
bonds (distance) C4'-P energy: -116.302
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -129.662
flat angles P-C4'-P energy: -90.206
tors. eta vs tors. theta energy: -152.488
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: 220
Temperature: 1.000000
Total energy: -1906.864847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.864847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.864847 (E_RNA)
where:
Base-Base interactions energy: -1338.538
where: short stacking energy: -536.092
Base-Backbone interact. energy: -3.558
local terms energy: -564.769386
where:
bonds (distance) C4'-P energy: -103.791
bonds (distance) P-C4' energy: -110.415
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -69.567
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: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1823.093741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.093741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.093741 (E_RNA)
where:
Base-Base interactions energy: -1269.279
where: short stacking energy: -503.285
Base-Backbone interact. energy: 1.128
local terms energy: -554.943185
where:
bonds (distance) C4'-P energy: -101.026
bonds (distance) P-C4' energy: -112.190
flat angles C4'-P-C4' energy: -118.194
flat angles P-C4'-P energy: -82.422
tors. eta vs tors. theta energy: -141.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1634.124294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.124294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.124294 (E_RNA)
where:
Base-Base interactions energy: -1096.101
where: short stacking energy: -462.745
Base-Backbone interact. energy: -1.820
local terms energy: -536.203065
where:
bonds (distance) C4'-P energy: -101.350
bonds (distance) P-C4' energy: -114.931
flat angles C4'-P-C4' energy: -122.457
flat angles P-C4'-P energy: -75.365
tors. eta vs tors. theta energy: -122.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1601.996922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.996922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.996922 (E_RNA)
where:
Base-Base interactions energy: -1082.744
where: short stacking energy: -467.863
Base-Backbone interact. energy: -2.238
local terms energy: -517.014522
where:
bonds (distance) C4'-P energy: -96.024
bonds (distance) P-C4' energy: -110.553
flat angles C4'-P-C4' energy: -112.538
flat angles P-C4'-P energy: -80.094
tors. eta vs tors. theta energy: -117.805
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: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1354.460952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.460952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.460952 (E_RNA)
where:
Base-Base interactions energy: -883.198
where: short stacking energy: -392.369
Base-Backbone interact. energy: 5.788
local terms energy: -477.050648
where:
bonds (distance) C4'-P energy: -99.199
bonds (distance) P-C4' energy: -112.211
flat angles C4'-P-C4' energy: -99.457
flat angles P-C4'-P energy: -64.502
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1219.356127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.356127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.356127 (E_RNA)
where:
Base-Base interactions energy: -786.431
where: short stacking energy: -364.482
Base-Backbone interact. energy: -0.936
local terms energy: -431.989155
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -114.318
flat angles C4'-P-C4' energy: -98.183
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -97.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -910.207449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.207449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.207449 (E_RNA)
where:
Base-Base interactions energy: -524.431
where: short stacking energy: -256.748
Base-Backbone interact. energy: 0.940
local terms energy: -386.715628
where:
bonds (distance) C4'-P energy: -87.804
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -100.091
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -567.345096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.345096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.345096 (E_RNA)
where:
Base-Base interactions energy: -237.445
where: short stacking energy: -150.202
Base-Backbone interact. energy: -2.574
local terms energy: -327.325987
where:
bonds (distance) C4'-P energy: -93.898
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -83.644
flat angles P-C4'-P energy: -60.545
tors. eta vs tors. theta energy: 9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2083.306943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.306943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.306943 (E_RNA)
where:
Base-Base interactions energy: -1447.393
where: short stacking energy: -566.923
Base-Backbone interact. energy: -1.273
local terms energy: -634.640255
where:
bonds (distance) C4'-P energy: -129.640
bonds (distance) P-C4' energy: -123.719
flat angles C4'-P-C4' energy: -124.704
flat angles P-C4'-P energy: -89.134
tors. eta vs tors. theta energy: -167.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1969.045134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.045134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.045134 (E_RNA)
where:
Base-Base interactions energy: -1358.410
where: short stacking energy: -561.130
Base-Backbone interact. energy: 0.061
local terms energy: -610.695936
where:
bonds (distance) C4'-P energy: -117.950
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -112.373
flat angles P-C4'-P energy: -93.624
tors. eta vs tors. theta energy: -164.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1890.037993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.037993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.037993 (E_RNA)
where:
Base-Base interactions energy: -1317.627
where: short stacking energy: -541.313
Base-Backbone interact. energy: -1.496
local terms energy: -570.915776
where:
bonds (distance) C4'-P energy: -104.205
bonds (distance) P-C4' energy: -106.863
flat angles C4'-P-C4' energy: -120.169
flat angles P-C4'-P energy: -86.462
tors. eta vs tors. theta energy: -153.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1828.588925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.588925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.588925 (E_RNA)
where:
Base-Base interactions energy: -1269.686
where: short stacking energy: -512.551
Base-Backbone interact. energy: -3.481
local terms energy: -555.422155
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -114.354
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -147.292
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: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1624.662896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.662896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.662896 (E_RNA)
where:
Base-Base interactions energy: -1086.991
where: short stacking energy: -460.368
Base-Backbone interact. energy: -0.466
local terms energy: -537.205820
where:
bonds (distance) C4'-P energy: -100.827
bonds (distance) P-C4' energy: -110.656
flat angles C4'-P-C4' energy: -121.153
flat angles P-C4'-P energy: -74.748
tors. eta vs tors. theta energy: -129.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1571.529333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.529333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.529333 (E_RNA)
where:
Base-Base interactions energy: -1061.089
where: short stacking energy: -446.216
Base-Backbone interact. energy: -3.130
local terms energy: -507.310807
where:
bonds (distance) C4'-P energy: -93.384
bonds (distance) P-C4' energy: -106.991
flat angles C4'-P-C4' energy: -116.938
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -115.552
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1369.873308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.873308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.873308 (E_RNA)
where:
Base-Base interactions energy: -902.198
where: short stacking energy: -394.069
Base-Backbone interact. energy: -1.335
local terms energy: -466.339591
where:
bonds (distance) C4'-P energy: -107.125
bonds (distance) P-C4' energy: -96.821
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -100.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1257.878293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.878293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.878293 (E_RNA)
where:
Base-Base interactions energy: -839.832
where: short stacking energy: -343.070
Base-Backbone interact. energy: -0.678
local terms energy: -417.368490
where:
bonds (distance) C4'-P energy: -103.613
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -105.491
flat angles P-C4'-P energy: -44.788
tors. eta vs tors. theta energy: -67.835
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: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -877.319123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.319123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.319123 (E_RNA)
where:
Base-Base interactions energy: -536.742
where: short stacking energy: -279.524
Base-Backbone interact. energy: -0.741
local terms energy: -339.836238
where:
bonds (distance) C4'-P energy: -82.557
bonds (distance) P-C4' energy: -84.659
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -50.717
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -586.373552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.373552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.373552 (E_RNA)
where:
Base-Base interactions energy: -272.084
where: short stacking energy: -162.982
Base-Backbone interact. energy: -0.419
local terms energy: -313.870941
where:
bonds (distance) C4'-P energy: -80.968
bonds (distance) P-C4' energy: -107.900
flat angles C4'-P-C4' energy: -95.402
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: 12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2113.212280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.212280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.212280 (E_RNA)
where:
Base-Base interactions energy: -1485.093
where: short stacking energy: -577.965
Base-Backbone interact. energy: -2.457
local terms energy: -625.661571
where:
bonds (distance) C4'-P energy: -116.887
bonds (distance) P-C4' energy: -122.474
flat angles C4'-P-C4' energy: -129.595
flat angles P-C4'-P energy: -90.967
tors. eta vs tors. theta energy: -165.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1976.577934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.577934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.577934 (E_RNA)
where:
Base-Base interactions energy: -1370.459
where: short stacking energy: -577.740
Base-Backbone interact. energy: -4.041
local terms energy: -602.078658
where:
bonds (distance) C4'-P energy: -116.365
bonds (distance) P-C4' energy: -116.739
flat angles C4'-P-C4' energy: -131.375
flat angles P-C4'-P energy: -73.218
tors. eta vs tors. theta energy: -164.381
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: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1869.396068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.396068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.396068 (E_RNA)
where:
Base-Base interactions energy: -1292.662
where: short stacking energy: -502.567
Base-Backbone interact. energy: -5.012
local terms energy: -571.722145
where:
bonds (distance) C4'-P energy: -103.207
bonds (distance) P-C4' energy: -114.132
flat angles C4'-P-C4' energy: -116.984
flat angles P-C4'-P energy: -91.240
tors. eta vs tors. theta energy: -146.161
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: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1848.709606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.709606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.709606 (E_RNA)
where:
Base-Base interactions energy: -1256.092
where: short stacking energy: -507.097
Base-Backbone interact. energy: -3.763
local terms energy: -588.853936
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -123.176
flat angles P-C4'-P energy: -74.526
tors. eta vs tors. theta energy: -155.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1640.461038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.461038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.461038 (E_RNA)
where:
Base-Base interactions energy: -1113.611
where: short stacking energy: -467.669
Base-Backbone interact. energy: -1.277
local terms energy: -525.573054
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -104.934
flat angles C4'-P-C4' energy: -105.321
flat angles P-C4'-P energy: -87.357
tors. eta vs tors. theta energy: -110.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1535.196074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.196074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.196074 (E_RNA)
where:
Base-Base interactions energy: -1059.254
where: short stacking energy: -473.626
Base-Backbone interact. energy: -0.463
local terms energy: -475.479186
where:
bonds (distance) C4'-P energy: -94.701
bonds (distance) P-C4' energy: -88.865
flat angles C4'-P-C4' energy: -111.033
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: -109.250
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: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1387.561308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.561308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.561308 (E_RNA)
where:
Base-Base interactions energy: -935.789
where: short stacking energy: -388.804
Base-Backbone interact. energy: -0.886
local terms energy: -450.886254
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -103.678
flat angles C4'-P-C4' energy: -111.013
flat angles P-C4'-P energy: -60.563
tors. eta vs tors. theta energy: -95.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1237.891326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.891326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.891326 (E_RNA)
where:
Base-Base interactions energy: -788.328
where: short stacking energy: -358.565
Base-Backbone interact. energy: -2.423
local terms energy: -447.140569
where:
bonds (distance) C4'-P energy: -85.333
bonds (distance) P-C4' energy: -108.534
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -86.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -897.142633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.142633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.142633 (E_RNA)
where:
Base-Base interactions energy: -544.371
where: short stacking energy: -254.920
Base-Backbone interact. energy: -2.116
local terms energy: -350.655406
where:
bonds (distance) C4'-P energy: -90.467
bonds (distance) P-C4' energy: -86.996
flat angles C4'-P-C4' energy: -102.111
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -36.746
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: 222
Temperature: 1.350000
Total energy: -565.177222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.177222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.177222 (E_RNA)
where:
Base-Base interactions energy: -277.783
where: short stacking energy: -166.991
Base-Backbone interact. energy: -3.161
local terms energy: -284.233604
where:
bonds (distance) C4'-P energy: -84.989
bonds (distance) P-C4' energy: -89.287
flat angles C4'-P-C4' energy: -89.257
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: 10.837
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: 223
Temperature: 0.900000
Total energy: -2090.916282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.916282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.916282 (E_RNA)
where:
Base-Base interactions energy: -1461.647
where: short stacking energy: -577.452
Base-Backbone interact. energy: -1.288
local terms energy: -627.980604
where:
bonds (distance) C4'-P energy: -115.459
bonds (distance) P-C4' energy: -121.048
flat angles C4'-P-C4' energy: -127.034
flat angles P-C4'-P energy: -95.095
tors. eta vs tors. theta energy: -169.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1986.138920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.138920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.138920 (E_RNA)
where:
Base-Base interactions energy: -1408.526
where: short stacking energy: -591.358
Base-Backbone interact. energy: 6.153
local terms energy: -583.765910
where:
bonds (distance) C4'-P energy: -100.469
bonds (distance) P-C4' energy: -103.150
flat angles C4'-P-C4' energy: -125.480
flat angles P-C4'-P energy: -95.501
tors. eta vs tors. theta energy: -159.165
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: 223
Temperature: 1.000000
Total energy: -1873.538977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.538977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.538977 (E_RNA)
where:
Base-Base interactions energy: -1298.027
where: short stacking energy: -540.776
Base-Backbone interact. energy: -2.824
local terms energy: -572.688359
where:
bonds (distance) C4'-P energy: -102.146
bonds (distance) P-C4' energy: -112.703
flat angles C4'-P-C4' energy: -125.586
flat angles P-C4'-P energy: -80.674
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: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1835.766031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.766031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.766031 (E_RNA)
where:
Base-Base interactions energy: -1277.826
where: short stacking energy: -506.488
Base-Backbone interact. energy: -0.200
local terms energy: -557.740071
where:
bonds (distance) C4'-P energy: -103.969
bonds (distance) P-C4' energy: -104.942
flat angles C4'-P-C4' energy: -117.065
flat angles P-C4'-P energy: -87.498
tors. eta vs tors. theta energy: -144.265
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1579.957174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.957174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.957174 (E_RNA)
where:
Base-Base interactions energy: -1065.744
where: short stacking energy: -431.347
Base-Backbone interact. energy: -1.482
local terms energy: -512.731193
where:
bonds (distance) C4'-P energy: -95.786
bonds (distance) P-C4' energy: -105.416
flat angles C4'-P-C4' energy: -119.781
flat angles P-C4'-P energy: -71.439
tors. eta vs tors. theta energy: -120.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1532.089728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.089728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.089728 (E_RNA)
where:
Base-Base interactions energy: -1039.802
where: short stacking energy: -445.421
Base-Backbone interact. energy: 1.102
local terms energy: -493.389496
where:
bonds (distance) C4'-P energy: -99.779
bonds (distance) P-C4' energy: -116.491
flat angles C4'-P-C4' energy: -99.330
flat angles P-C4'-P energy: -75.996
tors. eta vs tors. theta energy: -101.794
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: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1390.142764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.142764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.142764 (E_RNA)
where:
Base-Base interactions energy: -922.587
where: short stacking energy: -400.917
Base-Backbone interact. energy: -2.621
local terms energy: -464.934878
where:
bonds (distance) C4'-P energy: -97.352
bonds (distance) P-C4' energy: -106.903
flat angles C4'-P-C4' energy: -102.670
flat angles P-C4'-P energy: -57.108
tors. eta vs tors. theta energy: -100.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1224.418693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.418693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.418693 (E_RNA)
where:
Base-Base interactions energy: -804.273
where: short stacking energy: -348.702
Base-Backbone interact. energy: -1.999
local terms energy: -418.147208
where:
bonds (distance) C4'-P energy: -95.672
bonds (distance) P-C4' energy: -108.920
flat angles C4'-P-C4' energy: -85.779
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -62.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -924.633328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.633328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.633328 (E_RNA)
where:
Base-Base interactions energy: -548.885
where: short stacking energy: -247.774
Base-Backbone interact. energy: -2.086
local terms energy: -373.662884
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -98.868
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -528.116000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.116000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.116000 (E_RNA)
where:
Base-Base interactions energy: -225.768
where: short stacking energy: -133.342
Base-Backbone interact. energy: -0.745
local terms energy: -301.602959
where:
bonds (distance) C4'-P energy: -101.798
bonds (distance) P-C4' energy: -93.219
flat angles C4'-P-C4' energy: -103.525
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: 27.880
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: 224
Temperature: 0.900000
Total energy: -2088.593910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.593910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.593910 (E_RNA)
where:
Base-Base interactions energy: -1454.061
where: short stacking energy: -591.255
Base-Backbone interact. energy: -1.271
local terms energy: -633.262340
where:
bonds (distance) C4'-P energy: -132.884
bonds (distance) P-C4' energy: -114.942
flat angles C4'-P-C4' energy: -133.950
flat angles P-C4'-P energy: -93.383
tors. eta vs tors. theta energy: -158.103
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: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2006.746998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.746998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.746998 (E_RNA)
where:
Base-Base interactions energy: -1380.649
where: short stacking energy: -559.822
Base-Backbone interact. energy: -5.329
local terms energy: -620.769911
where:
bonds (distance) C4'-P energy: -114.576
bonds (distance) P-C4' energy: -119.534
flat angles C4'-P-C4' energy: -131.437
flat angles P-C4'-P energy: -92.020
tors. eta vs tors. theta energy: -163.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1874.353940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.353940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.353940 (E_RNA)
where:
Base-Base interactions energy: -1290.007
where: short stacking energy: -529.471
Base-Backbone interact. energy: -5.018
local terms energy: -579.329424
where:
bonds (distance) C4'-P energy: -113.830
bonds (distance) P-C4' energy: -109.994
flat angles C4'-P-C4' energy: -121.653
flat angles P-C4'-P energy: -92.612
tors. eta vs tors. theta energy: -141.241
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: 224
Temperature: 1.050000
Total energy: -1836.974595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.974595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.974595 (E_RNA)
where:
Base-Base interactions energy: -1278.181
where: short stacking energy: -537.499
Base-Backbone interact. energy: -5.443
local terms energy: -553.350033
where:
bonds (distance) C4'-P energy: -96.471
bonds (distance) P-C4' energy: -119.416
flat angles C4'-P-C4' energy: -111.767
flat angles P-C4'-P energy: -80.628
tors. eta vs tors. theta energy: -145.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1592.309775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.309775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.309775 (E_RNA)
where:
Base-Base interactions energy: -1082.297
where: short stacking energy: -454.597
Base-Backbone interact. energy: -1.407
local terms energy: -508.605335
where:
bonds (distance) C4'-P energy: -101.420
bonds (distance) P-C4' energy: -82.588
flat angles C4'-P-C4' energy: -120.695
flat angles P-C4'-P energy: -80.020
tors. eta vs tors. theta energy: -123.882
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: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1569.108636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.108636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.108636 (E_RNA)
where:
Base-Base interactions energy: -1075.129
where: short stacking energy: -451.713
Base-Backbone interact. energy: 1.265
local terms energy: -495.243904
where:
bonds (distance) C4'-P energy: -92.913
bonds (distance) P-C4' energy: -99.432
flat angles C4'-P-C4' energy: -109.489
flat angles P-C4'-P energy: -70.396
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: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1383.416494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.416494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.416494 (E_RNA)
where:
Base-Base interactions energy: -932.543
where: short stacking energy: -402.759
Base-Backbone interact. energy: 8.490
local terms energy: -459.363220
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -91.709
flat angles C4'-P-C4' energy: -104.037
flat angles P-C4'-P energy: -74.593
tors. eta vs tors. theta energy: -95.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1240.289013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.289013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.289013 (E_RNA)
where:
Base-Base interactions energy: -793.540
where: short stacking energy: -329.352
Base-Backbone interact. energy: -1.218
local terms energy: -445.530624
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -109.702
flat angles C4'-P-C4' energy: -101.025
flat angles P-C4'-P energy: -72.226
tors. eta vs tors. theta energy: -73.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -919.616502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.616502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.616502 (E_RNA)
where:
Base-Base interactions energy: -549.698
where: short stacking energy: -271.947
Base-Backbone interact. energy: -0.604
local terms energy: -369.313892
where:
bonds (distance) C4'-P energy: -96.984
bonds (distance) P-C4' energy: -99.284
flat angles C4'-P-C4' energy: -98.026
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -35.965
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: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -510.779304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.779304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.779304 (E_RNA)
where:
Base-Base interactions energy: -184.358
where: short stacking energy: -129.214
Base-Backbone interact. energy: 5.008
local terms energy: -331.429472
where:
bonds (distance) C4'-P energy: -96.042
bonds (distance) P-C4' energy: -107.837
flat angles C4'-P-C4' energy: -88.739
flat angles P-C4'-P energy: -47.873
tors. eta vs tors. theta energy: 9.060
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: 225
Temperature: 0.900000
Total energy: -2088.231916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.231916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.231916 (E_RNA)
where:
Base-Base interactions energy: -1491.274
where: short stacking energy: -562.962
Base-Backbone interact. energy: -1.928
local terms energy: -595.030378
where:
bonds (distance) C4'-P energy: -115.822
bonds (distance) P-C4' energy: -113.929
flat angles C4'-P-C4' energy: -128.775
flat angles P-C4'-P energy: -85.062
tors. eta vs tors. theta energy: -151.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2009.528980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.528980 (E_RNA)
where:
Base-Base interactions energy: -1407.487
where: short stacking energy: -570.003
Base-Backbone interact. energy: -3.705
local terms energy: -598.336901
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -131.707
flat angles C4'-P-C4' energy: -125.682
flat angles P-C4'-P energy: -82.955
tors. eta vs tors. theta energy: -154.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1872.155608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.155608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.155608 (E_RNA)
where:
Base-Base interactions energy: -1297.570
where: short stacking energy: -509.738
Base-Backbone interact. energy: -3.436
local terms energy: -571.149311
where:
bonds (distance) C4'-P energy: -105.166
bonds (distance) P-C4' energy: -113.623
flat angles C4'-P-C4' energy: -127.434
flat angles P-C4'-P energy: -82.369
tors. eta vs tors. theta energy: -142.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1820.106724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.106724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.106724 (E_RNA)
where:
Base-Base interactions energy: -1289.195
where: short stacking energy: -539.449
Base-Backbone interact. energy: -5.871
local terms energy: -525.040549
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -100.231
flat angles C4'-P-C4' energy: -113.434
flat angles P-C4'-P energy: -76.033
tors. eta vs tors. theta energy: -139.710
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: 225
Temperature: 1.100000
Total energy: -1672.587802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.587802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.587802 (E_RNA)
where:
Base-Base interactions energy: -1110.521
where: short stacking energy: -471.763
Base-Backbone interact. energy: -2.461
local terms energy: -559.605574
where:
bonds (distance) C4'-P energy: -115.439
bonds (distance) P-C4' energy: -128.276
flat angles C4'-P-C4' energy: -113.738
flat angles P-C4'-P energy: -75.200
tors. eta vs tors. theta energy: -126.953
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: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1561.215297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.215297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.215297 (E_RNA)
where:
Base-Base interactions energy: -1058.631
where: short stacking energy: -432.153
Base-Backbone interact. energy: -0.197
local terms energy: -502.387450
where:
bonds (distance) C4'-P energy: -102.219
bonds (distance) P-C4' energy: -98.266
flat angles C4'-P-C4' energy: -116.949
flat angles P-C4'-P energy: -77.451
tors. eta vs tors. theta energy: -107.502
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: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1421.763778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.763778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.763778 (E_RNA)
where:
Base-Base interactions energy: -930.992
where: short stacking energy: -387.351
Base-Backbone interact. energy: -1.036
local terms energy: -489.736029
where:
bonds (distance) C4'-P energy: -103.420
bonds (distance) P-C4' energy: -102.643
flat angles C4'-P-C4' energy: -108.671
flat angles P-C4'-P energy: -81.852
tors. eta vs tors. theta energy: -93.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1241.397443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.397443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.397443 (E_RNA)
where:
Base-Base interactions energy: -809.170
where: short stacking energy: -357.197
Base-Backbone interact. energy: 0.241
local terms energy: -432.468919
where:
bonds (distance) C4'-P energy: -88.311
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -72.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -936.780940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.780940 (E_RNA)
where:
Base-Base interactions energy: -565.427
where: short stacking energy: -276.741
Base-Backbone interact. energy: 0.522
local terms energy: -371.875748
where:
bonds (distance) C4'-P energy: -87.220
bonds (distance) P-C4' energy: -91.252
flat angles C4'-P-C4' energy: -95.160
flat angles P-C4'-P energy: -60.229
tors. eta vs tors. theta energy: -38.014
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: 225
Temperature: 1.350000
Total energy: -486.400130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.400130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.400130 (E_RNA)
where:
Base-Base interactions energy: -170.344
where: short stacking energy: -163.268
Base-Backbone interact. energy: 1.200
local terms energy: -317.256375
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -103.804
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -62.894
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2059.071108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.071108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.071108 (E_RNA)
where:
Base-Base interactions energy: -1462.621
where: short stacking energy: -570.032
Base-Backbone interact. energy: -3.695
local terms energy: -592.755598
where:
bonds (distance) C4'-P energy: -111.067
bonds (distance) P-C4' energy: -114.203
flat angles C4'-P-C4' energy: -119.828
flat angles P-C4'-P energy: -93.540
tors. eta vs tors. theta energy: -154.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1991.687758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.687758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.687758 (E_RNA)
where:
Base-Base interactions energy: -1386.434
where: short stacking energy: -551.621
Base-Backbone interact. energy: -3.351
local terms energy: -601.903414
where:
bonds (distance) C4'-P energy: -112.609
bonds (distance) P-C4' energy: -120.993
flat angles C4'-P-C4' energy: -124.765
flat angles P-C4'-P energy: -77.225
tors. eta vs tors. theta energy: -166.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1916.008278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.008278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.008278 (E_RNA)
where:
Base-Base interactions energy: -1332.335
where: short stacking energy: -538.888
Base-Backbone interact. energy: -2.478
local terms energy: -581.195560
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -121.707
flat angles P-C4'-P energy: -85.842
tors. eta vs tors. theta energy: -155.204
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: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1826.288392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.288392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.288392 (E_RNA)
where:
Base-Base interactions energy: -1255.243
where: short stacking energy: -498.096
Base-Backbone interact. energy: -1.101
local terms energy: -569.944738
where:
bonds (distance) C4'-P energy: -100.358
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -123.620
flat angles P-C4'-P energy: -88.362
tors. eta vs tors. theta energy: -144.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1595.911660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.911660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.911660 (E_RNA)
where:
Base-Base interactions energy: -1085.452
where: short stacking energy: -460.616
Base-Backbone interact. energy: -3.812
local terms energy: -506.647480
where:
bonds (distance) C4'-P energy: -98.279
bonds (distance) P-C4' energy: -90.155
flat angles C4'-P-C4' energy: -116.011
flat angles P-C4'-P energy: -85.101
tors. eta vs tors. theta energy: -117.102
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1592.813825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.813825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.813825 (E_RNA)
where:
Base-Base interactions energy: -1094.452
where: short stacking energy: -452.613
Base-Backbone interact. energy: -2.644
local terms energy: -495.717772
where:
bonds (distance) C4'-P energy: -90.217
bonds (distance) P-C4' energy: -111.691
flat angles C4'-P-C4' energy: -109.645
flat angles P-C4'-P energy: -70.480
tors. eta vs tors. theta energy: -113.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1408.790797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.790797 (E_RNA)
where:
Base-Base interactions energy: -939.170
where: short stacking energy: -391.333
Base-Backbone interact. energy: -2.240
local terms energy: -467.380610
where:
bonds (distance) C4'-P energy: -97.380
bonds (distance) P-C4' energy: -80.958
flat angles C4'-P-C4' energy: -112.529
flat angles P-C4'-P energy: -77.482
tors. eta vs tors. theta energy: -99.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1233.046054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.046054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.046054 (E_RNA)
where:
Base-Base interactions energy: -798.942
where: short stacking energy: -342.310
Base-Backbone interact. energy: -1.026
local terms energy: -433.078258
where:
bonds (distance) C4'-P energy: -105.031
bonds (distance) P-C4' energy: -89.993
flat angles C4'-P-C4' energy: -106.729
flat angles P-C4'-P energy: -54.697
tors. eta vs tors. theta energy: -76.628
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: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -936.548103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.548103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.548103 (E_RNA)
where:
Base-Base interactions energy: -572.949
where: short stacking energy: -273.592
Base-Backbone interact. energy: 6.120
local terms energy: -369.718746
where:
bonds (distance) C4'-P energy: -90.007
bonds (distance) P-C4' energy: -94.142
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: -40.016
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: 226
Temperature: 1.350000
Total energy: -452.113478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.113478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.113478 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -137.509
Base-Backbone interact. energy: -0.402
local terms energy: -300.186367
where:
bonds (distance) C4'-P energy: -81.872
bonds (distance) P-C4' energy: -111.291
flat angles C4'-P-C4' energy: -73.443
flat angles P-C4'-P energy: -49.071
tors. eta vs tors. theta energy: 15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2080.720355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.720355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.720355 (E_RNA)
where:
Base-Base interactions energy: -1463.302
where: short stacking energy: -562.547
Base-Backbone interact. energy: -3.544
local terms energy: -613.874458
where:
bonds (distance) C4'-P energy: -116.305
bonds (distance) P-C4' energy: -134.359
flat angles C4'-P-C4' energy: -132.068
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -153.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2020.545930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.545930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.545930 (E_RNA)
where:
Base-Base interactions energy: -1428.937
where: short stacking energy: -592.443
Base-Backbone interact. energy: 2.639
local terms energy: -594.248140
where:
bonds (distance) C4'-P energy: -106.957
bonds (distance) P-C4' energy: -104.960
flat angles C4'-P-C4' energy: -126.558
flat angles P-C4'-P energy: -90.450
tors. eta vs tors. theta energy: -165.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1900.764130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.764130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.764130 (E_RNA)
where:
Base-Base interactions energy: -1326.286
where: short stacking energy: -526.622
Base-Backbone interact. energy: -3.219
local terms energy: -571.258760
where:
bonds (distance) C4'-P energy: -113.677
bonds (distance) P-C4' energy: -111.702
flat angles C4'-P-C4' energy: -125.640
flat angles P-C4'-P energy: -71.509
tors. eta vs tors. theta energy: -148.729
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: 227
Temperature: 1.050000
Total energy: -1805.950898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.950898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.950898 (E_RNA)
where:
Base-Base interactions energy: -1269.913
where: short stacking energy: -489.361
Base-Backbone interact. energy: -4.281
local terms energy: -531.756908
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -100.025
flat angles C4'-P-C4' energy: -126.130
flat angles P-C4'-P energy: -81.845
tors. eta vs tors. theta energy: -118.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1595.813474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.813474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.813474 (E_RNA)
where:
Base-Base interactions energy: -1066.572
where: short stacking energy: -445.432
Base-Backbone interact. energy: -1.356
local terms energy: -527.884916
where:
bonds (distance) C4'-P energy: -107.254
bonds (distance) P-C4' energy: -125.212
flat angles C4'-P-C4' energy: -103.134
flat angles P-C4'-P energy: -69.612
tors. eta vs tors. theta energy: -122.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1569.384916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.384916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.384916 (E_RNA)
where:
Base-Base interactions energy: -1069.665
where: short stacking energy: -440.681
Base-Backbone interact. energy: -2.458
local terms energy: -497.261107
where:
bonds (distance) C4'-P energy: -101.196
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -117.125
flat angles P-C4'-P energy: -63.120
tors. eta vs tors. theta energy: -116.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1388.836813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.836813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.836813 (E_RNA)
where:
Base-Base interactions energy: -889.733
where: short stacking energy: -411.347
Base-Backbone interact. energy: -1.277
local terms energy: -497.826701
where:
bonds (distance) C4'-P energy: -95.476
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -102.606
flat angles P-C4'-P energy: -84.053
tors. eta vs tors. theta energy: -96.121
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: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1188.148521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.148521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.148521 (E_RNA)
where:
Base-Base interactions energy: -742.687
where: short stacking energy: -333.966
Base-Backbone interact. energy: -0.474
local terms energy: -444.987116
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -108.960
flat angles C4'-P-C4' energy: -96.278
flat angles P-C4'-P energy: -64.186
tors. eta vs tors. theta energy: -75.562
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -912.396223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.396223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.396223 (E_RNA)
where:
Base-Base interactions energy: -502.423
where: short stacking energy: -221.688
Base-Backbone interact. energy: -2.972
local terms energy: -407.001112
where:
bonds (distance) C4'-P energy: -100.494
bonds (distance) P-C4' energy: -99.342
flat angles C4'-P-C4' energy: -106.530
flat angles P-C4'-P energy: -67.391
tors. eta vs tors. theta energy: -33.245
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: 227
Temperature: 1.350000
Total energy: -480.789576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.789576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.789576 (E_RNA)
where:
Base-Base interactions energy: -203.736
where: short stacking energy: -150.492
Base-Backbone interact. energy: 0.922
local terms energy: -277.975027
where:
bonds (distance) C4'-P energy: -77.782
bonds (distance) P-C4' energy: -95.374
flat angles C4'-P-C4' energy: -72.243
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: 9.907
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: 228
Temperature: 0.900000
Total energy: -2088.467536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.467536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.467536 (E_RNA)
where:
Base-Base interactions energy: -1480.220
where: short stacking energy: -575.120
Base-Backbone interact. energy: -3.859
local terms energy: -604.387824
where:
bonds (distance) C4'-P energy: -114.594
bonds (distance) P-C4' energy: -115.551
flat angles C4'-P-C4' energy: -129.624
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -164.156
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: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1986.713443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.713443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.713443 (E_RNA)
where:
Base-Base interactions energy: -1385.255
where: short stacking energy: -574.196
Base-Backbone interact. energy: -2.580
local terms energy: -598.878139
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -121.001
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -81.468
tors. eta vs tors. theta energy: -163.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1906.687952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.687952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.687952 (E_RNA)
where:
Base-Base interactions energy: -1280.849
where: short stacking energy: -508.715
Base-Backbone interact. energy: -6.147
local terms energy: -619.691775
where:
bonds (distance) C4'-P energy: -123.756
bonds (distance) P-C4' energy: -118.644
flat angles C4'-P-C4' energy: -136.238
flat angles P-C4'-P energy: -86.440
tors. eta vs tors. theta energy: -154.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1772.285166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.285166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.285166 (E_RNA)
where:
Base-Base interactions energy: -1244.349
where: short stacking energy: -483.552
Base-Backbone interact. energy: -2.262
local terms energy: -525.674572
where:
bonds (distance) C4'-P energy: -106.319
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -113.900
flat angles P-C4'-P energy: -75.767
tors. eta vs tors. theta energy: -133.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1585.007482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.007482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.007482 (E_RNA)
where:
Base-Base interactions energy: -1071.938
where: short stacking energy: -454.552
Base-Backbone interact. energy: -6.933
local terms energy: -506.136900
where:
bonds (distance) C4'-P energy: -98.279
bonds (distance) P-C4' energy: -104.363
flat angles C4'-P-C4' energy: -112.895
flat angles P-C4'-P energy: -70.555
tors. eta vs tors. theta energy: -120.046
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: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1491.125161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.125161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.125161 (E_RNA)
where:
Base-Base interactions energy: -1011.226
where: short stacking energy: -419.714
Base-Backbone interact. energy: 0.589
local terms energy: -480.488088
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -107.490
flat angles C4'-P-C4' energy: -103.821
flat angles P-C4'-P energy: -73.881
tors. eta vs tors. theta energy: -98.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1374.850533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.850533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.850533 (E_RNA)
where:
Base-Base interactions energy: -916.453
where: short stacking energy: -387.281
Base-Backbone interact. energy: 0.840
local terms energy: -459.237364
where:
bonds (distance) C4'-P energy: -112.421
bonds (distance) P-C4' energy: -85.499
flat angles C4'-P-C4' energy: -103.020
flat angles P-C4'-P energy: -70.773
tors. eta vs tors. theta energy: -87.524
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1208.761392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.761392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.761392 (E_RNA)
where:
Base-Base interactions energy: -792.190
where: short stacking energy: -368.714
Base-Backbone interact. energy: 1.278
local terms energy: -417.849373
where:
bonds (distance) C4'-P energy: -87.549
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -107.924
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -76.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -912.806346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.806346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.806346 (E_RNA)
where:
Base-Base interactions energy: -533.249
where: short stacking energy: -265.468
Base-Backbone interact. energy: -0.558
local terms energy: -378.999536
where:
bonds (distance) C4'-P energy: -86.431
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -99.754
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -31.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -542.104381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.104381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.104381 (E_RNA)
where:
Base-Base interactions energy: -244.464
where: short stacking energy: -161.901
Base-Backbone interact. energy: 2.948
local terms energy: -300.589105
where:
bonds (distance) C4'-P energy: -84.781
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -83.995
flat angles P-C4'-P energy: -49.984
tors. eta vs tors. theta energy: 10.595
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2110.553164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.553164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.553164 (E_RNA)
where:
Base-Base interactions energy: -1505.784
where: short stacking energy: -573.499
Base-Backbone interact. energy: -4.974
local terms energy: -599.794660
where:
bonds (distance) C4'-P energy: -114.349
bonds (distance) P-C4' energy: -113.241
flat angles C4'-P-C4' energy: -133.324
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -158.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1970.337550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.337550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.337550 (E_RNA)
where:
Base-Base interactions energy: -1372.198
where: short stacking energy: -556.225
Base-Backbone interact. energy: -0.757
local terms energy: -597.382394
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -107.866
flat angles C4'-P-C4' energy: -121.346
flat angles P-C4'-P energy: -85.796
tors. eta vs tors. theta energy: -169.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1880.501495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.501495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.501495 (E_RNA)
where:
Base-Base interactions energy: -1296.870
where: short stacking energy: -533.463
Base-Backbone interact. energy: 3.493
local terms energy: -587.125070
where:
bonds (distance) C4'-P energy: -118.403
bonds (distance) P-C4' energy: -97.516
flat angles C4'-P-C4' energy: -134.764
flat angles P-C4'-P energy: -88.917
tors. eta vs tors. theta energy: -147.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1826.492065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.492065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.492065 (E_RNA)
where:
Base-Base interactions energy: -1289.461
where: short stacking energy: -496.341
Base-Backbone interact. energy: -4.853
local terms energy: -532.177807
where:
bonds (distance) C4'-P energy: -85.845
bonds (distance) P-C4' energy: -106.046
flat angles C4'-P-C4' energy: -122.458
flat angles P-C4'-P energy: -74.026
tors. eta vs tors. theta energy: -143.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1580.581667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.581667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.581667 (E_RNA)
where:
Base-Base interactions energy: -1049.477
where: short stacking energy: -454.871
Base-Backbone interact. energy: -4.162
local terms energy: -526.942770
where:
bonds (distance) C4'-P energy: -96.028
bonds (distance) P-C4' energy: -118.469
flat angles C4'-P-C4' energy: -123.472
flat angles P-C4'-P energy: -70.473
tors. eta vs tors. theta energy: -118.501
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1530.152966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.152966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.152966 (E_RNA)
where:
Base-Base interactions energy: -1022.046
where: short stacking energy: -448.615
Base-Backbone interact. energy: -3.171
local terms energy: -504.935866
where:
bonds (distance) C4'-P energy: -98.552
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -114.943
flat angles P-C4'-P energy: -63.313
tors. eta vs tors. theta energy: -119.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1353.325044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.325044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.325044 (E_RNA)
where:
Base-Base interactions energy: -877.151
where: short stacking energy: -402.935
Base-Backbone interact. energy: -2.110
local terms energy: -474.063280
where:
bonds (distance) C4'-P energy: -103.358
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -103.009
flat angles P-C4'-P energy: -72.235
tors. eta vs tors. theta energy: -102.678
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1234.425692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.425692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.425692 (E_RNA)
where:
Base-Base interactions energy: -797.396
where: short stacking energy: -371.899
Base-Backbone interact. energy: -1.120
local terms energy: -435.909656
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -106.625
flat angles P-C4'-P energy: -51.500
tors. eta vs tors. theta energy: -92.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -858.003547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.003547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.003547 (E_RNA)
where:
Base-Base interactions energy: -484.554
where: short stacking energy: -215.937
Base-Backbone interact. energy: -0.253
local terms energy: -373.196834
where:
bonds (distance) C4'-P energy: -108.668
bonds (distance) P-C4' energy: -95.172
flat angles C4'-P-C4' energy: -65.311
flat angles P-C4'-P energy: -78.279
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -553.715710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.715710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.715710 (E_RNA)
where:
Base-Base interactions energy: -244.746
where: short stacking energy: -169.012
Base-Backbone interact. energy: 2.777
local terms energy: -311.746131
where:
bonds (distance) C4'-P energy: -92.591
bonds (distance) P-C4' energy: -77.330
flat angles C4'-P-C4' energy: -85.172
flat angles P-C4'-P energy: -56.051
tors. eta vs tors. theta energy: -0.602
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: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2084.046401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.046401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.046401 (E_RNA)
where:
Base-Base interactions energy: -1474.440
where: short stacking energy: -581.103
Base-Backbone interact. energy: -2.089
local terms energy: -607.517118
where:
bonds (distance) C4'-P energy: -107.023
bonds (distance) P-C4' energy: -125.270
flat angles C4'-P-C4' energy: -127.773
flat angles P-C4'-P energy: -86.181
tors. eta vs tors. theta energy: -161.271
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: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1985.405885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.405885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.405885 (E_RNA)
where:
Base-Base interactions energy: -1376.531
where: short stacking energy: -557.508
Base-Backbone interact. energy: -0.768
local terms energy: -608.107713
where:
bonds (distance) C4'-P energy: -110.995
bonds (distance) P-C4' energy: -123.492
flat angles C4'-P-C4' energy: -118.312
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -172.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1886.427931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.427931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.427931 (E_RNA)
where:
Base-Base interactions energy: -1337.365
where: short stacking energy: -510.962
Base-Backbone interact. energy: -2.483
local terms energy: -546.579245
where:
bonds (distance) C4'-P energy: -106.780
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -113.285
flat angles P-C4'-P energy: -79.876
tors. eta vs tors. theta energy: -142.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1813.089602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.089602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.089602 (E_RNA)
where:
Base-Base interactions energy: -1271.077
where: short stacking energy: -507.815
Base-Backbone interact. energy: -3.281
local terms energy: -538.731980
where:
bonds (distance) C4'-P energy: -91.932
bonds (distance) P-C4' energy: -110.129
flat angles C4'-P-C4' energy: -108.685
flat angles P-C4'-P energy: -74.619
tors. eta vs tors. theta energy: -153.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1580.332829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.332829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.332829 (E_RNA)
where:
Base-Base interactions energy: -1076.324
where: short stacking energy: -473.047
Base-Backbone interact. energy: -2.084
local terms energy: -501.924951
where:
bonds (distance) C4'-P energy: -96.472
bonds (distance) P-C4' energy: -95.640
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -116.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1445.519464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.519464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.519464 (E_RNA)
where:
Base-Base interactions energy: -968.352
where: short stacking energy: -453.283
Base-Backbone interact. energy: -3.838
local terms energy: -473.329630
where:
bonds (distance) C4'-P energy: -77.536
bonds (distance) P-C4' energy: -100.275
flat angles C4'-P-C4' energy: -104.790
flat angles P-C4'-P energy: -81.828
tors. eta vs tors. theta energy: -108.900
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1379.587047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.587047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.587047 (E_RNA)
where:
Base-Base interactions energy: -918.521
where: short stacking energy: -402.345
Base-Backbone interact. energy: -0.523
local terms energy: -460.542892
where:
bonds (distance) C4'-P energy: -101.707
bonds (distance) P-C4' energy: -99.590
flat angles C4'-P-C4' energy: -99.776
flat angles P-C4'-P energy: -61.401
tors. eta vs tors. theta energy: -98.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1273.009167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.009167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.009167 (E_RNA)
where:
Base-Base interactions energy: -821.777
where: short stacking energy: -395.685
Base-Backbone interact. energy: -2.133
local terms energy: -449.098567
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -98.108
flat angles C4'-P-C4' energy: -100.588
flat angles P-C4'-P energy: -65.624
tors. eta vs tors. theta energy: -86.137
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -867.527247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.527247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.527247 (E_RNA)
where:
Base-Base interactions energy: -517.103
where: short stacking energy: -264.364
Base-Backbone interact. energy: 1.575
local terms energy: -351.999268
where:
bonds (distance) C4'-P energy: -93.072
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -94.159
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -532.025654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.025654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.025654 (E_RNA)
where:
Base-Base interactions energy: -225.223
where: short stacking energy: -177.361
Base-Backbone interact. energy: -2.297
local terms energy: -304.506242
where:
bonds (distance) C4'-P energy: -97.935
bonds (distance) P-C4' energy: -81.069
flat angles C4'-P-C4' energy: -87.584
flat angles P-C4'-P energy: -53.974
tors. eta vs tors. theta energy: 16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2088.374103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.374103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.374103 (E_RNA)
where:
Base-Base interactions energy: -1466.890
where: short stacking energy: -580.308
Base-Backbone interact. energy: -2.813
local terms energy: -618.671213
where:
bonds (distance) C4'-P energy: -112.154
bonds (distance) P-C4' energy: -111.680
flat angles C4'-P-C4' energy: -132.306
flat angles P-C4'-P energy: -89.006
tors. eta vs tors. theta energy: -173.525
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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1979.966540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.966540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.966540 (E_RNA)
where:
Base-Base interactions energy: -1386.519
where: short stacking energy: -545.556
Base-Backbone interact. energy: -0.703
local terms energy: -592.744747
where:
bonds (distance) C4'-P energy: -100.547
bonds (distance) P-C4' energy: -118.804
flat angles C4'-P-C4' energy: -125.800
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -165.490
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: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1861.891760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.891760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.891760 (E_RNA)
where:
Base-Base interactions energy: -1304.724
where: short stacking energy: -522.576
Base-Backbone interact. energy: -4.646
local terms energy: -552.522371
where:
bonds (distance) C4'-P energy: -112.957
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -110.327
flat angles P-C4'-P energy: -84.881
tors. eta vs tors. theta energy: -134.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1809.173896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.173896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.173896 (E_RNA)
where:
Base-Base interactions energy: -1251.483
where: short stacking energy: -503.735
Base-Backbone interact. energy: -4.985
local terms energy: -552.706400
where:
bonds (distance) C4'-P energy: -98.326
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -114.738
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -144.476
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: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1633.325078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.325078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.325078 (E_RNA)
where:
Base-Base interactions energy: -1086.573
where: short stacking energy: -475.939
Base-Backbone interact. energy: -4.660
local terms energy: -542.092025
where:
bonds (distance) C4'-P energy: -109.097
bonds (distance) P-C4' energy: -105.384
flat angles C4'-P-C4' energy: -115.170
flat angles P-C4'-P energy: -83.357
tors. eta vs tors. theta energy: -129.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1511.412898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.412898 (E_RNA)
where:
Base-Base interactions energy: -986.570
where: short stacking energy: -440.593
Base-Backbone interact. energy: -0.531
local terms energy: -524.312093
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -104.537
flat angles C4'-P-C4' energy: -119.975
flat angles P-C4'-P energy: -87.893
tors. eta vs tors. theta energy: -119.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1354.184726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.184726 (E_RNA)
where:
Base-Base interactions energy: -894.605
where: short stacking energy: -428.006
Base-Backbone interact. energy: -1.178
local terms energy: -458.401285
where:
bonds (distance) C4'-P energy: -106.375
bonds (distance) P-C4' energy: -98.085
flat angles C4'-P-C4' energy: -103.995
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -96.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1215.756314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.756314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.756314 (E_RNA)
where:
Base-Base interactions energy: -797.372
where: short stacking energy: -356.112
Base-Backbone interact. energy: -2.675
local terms energy: -415.709158
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -85.337
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -74.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -875.570102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.570102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.570102 (E_RNA)
where:
Base-Base interactions energy: -501.795
where: short stacking energy: -243.082
Base-Backbone interact. energy: -1.399
local terms energy: -372.376615
where:
bonds (distance) C4'-P energy: -82.273
bonds (distance) P-C4' energy: -99.061
flat angles C4'-P-C4' energy: -103.622
flat angles P-C4'-P energy: -52.263
tors. eta vs tors. theta energy: -35.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -538.819892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.819892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.819892 (E_RNA)
where:
Base-Base interactions energy: -219.468
where: short stacking energy: -148.155
Base-Backbone interact. energy: -2.349
local terms energy: -317.002843
where:
bonds (distance) C4'-P energy: -85.293
bonds (distance) P-C4' energy: -101.243
flat angles C4'-P-C4' energy: -80.872
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: 10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2127.599183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.599183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.599183 (E_RNA)
where:
Base-Base interactions energy: -1523.179
where: short stacking energy: -597.069
Base-Backbone interact. energy: -1.817
local terms energy: -602.603205
where:
bonds (distance) C4'-P energy: -108.667
bonds (distance) P-C4' energy: -114.912
flat angles C4'-P-C4' energy: -127.772
flat angles P-C4'-P energy: -82.569
tors. eta vs tors. theta energy: -168.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1990.933431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.933431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.933431 (E_RNA)
where:
Base-Base interactions energy: -1375.296
where: short stacking energy: -547.781
Base-Backbone interact. energy: -8.487
local terms energy: -607.150556
where:
bonds (distance) C4'-P energy: -112.879
bonds (distance) P-C4' energy: -114.822
flat angles C4'-P-C4' energy: -133.161
flat angles P-C4'-P energy: -86.918
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: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1878.153329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.153329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.153329 (E_RNA)
where:
Base-Base interactions energy: -1330.598
where: short stacking energy: -524.668
Base-Backbone interact. energy: -4.375
local terms energy: -543.179963
where:
bonds (distance) C4'-P energy: -110.639
bonds (distance) P-C4' energy: -103.104
flat angles C4'-P-C4' energy: -109.293
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -145.682
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1822.691582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.691582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.691582 (E_RNA)
where:
Base-Base interactions energy: -1274.229
where: short stacking energy: -504.311
Base-Backbone interact. energy: -2.319
local terms energy: -546.143328
where:
bonds (distance) C4'-P energy: -113.390
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -109.194
flat angles P-C4'-P energy: -83.986
tors. eta vs tors. theta energy: -134.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1582.429475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.429475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.429475 (E_RNA)
where:
Base-Base interactions energy: -1099.111
where: short stacking energy: -480.368
Base-Backbone interact. energy: 0.508
local terms energy: -483.826421
where:
bonds (distance) C4'-P energy: -99.597
bonds (distance) P-C4' energy: -103.340
flat angles C4'-P-C4' energy: -111.138
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -112.692
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: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1472.821997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.821997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.821997 (E_RNA)
where:
Base-Base interactions energy: -981.557
where: short stacking energy: -442.637
Base-Backbone interact. energy: 0.226
local terms energy: -491.491168
where:
bonds (distance) C4'-P energy: -91.995
bonds (distance) P-C4' energy: -97.488
flat angles C4'-P-C4' energy: -114.258
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -104.262
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1410.619496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.619496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.619496 (E_RNA)
where:
Base-Base interactions energy: -966.028
where: short stacking energy: -409.886
Base-Backbone interact. energy: 13.248
local terms energy: -457.839735
where:
bonds (distance) C4'-P energy: -78.769
bonds (distance) P-C4' energy: -91.463
flat angles C4'-P-C4' energy: -117.795
flat angles P-C4'-P energy: -77.077
tors. eta vs tors. theta energy: -92.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1178.705027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.705027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.705027 (E_RNA)
where:
Base-Base interactions energy: -764.666
where: short stacking energy: -334.484
Base-Backbone interact. energy: -0.049
local terms energy: -413.989940
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -91.375
flat angles C4'-P-C4' energy: -100.685
flat angles P-C4'-P energy: -71.234
tors. eta vs tors. theta energy: -70.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -846.681645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.681645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.681645 (E_RNA)
where:
Base-Base interactions energy: -483.298
where: short stacking energy: -259.259
Base-Backbone interact. energy: -0.815
local terms energy: -362.568601
where:
bonds (distance) C4'-P energy: -84.705
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -92.221
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -29.683
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: 232
Temperature: 1.350000
Total energy: -599.966495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.966495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.966495 (E_RNA)
where:
Base-Base interactions energy: -288.704
where: short stacking energy: -157.729
Base-Backbone interact. energy: -0.473
local terms energy: -310.789138
where:
bonds (distance) C4'-P energy: -86.150
bonds (distance) P-C4' energy: -102.734
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -52.418
tors. eta vs tors. theta energy: 1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2128.341209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.341209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.341209 (E_RNA)
where:
Base-Base interactions energy: -1504.514
where: short stacking energy: -600.587
Base-Backbone interact. energy: 3.709
local terms energy: -627.535988
where:
bonds (distance) C4'-P energy: -110.258
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -142.943
flat angles P-C4'-P energy: -91.416
tors. eta vs tors. theta energy: -173.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1965.622471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.622471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.622471 (E_RNA)
where:
Base-Base interactions energy: -1356.064
where: short stacking energy: -550.757
Base-Backbone interact. energy: -0.716
local terms energy: -608.842275
where:
bonds (distance) C4'-P energy: -103.175
bonds (distance) P-C4' energy: -116.765
flat angles C4'-P-C4' energy: -127.382
flat angles P-C4'-P energy: -101.969
tors. eta vs tors. theta energy: -159.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1866.532213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.532213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.532213 (E_RNA)
where:
Base-Base interactions energy: -1299.394
where: short stacking energy: -530.704
Base-Backbone interact. energy: -4.023
local terms energy: -563.115329
where:
bonds (distance) C4'-P energy: -97.201
bonds (distance) P-C4' energy: -108.977
flat angles C4'-P-C4' energy: -122.739
flat angles P-C4'-P energy: -87.002
tors. eta vs tors. theta energy: -147.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1847.709073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.709073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.709073 (E_RNA)
where:
Base-Base interactions energy: -1308.506
where: short stacking energy: -516.469
Base-Backbone interact. energy: -4.702
local terms energy: -534.500688
where:
bonds (distance) C4'-P energy: -109.177
bonds (distance) P-C4' energy: -92.469
flat angles C4'-P-C4' energy: -120.521
flat angles P-C4'-P energy: -60.476
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: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1557.104042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.104042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.104042 (E_RNA)
where:
Base-Base interactions energy: -1067.050
where: short stacking energy: -479.576
Base-Backbone interact. energy: -3.017
local terms energy: -487.036421
where:
bonds (distance) C4'-P energy: -86.125
bonds (distance) P-C4' energy: -104.132
flat angles C4'-P-C4' energy: -109.417
flat angles P-C4'-P energy: -62.086
tors. eta vs tors. theta energy: -125.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1496.261855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.261855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.261855 (E_RNA)
where:
Base-Base interactions energy: -989.127
where: short stacking energy: -417.086
Base-Backbone interact. energy: 3.934
local terms energy: -511.068614
where:
bonds (distance) C4'-P energy: -100.736
bonds (distance) P-C4' energy: -115.796
flat angles C4'-P-C4' energy: -110.050
flat angles P-C4'-P energy: -76.359
tors. eta vs tors. theta energy: -108.127
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: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1307.176739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.176739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.176739 (E_RNA)
where:
Base-Base interactions energy: -875.597
where: short stacking energy: -367.727
Base-Backbone interact. energy: -0.728
local terms energy: -430.851386
where:
bonds (distance) C4'-P energy: -88.584
bonds (distance) P-C4' energy: -115.547
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -61.483
tors. eta vs tors. theta energy: -69.178
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: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1197.741999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.741999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.741999 (E_RNA)
where:
Base-Base interactions energy: -780.518
where: short stacking energy: -326.065
Base-Backbone interact. energy: -2.760
local terms energy: -414.463876
where:
bonds (distance) C4'-P energy: -87.757
bonds (distance) P-C4' energy: -94.278
flat angles C4'-P-C4' energy: -97.726
flat angles P-C4'-P energy: -46.062
tors. eta vs tors. theta energy: -88.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -829.250941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.250941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.250941 (E_RNA)
where:
Base-Base interactions energy: -455.895
where: short stacking energy: -232.571
Base-Backbone interact. energy: -3.646
local terms energy: -369.710122
where:
bonds (distance) C4'-P energy: -92.461
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -85.769
flat angles P-C4'-P energy: -71.268
tors. eta vs tors. theta energy: -31.110
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: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -600.735343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.735343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.735343 (E_RNA)
where:
Base-Base interactions energy: -283.623
where: short stacking energy: -156.374
Base-Backbone interact. energy: 1.583
local terms energy: -318.695305
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -64.188
tors. eta vs tors. theta energy: 16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2132.761692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.761692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.761692 (E_RNA)
where:
Base-Base interactions energy: -1484.074
where: short stacking energy: -594.501
Base-Backbone interact. energy: -1.560
local terms energy: -647.127899
where:
bonds (distance) C4'-P energy: -124.183
bonds (distance) P-C4' energy: -114.084
flat angles C4'-P-C4' energy: -137.865
flat angles P-C4'-P energy: -91.180
tors. eta vs tors. theta energy: -179.816
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: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1996.863664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.863664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.863664 (E_RNA)
where:
Base-Base interactions energy: -1407.848
where: short stacking energy: -567.556
Base-Backbone interact. energy: 0.599
local terms energy: -589.614575
where:
bonds (distance) C4'-P energy: -106.832
bonds (distance) P-C4' energy: -111.434
flat angles C4'-P-C4' energy: -120.344
flat angles P-C4'-P energy: -90.574
tors. eta vs tors. theta energy: -160.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1905.202110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.202110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.202110 (E_RNA)
where:
Base-Base interactions energy: -1328.248
where: short stacking energy: -527.318
Base-Backbone interact. energy: 2.239
local terms energy: -579.192772
where:
bonds (distance) C4'-P energy: -102.642
bonds (distance) P-C4' energy: -116.821
flat angles C4'-P-C4' energy: -119.521
flat angles P-C4'-P energy: -86.851
tors. eta vs tors. theta energy: -153.358
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: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1871.446821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.446821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.446821 (E_RNA)
where:
Base-Base interactions energy: -1294.184
where: short stacking energy: -540.085
Base-Backbone interact. energy: -2.936
local terms energy: -574.326891
where:
bonds (distance) C4'-P energy: -111.762
bonds (distance) P-C4' energy: -119.798
flat angles C4'-P-C4' energy: -110.203
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -155.383
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: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1628.091176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.091176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.091176 (E_RNA)
where:
Base-Base interactions energy: -1117.486
where: short stacking energy: -482.614
Base-Backbone interact. energy: -1.973
local terms energy: -508.632044
where:
bonds (distance) C4'-P energy: -94.007
bonds (distance) P-C4' energy: -98.654
flat angles C4'-P-C4' energy: -111.571
flat angles P-C4'-P energy: -76.155
tors. eta vs tors. theta energy: -128.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1514.097347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.097347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.097347 (E_RNA)
where:
Base-Base interactions energy: -1018.970
where: short stacking energy: -446.205
Base-Backbone interact. energy: -2.627
local terms energy: -492.500882
where:
bonds (distance) C4'-P energy: -85.913
bonds (distance) P-C4' energy: -113.654
flat angles C4'-P-C4' energy: -103.114
flat angles P-C4'-P energy: -66.971
tors. eta vs tors. theta energy: -122.848
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: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1314.595576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.595576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.595576 (E_RNA)
where:
Base-Base interactions energy: -880.816
where: short stacking energy: -377.851
Base-Backbone interact. energy: 5.782
local terms energy: -439.562248
where:
bonds (distance) C4'-P energy: -91.443
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -112.492
flat angles P-C4'-P energy: -55.377
tors. eta vs tors. theta energy: -86.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1185.837274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.837274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.837274 (E_RNA)
where:
Base-Base interactions energy: -776.026
where: short stacking energy: -353.527
Base-Backbone interact. energy: 1.893
local terms energy: -411.704332
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -90.872
flat angles P-C4'-P energy: -70.809
tors. eta vs tors. theta energy: -66.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -815.497465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.497465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.497465 (E_RNA)
where:
Base-Base interactions energy: -430.796
where: short stacking energy: -220.908
Base-Backbone interact. energy: -2.634
local terms energy: -382.067754
where:
bonds (distance) C4'-P energy: -93.044
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -88.989
flat angles P-C4'-P energy: -69.173
tors. eta vs tors. theta energy: -23.329
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -716.564513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.564513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.564513 (E_RNA)
where:
Base-Base interactions energy: -386.743
where: short stacking energy: -216.788
Base-Backbone interact. energy: 7.072
local terms energy: -336.894226
where:
bonds (distance) C4'-P energy: -97.296
bonds (distance) P-C4' energy: -80.909
flat angles C4'-P-C4' energy: -71.183
flat angles P-C4'-P energy: -65.255
tors. eta vs tors. theta energy: -22.251
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2146.738178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.738178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.738178 (E_RNA)
where:
Base-Base interactions energy: -1520.730
where: short stacking energy: -597.990
Base-Backbone interact. energy: -4.440
local terms energy: -621.568813
where:
bonds (distance) C4'-P energy: -108.186
bonds (distance) P-C4' energy: -122.382
flat angles C4'-P-C4' energy: -132.701
flat angles P-C4'-P energy: -83.079
tors. eta vs tors. theta energy: -175.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1983.629949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.629949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.629949 (E_RNA)
where:
Base-Base interactions energy: -1378.246
where: short stacking energy: -553.417
Base-Backbone interact. energy: -0.878
local terms energy: -604.505413
where:
bonds (distance) C4'-P energy: -116.382
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -119.551
flat angles P-C4'-P energy: -89.234
tors. eta vs tors. theta energy: -157.778
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: 235
Temperature: 1.000000
Total energy: -1929.533656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.533656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.533656 (E_RNA)
where:
Base-Base interactions energy: -1351.997
where: short stacking energy: -547.729
Base-Backbone interact. energy: -2.245
local terms energy: -575.291148
where:
bonds (distance) C4'-P energy: -110.893
bonds (distance) P-C4' energy: -101.320
flat angles C4'-P-C4' energy: -121.749
flat angles P-C4'-P energy: -82.850
tors. eta vs tors. theta energy: -158.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1850.184834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.184834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.184834 (E_RNA)
where:
Base-Base interactions energy: -1297.272
where: short stacking energy: -534.676
Base-Backbone interact. energy: -2.040
local terms energy: -550.873031
where:
bonds (distance) C4'-P energy: -108.875
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -125.849
flat angles P-C4'-P energy: -75.636
tors. eta vs tors. theta energy: -134.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1616.879174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.879174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.879174 (E_RNA)
where:
Base-Base interactions energy: -1101.218
where: short stacking energy: -452.277
Base-Backbone interact. energy: -2.785
local terms energy: -512.876851
where:
bonds (distance) C4'-P energy: -105.877
bonds (distance) P-C4' energy: -102.652
flat angles C4'-P-C4' energy: -114.822
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -118.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1480.724405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.724405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.724405 (E_RNA)
where:
Base-Base interactions energy: -975.003
where: short stacking energy: -419.005
Base-Backbone interact. energy: -2.734
local terms energy: -502.987935
where:
bonds (distance) C4'-P energy: -108.138
bonds (distance) P-C4' energy: -113.566
flat angles C4'-P-C4' energy: -124.626
flat angles P-C4'-P energy: -63.292
tors. eta vs tors. theta energy: -93.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1367.492190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.492190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.492190 (E_RNA)
where:
Base-Base interactions energy: -894.507
where: short stacking energy: -401.150
Base-Backbone interact. energy: 3.334
local terms energy: -476.319005
where:
bonds (distance) C4'-P energy: -112.756
bonds (distance) P-C4' energy: -88.349
flat angles C4'-P-C4' energy: -112.118
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -103.066
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1198.002396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.002396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.002396 (E_RNA)
where:
Base-Base interactions energy: -788.109
where: short stacking energy: -369.331
Base-Backbone interact. energy: -0.222
local terms energy: -409.671618
where:
bonds (distance) C4'-P energy: -90.298
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -65.443
tors. eta vs tors. theta energy: -73.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -805.801141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.801141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.801141 (E_RNA)
where:
Base-Base interactions energy: -459.483
where: short stacking energy: -230.549
Base-Backbone interact. energy: -1.407
local terms energy: -344.911583
where:
bonds (distance) C4'-P energy: -84.218
bonds (distance) P-C4' energy: -95.841
flat angles C4'-P-C4' energy: -89.858
flat angles P-C4'-P energy: -53.799
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -706.235117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.235117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.235117 (E_RNA)
where:
Base-Base interactions energy: -373.245
where: short stacking energy: -203.883
Base-Backbone interact. energy: 11.187
local terms energy: -344.178018
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -105.550
flat angles C4'-P-C4' energy: -87.929
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2123.851898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.851898 (E_RNA)
where:
Base-Base interactions energy: -1492.028
where: short stacking energy: -588.098
Base-Backbone interact. energy: -0.832
local terms energy: -630.992448
where:
bonds (distance) C4'-P energy: -115.300
bonds (distance) P-C4' energy: -124.935
flat angles C4'-P-C4' energy: -132.587
flat angles P-C4'-P energy: -84.148
tors. eta vs tors. theta energy: -174.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1965.385259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.385259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.385259 (E_RNA)
where:
Base-Base interactions energy: -1356.246
where: short stacking energy: -551.447
Base-Backbone interact. energy: -3.814
local terms energy: -605.324684
where:
bonds (distance) C4'-P energy: -108.599
bonds (distance) P-C4' energy: -121.969
flat angles C4'-P-C4' energy: -125.026
flat angles P-C4'-P energy: -94.998
tors. eta vs tors. theta energy: -154.733
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: 236
Temperature: 1.000000
Total energy: -1926.540082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.540082 (E_RNA)
where:
Base-Base interactions energy: -1343.112
where: short stacking energy: -553.366
Base-Backbone interact. energy: -2.986
local terms energy: -580.442661
where:
bonds (distance) C4'-P energy: -112.998
bonds (distance) P-C4' energy: -111.347
flat angles C4'-P-C4' energy: -120.071
flat angles P-C4'-P energy: -74.432
tors. eta vs tors. theta energy: -161.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1833.544059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.544059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.544059 (E_RNA)
where:
Base-Base interactions energy: -1275.406
where: short stacking energy: -494.537
Base-Backbone interact. energy: -3.527
local terms energy: -554.611057
where:
bonds (distance) C4'-P energy: -97.438
bonds (distance) P-C4' energy: -118.285
flat angles C4'-P-C4' energy: -114.954
flat angles P-C4'-P energy: -87.728
tors. eta vs tors. theta energy: -136.206
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: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1631.517512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.517512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.517512 (E_RNA)
where:
Base-Base interactions energy: -1088.028
where: short stacking energy: -475.597
Base-Backbone interact. energy: -1.233
local terms energy: -542.256981
where:
bonds (distance) C4'-P energy: -120.300
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -121.812
flat angles P-C4'-P energy: -68.145
tors. eta vs tors. theta energy: -123.753
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: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1457.553898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.553898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.553898 (E_RNA)
where:
Base-Base interactions energy: -954.839
where: short stacking energy: -439.392
Base-Backbone interact. energy: -1.081
local terms energy: -501.633621
where:
bonds (distance) C4'-P energy: -107.048
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -115.640
flat angles P-C4'-P energy: -67.446
tors. eta vs tors. theta energy: -108.259
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: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1383.959059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.959059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.959059 (E_RNA)
where:
Base-Base interactions energy: -881.351
where: short stacking energy: -418.552
Base-Backbone interact. energy: -2.807
local terms energy: -499.800083
where:
bonds (distance) C4'-P energy: -103.403
bonds (distance) P-C4' energy: -108.071
flat angles C4'-P-C4' energy: -110.075
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -110.121
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: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1169.191499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.191499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.191499 (E_RNA)
where:
Base-Base interactions energy: -763.813
where: short stacking energy: -342.948
Base-Backbone interact. energy: 0.599
local terms energy: -405.977542
where:
bonds (distance) C4'-P energy: -90.289
bonds (distance) P-C4' energy: -101.383
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -52.928
tors. eta vs tors. theta energy: -72.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -727.009440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.009440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.009440 (E_RNA)
where:
Base-Base interactions energy: -376.554
where: short stacking energy: -200.992
Base-Backbone interact. energy: -1.983
local terms energy: -348.472366
where:
bonds (distance) C4'-P energy: -97.007
bonds (distance) P-C4' energy: -103.862
flat angles C4'-P-C4' energy: -84.316
flat angles P-C4'-P energy: -57.495
tors. eta vs tors. theta energy: -5.792
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: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -835.600154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.600154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.600154 (E_RNA)
where:
Base-Base interactions energy: -482.084
where: short stacking energy: -243.503
Base-Backbone interact. energy: 0.733
local terms energy: -354.249734
where:
bonds (distance) C4'-P energy: -89.850
bonds (distance) P-C4' energy: -103.169
flat angles C4'-P-C4' energy: -80.096
flat angles P-C4'-P energy: -62.150
tors. eta vs tors. theta energy: -18.986
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: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2108.705542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.705542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.705542 (E_RNA)
where:
Base-Base interactions energy: -1485.802
where: short stacking energy: -588.511
Base-Backbone interact. energy: -2.798
local terms energy: -620.105232
where:
bonds (distance) C4'-P energy: -122.163
bonds (distance) P-C4' energy: -117.917
flat angles C4'-P-C4' energy: -121.584
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -171.275
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: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1961.176066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.176066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.176066 (E_RNA)
where:
Base-Base interactions energy: -1396.273
where: short stacking energy: -557.964
Base-Backbone interact. energy: -4.498
local terms energy: -560.405228
where:
bonds (distance) C4'-P energy: -98.565
bonds (distance) P-C4' energy: -109.984
flat angles C4'-P-C4' energy: -125.877
flat angles P-C4'-P energy: -76.181
tors. eta vs tors. theta energy: -149.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1891.236698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.236698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.236698 (E_RNA)
where:
Base-Base interactions energy: -1318.261
where: short stacking energy: -521.433
Base-Backbone interact. energy: 0.981
local terms energy: -573.956688
where:
bonds (distance) C4'-P energy: -106.426
bonds (distance) P-C4' energy: -105.440
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -82.579
tors. eta vs tors. theta energy: -152.147
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: 237
Temperature: 1.050000
Total energy: -1848.571920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.571920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.571920 (E_RNA)
where:
Base-Base interactions energy: -1291.864
where: short stacking energy: -526.497
Base-Backbone interact. energy: -4.541
local terms energy: -552.166195
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -120.285
flat angles P-C4'-P energy: -67.787
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: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1692.089674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.089674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.089674 (E_RNA)
where:
Base-Base interactions energy: -1137.672
where: short stacking energy: -486.516
Base-Backbone interact. energy: -1.116
local terms energy: -553.302343
where:
bonds (distance) C4'-P energy: -103.687
bonds (distance) P-C4' energy: -107.762
flat angles C4'-P-C4' energy: -124.669
flat angles P-C4'-P energy: -75.435
tors. eta vs tors. theta energy: -141.750
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: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1484.593425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.593425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.593425 (E_RNA)
where:
Base-Base interactions energy: -1008.070
where: short stacking energy: -423.347
Base-Backbone interact. energy: 1.417
local terms energy: -477.940512
where:
bonds (distance) C4'-P energy: -90.613
bonds (distance) P-C4' energy: -97.822
flat angles C4'-P-C4' energy: -110.341
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -104.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1383.914070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.914070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.914070 (E_RNA)
where:
Base-Base interactions energy: -910.805
where: short stacking energy: -413.187
Base-Backbone interact. energy: -1.447
local terms energy: -471.661904
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -105.736
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -53.964
tors. eta vs tors. theta energy: -93.514
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: 237
Temperature: 1.250000
Total energy: -1182.940169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.940169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.940169 (E_RNA)
where:
Base-Base interactions energy: -770.594
where: short stacking energy: -347.949
Base-Backbone interact. energy: 1.827
local terms energy: -414.173413
where:
bonds (distance) C4'-P energy: -81.268
bonds (distance) P-C4' energy: -104.308
flat angles C4'-P-C4' energy: -101.655
flat angles P-C4'-P energy: -49.412
tors. eta vs tors. theta energy: -77.531
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: 237
Temperature: 1.300000
Total energy: -757.332992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.332992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.332992 (E_RNA)
where:
Base-Base interactions energy: -404.033
where: short stacking energy: -208.208
Base-Backbone interact. energy: -2.235
local terms energy: -351.065176
where:
bonds (distance) C4'-P energy: -87.009
bonds (distance) P-C4' energy: -91.848
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -59.476
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -809.169262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.169262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.169262 (E_RNA)
where:
Base-Base interactions energy: -453.453
where: short stacking energy: -242.860
Base-Backbone interact. energy: -0.486
local terms energy: -355.229755
where:
bonds (distance) C4'-P energy: -90.708
bonds (distance) P-C4' energy: -99.289
flat angles C4'-P-C4' energy: -90.144
flat angles P-C4'-P energy: -46.212
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2101.389556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.389556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.389556 (E_RNA)
where:
Base-Base interactions energy: -1489.618
where: short stacking energy: -600.917
Base-Backbone interact. energy: -2.673
local terms energy: -609.098915
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -109.443
flat angles C4'-P-C4' energy: -132.399
flat angles P-C4'-P energy: -93.831
tors. eta vs tors. theta energy: -162.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1992.840241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.840241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.840241 (E_RNA)
where:
Base-Base interactions energy: -1361.355
where: short stacking energy: -557.100
Base-Backbone interact. energy: -3.681
local terms energy: -627.803925
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -121.122
flat angles C4'-P-C4' energy: -145.309
flat angles P-C4'-P energy: -83.742
tors. eta vs tors. theta energy: -158.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1906.179385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.179385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.179385 (E_RNA)
where:
Base-Base interactions energy: -1359.652
where: short stacking energy: -532.530
Base-Backbone interact. energy: 3.457
local terms energy: -549.984493
where:
bonds (distance) C4'-P energy: -101.011
bonds (distance) P-C4' energy: -110.120
flat angles C4'-P-C4' energy: -117.643
flat angles P-C4'-P energy: -78.404
tors. eta vs tors. theta energy: -142.806
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1857.885445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.885445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.885445 (E_RNA)
where:
Base-Base interactions energy: -1281.096
where: short stacking energy: -535.100
Base-Backbone interact. energy: 0.024
local terms energy: -576.813611
where:
bonds (distance) C4'-P energy: -107.648
bonds (distance) P-C4' energy: -107.518
flat angles C4'-P-C4' energy: -126.095
flat angles P-C4'-P energy: -81.748
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: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1670.727691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.727691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.727691 (E_RNA)
where:
Base-Base interactions energy: -1147.345
where: short stacking energy: -489.747
Base-Backbone interact. energy: -1.039
local terms energy: -522.343676
where:
bonds (distance) C4'-P energy: -95.215
bonds (distance) P-C4' energy: -97.948
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -77.931
tors. eta vs tors. theta energy: -137.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1511.560701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.560701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.560701 (E_RNA)
where:
Base-Base interactions energy: -1021.146
where: short stacking energy: -434.134
Base-Backbone interact. energy: -2.494
local terms energy: -487.921252
where:
bonds (distance) C4'-P energy: -102.542
bonds (distance) P-C4' energy: -113.609
flat angles C4'-P-C4' energy: -99.103
flat angles P-C4'-P energy: -70.196
tors. eta vs tors. theta energy: -102.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1379.559734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.559734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.559734 (E_RNA)
where:
Base-Base interactions energy: -926.008
where: short stacking energy: -406.219
Base-Backbone interact. energy: -3.045
local terms energy: -450.507173
where:
bonds (distance) C4'-P energy: -82.252
bonds (distance) P-C4' energy: -94.453
flat angles C4'-P-C4' energy: -103.205
flat angles P-C4'-P energy: -59.920
tors. eta vs tors. theta energy: -110.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1200.942534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.942534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.942534 (E_RNA)
where:
Base-Base interactions energy: -775.681
where: short stacking energy: -339.022
Base-Backbone interact. energy: 3.168
local terms energy: -428.429324
where:
bonds (distance) C4'-P energy: -86.551
bonds (distance) P-C4' energy: -99.205
flat angles C4'-P-C4' energy: -106.312
flat angles P-C4'-P energy: -69.573
tors. eta vs tors. theta energy: -66.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -845.207835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.207835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.207835 (E_RNA)
where:
Base-Base interactions energy: -478.267
where: short stacking energy: -246.981
Base-Backbone interact. energy: -4.353
local terms energy: -362.587502
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -99.619
flat angles C4'-P-C4' energy: -93.230
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -702.137858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.137858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.137858 (E_RNA)
where:
Base-Base interactions energy: -412.532
where: short stacking energy: -221.427
Base-Backbone interact. energy: 4.510
local terms energy: -294.116435
where:
bonds (distance) C4'-P energy: -85.759
bonds (distance) P-C4' energy: -88.188
flat angles C4'-P-C4' energy: -81.960
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2064.401789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.401789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.401789 (E_RNA)
where:
Base-Base interactions energy: -1440.211
where: short stacking energy: -578.218
Base-Backbone interact. energy: -2.835
local terms energy: -621.355242
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -124.583
flat angles C4'-P-C4' energy: -125.911
flat angles P-C4'-P energy: -80.268
tors. eta vs tors. theta energy: -173.978
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2019.704668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.704668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.704668 (E_RNA)
where:
Base-Base interactions energy: -1400.843
where: short stacking energy: -577.939
Base-Backbone interact. energy: -2.655
local terms energy: -616.206813
where:
bonds (distance) C4'-P energy: -125.269
bonds (distance) P-C4' energy: -111.493
flat angles C4'-P-C4' energy: -126.321
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -171.403
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: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1909.231472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.231472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.231472 (E_RNA)
where:
Base-Base interactions energy: -1326.739
where: short stacking energy: -522.187
Base-Backbone interact. energy: -4.237
local terms energy: -578.254798
where:
bonds (distance) C4'-P energy: -104.440
bonds (distance) P-C4' energy: -104.683
flat angles C4'-P-C4' energy: -129.750
flat angles P-C4'-P energy: -89.647
tors. eta vs tors. theta energy: -149.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1851.982325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.982325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.982325 (E_RNA)
where:
Base-Base interactions energy: -1258.224
where: short stacking energy: -508.188
Base-Backbone interact. energy: -4.151
local terms energy: -589.607968
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -122.684
flat angles C4'-P-C4' energy: -136.528
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -140.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1656.286013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.286013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.286013 (E_RNA)
where:
Base-Base interactions energy: -1124.550
where: short stacking energy: -492.967
Base-Backbone interact. energy: -1.107
local terms energy: -530.629767
where:
bonds (distance) C4'-P energy: -102.104
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -122.761
flat angles P-C4'-P energy: -72.062
tors. eta vs tors. theta energy: -124.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1533.043253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.043253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.043253 (E_RNA)
where:
Base-Base interactions energy: -1012.750
where: short stacking energy: -429.707
Base-Backbone interact. energy: -1.891
local terms energy: -518.402693
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -112.894
flat angles C4'-P-C4' energy: -127.115
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -108.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1368.915709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.915709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.915709 (E_RNA)
where:
Base-Base interactions energy: -917.178
where: short stacking energy: -406.303
Base-Backbone interact. energy: -1.929
local terms energy: -449.808174
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -102.517
flat angles C4'-P-C4' energy: -94.287
flat angles P-C4'-P energy: -70.819
tors. eta vs tors. theta energy: -93.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1225.379378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.379378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.379378 (E_RNA)
where:
Base-Base interactions energy: -788.742
where: short stacking energy: -363.784
Base-Backbone interact. energy: -0.776
local terms energy: -435.861324
where:
bonds (distance) C4'-P energy: -101.088
bonds (distance) P-C4' energy: -101.193
flat angles C4'-P-C4' energy: -95.356
flat angles P-C4'-P energy: -72.601
tors. eta vs tors. theta energy: -65.623
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: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -971.308517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.308517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.308517 (E_RNA)
where:
Base-Base interactions energy: -573.048
where: short stacking energy: -296.760
Base-Backbone interact. energy: -3.498
local terms energy: -394.762708
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -95.524
flat angles C4'-P-C4' energy: -108.169
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -40.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -686.015398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.015398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.015398 (E_RNA)
where:
Base-Base interactions energy: -360.215
where: short stacking energy: -199.843
Base-Backbone interact. energy: -0.245
local terms energy: -325.555836
where:
bonds (distance) C4'-P energy: -74.095
bonds (distance) P-C4' energy: -99.419
flat angles C4'-P-C4' energy: -82.712
flat angles P-C4'-P energy: -61.450
tors. eta vs tors. theta energy: -7.880
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: 240
Temperature: 0.900000
Total energy: -2107.870222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.870222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.870222 (E_RNA)
where:
Base-Base interactions energy: -1480.974
where: short stacking energy: -592.986
Base-Backbone interact. energy: 4.719
local terms energy: -631.615539
where:
bonds (distance) C4'-P energy: -97.475
bonds (distance) P-C4' energy: -119.804
flat angles C4'-P-C4' energy: -141.985
flat angles P-C4'-P energy: -95.887
tors. eta vs tors. theta energy: -176.464
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: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1992.739172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.739172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.739172 (E_RNA)
where:
Base-Base interactions energy: -1375.963
where: short stacking energy: -545.244
Base-Backbone interact. energy: -6.476
local terms energy: -610.299453
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -104.631
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -85.983
tors. eta vs tors. theta energy: -163.801
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1915.002528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.002528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.002528 (E_RNA)
where:
Base-Base interactions energy: -1354.432
where: short stacking energy: -540.496
Base-Backbone interact. energy: -1.116
local terms energy: -559.454974
where:
bonds (distance) C4'-P energy: -108.491
bonds (distance) P-C4' energy: -98.905
flat angles C4'-P-C4' energy: -127.723
flat angles P-C4'-P energy: -72.565
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: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1846.654667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.654667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.654667 (E_RNA)
where:
Base-Base interactions energy: -1285.151
where: short stacking energy: -512.520
Base-Backbone interact. energy: -3.440
local terms energy: -558.063417
where:
bonds (distance) C4'-P energy: -105.902
bonds (distance) P-C4' energy: -120.406
flat angles C4'-P-C4' energy: -113.393
flat angles P-C4'-P energy: -75.712
tors. eta vs tors. theta energy: -142.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1623.979357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.979357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.979357 (E_RNA)
where:
Base-Base interactions energy: -1097.684
where: short stacking energy: -453.141
Base-Backbone interact. energy: -0.110
local terms energy: -526.185541
where:
bonds (distance) C4'-P energy: -121.514
bonds (distance) P-C4' energy: -102.159
flat angles C4'-P-C4' energy: -111.875
flat angles P-C4'-P energy: -77.217
tors. eta vs tors. theta energy: -113.420
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: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1483.200041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.200041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.200041 (E_RNA)
where:
Base-Base interactions energy: -971.193
where: short stacking energy: -447.801
Base-Backbone interact. energy: -1.991
local terms energy: -510.016807
where:
bonds (distance) C4'-P energy: -96.996
bonds (distance) P-C4' energy: -103.774
flat angles C4'-P-C4' energy: -120.635
flat angles P-C4'-P energy: -74.889
tors. eta vs tors. theta energy: -113.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1432.624112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.624112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.624112 (E_RNA)
where:
Base-Base interactions energy: -945.661
where: short stacking energy: -450.803
Base-Backbone interact. energy: 5.520
local terms energy: -492.482952
where:
bonds (distance) C4'-P energy: -90.473
bonds (distance) P-C4' energy: -116.209
flat angles C4'-P-C4' energy: -113.073
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -109.577
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: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1184.907292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.907292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.907292 (E_RNA)
where:
Base-Base interactions energy: -752.406
where: short stacking energy: -333.820
Base-Backbone interact. energy: 1.050
local terms energy: -433.550765
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -105.934
flat angles C4'-P-C4' energy: -108.527
flat angles P-C4'-P energy: -51.680
tors. eta vs tors. theta energy: -62.349
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -874.448911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.448911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.448911 (E_RNA)
where:
Base-Base interactions energy: -504.661
where: short stacking energy: -240.452
Base-Backbone interact. energy: -1.998
local terms energy: -367.790260
where:
bonds (distance) C4'-P energy: -113.161
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -77.278
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -17.997
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: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -712.027713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.027713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.027713 (E_RNA)
where:
Base-Base interactions energy: -387.403
where: short stacking energy: -201.874
Base-Backbone interact. energy: -1.604
local terms energy: -323.020712
where:
bonds (distance) C4'-P energy: -108.180
bonds (distance) P-C4' energy: -85.141
flat angles C4'-P-C4' energy: -76.593
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -12.041
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: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2098.213275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.213275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.213275 (E_RNA)
where:
Base-Base interactions energy: -1464.094
where: short stacking energy: -578.675
Base-Backbone interact. energy: -1.769
local terms energy: -632.350053
where:
bonds (distance) C4'-P energy: -117.036
bonds (distance) P-C4' energy: -121.842
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -95.491
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1986.696400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.696400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.696400 (E_RNA)
where:
Base-Base interactions energy: -1388.501
where: short stacking energy: -545.759
Base-Backbone interact. energy: -2.506
local terms energy: -595.689393
where:
bonds (distance) C4'-P energy: -109.427
bonds (distance) P-C4' energy: -109.546
flat angles C4'-P-C4' energy: -129.300
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -152.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1903.454776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.454776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.454776 (E_RNA)
where:
Base-Base interactions energy: -1342.399
where: short stacking energy: -534.764
Base-Backbone interact. energy: -1.066
local terms energy: -559.989627
where:
bonds (distance) C4'-P energy: -104.303
bonds (distance) P-C4' energy: -103.963
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -81.878
tors. eta vs tors. theta energy: -148.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1807.680033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.680033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.680033 (E_RNA)
where:
Base-Base interactions energy: -1249.211
where: short stacking energy: -501.082
Base-Backbone interact. energy: -4.005
local terms energy: -554.464230
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -118.496
flat angles P-C4'-P energy: -79.860
tors. eta vs tors. theta energy: -138.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1649.429989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.429989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.429989 (E_RNA)
where:
Base-Base interactions energy: -1113.339
where: short stacking energy: -494.400
Base-Backbone interact. energy: -2.205
local terms energy: -533.886017
where:
bonds (distance) C4'-P energy: -86.670
bonds (distance) P-C4' energy: -111.373
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -87.840
tors. eta vs tors. theta energy: -131.820
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: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1497.110974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.110974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.110974 (E_RNA)
where:
Base-Base interactions energy: -1001.567
where: short stacking energy: -445.066
Base-Backbone interact. energy: -1.300
local terms energy: -494.243451
where:
bonds (distance) C4'-P energy: -113.577
bonds (distance) P-C4' energy: -105.501
flat angles C4'-P-C4' energy: -102.653
flat angles P-C4'-P energy: -70.116
tors. eta vs tors. theta energy: -102.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1460.870606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.870606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.870606 (E_RNA)
where:
Base-Base interactions energy: -970.434
where: short stacking energy: -412.996
Base-Backbone interact. energy: -1.095
local terms energy: -489.342237
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -99.884
flat angles C4'-P-C4' energy: -123.037
flat angles P-C4'-P energy: -65.120
tors. eta vs tors. theta energy: -108.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1137.707585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.707585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.707585 (E_RNA)
where:
Base-Base interactions energy: -735.078
where: short stacking energy: -314.762
Base-Backbone interact. energy: 1.374
local terms energy: -404.003770
where:
bonds (distance) C4'-P energy: -94.483
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -89.780
flat angles P-C4'-P energy: -53.401
tors. eta vs tors. theta energy: -60.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -927.837154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.837154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.837154 (E_RNA)
where:
Base-Base interactions energy: -539.250
where: short stacking energy: -268.375
Base-Backbone interact. energy: -0.485
local terms energy: -388.101947
where:
bonds (distance) C4'-P energy: -94.519
bonds (distance) P-C4' energy: -97.933
flat angles C4'-P-C4' energy: -100.024
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -762.467884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.467884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.467884 (E_RNA)
where:
Base-Base interactions energy: -457.813
where: short stacking energy: -221.500
Base-Backbone interact. energy: 3.951
local terms energy: -308.605929
where:
bonds (distance) C4'-P energy: -94.143
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -81.862
flat angles P-C4'-P energy: -54.325
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2103.798205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.798205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.798205 (E_RNA)
where:
Base-Base interactions energy: -1469.632
where: short stacking energy: -597.264
Base-Backbone interact. energy: -2.498
local terms energy: -631.668278
where:
bonds (distance) C4'-P energy: -120.513
bonds (distance) P-C4' energy: -129.137
flat angles C4'-P-C4' energy: -131.775
flat angles P-C4'-P energy: -85.514
tors. eta vs tors. theta energy: -164.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2001.621289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.621289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.621289 (E_RNA)
where:
Base-Base interactions energy: -1384.747
where: short stacking energy: -577.879
Base-Backbone interact. energy: -1.673
local terms energy: -615.201523
where:
bonds (distance) C4'-P energy: -113.892
bonds (distance) P-C4' energy: -117.736
flat angles C4'-P-C4' energy: -128.339
flat angles P-C4'-P energy: -89.936
tors. eta vs tors. theta energy: -165.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1904.252448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.252448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.252448 (E_RNA)
where:
Base-Base interactions energy: -1334.380
where: short stacking energy: -536.214
Base-Backbone interact. energy: -0.966
local terms energy: -568.906696
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -91.859
flat angles C4'-P-C4' energy: -126.719
flat angles P-C4'-P energy: -91.058
tors. eta vs tors. theta energy: -153.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1816.690001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.690001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.690001 (E_RNA)
where:
Base-Base interactions energy: -1271.923
where: short stacking energy: -529.487
Base-Backbone interact. energy: -0.044
local terms energy: -544.723278
where:
bonds (distance) C4'-P energy: -108.344
bonds (distance) P-C4' energy: -107.782
flat angles C4'-P-C4' energy: -110.447
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -136.955
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: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1664.768116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.768116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.768116 (E_RNA)
where:
Base-Base interactions energy: -1130.294
where: short stacking energy: -484.368
Base-Backbone interact. energy: -2.176
local terms energy: -532.297690
where:
bonds (distance) C4'-P energy: -109.614
bonds (distance) P-C4' energy: -102.684
flat angles C4'-P-C4' energy: -126.647
flat angles P-C4'-P energy: -66.619
tors. eta vs tors. theta energy: -126.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1435.720286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.720286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.720286 (E_RNA)
where:
Base-Base interactions energy: -976.139
where: short stacking energy: -425.159
Base-Backbone interact. energy: -1.544
local terms energy: -458.036527
where:
bonds (distance) C4'-P energy: -91.406
bonds (distance) P-C4' energy: -95.099
flat angles C4'-P-C4' energy: -100.695
flat angles P-C4'-P energy: -67.544
tors. eta vs tors. theta energy: -103.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1402.636947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.636947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.636947 (E_RNA)
where:
Base-Base interactions energy: -937.845
where: short stacking energy: -429.023
Base-Backbone interact. energy: 2.544
local terms energy: -467.336048
where:
bonds (distance) C4'-P energy: -91.235
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -102.848
flat angles P-C4'-P energy: -64.864
tors. eta vs tors. theta energy: -101.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1163.842814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.842814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.842814 (E_RNA)
where:
Base-Base interactions energy: -760.967
where: short stacking energy: -337.390
Base-Backbone interact. energy: 1.693
local terms energy: -404.569378
where:
bonds (distance) C4'-P energy: -88.270
bonds (distance) P-C4' energy: -95.195
flat angles C4'-P-C4' energy: -95.485
flat angles P-C4'-P energy: -59.155
tors. eta vs tors. theta energy: -66.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -991.884157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.884157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.884157 (E_RNA)
where:
Base-Base interactions energy: -619.017
where: short stacking energy: -292.490
Base-Backbone interact. energy: -0.584
local terms energy: -372.282840
where:
bonds (distance) C4'-P energy: -91.005
bonds (distance) P-C4' energy: -107.568
flat angles C4'-P-C4' energy: -91.171
flat angles P-C4'-P energy: -29.722
tors. eta vs tors. theta energy: -52.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -714.776016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.776016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.776016 (E_RNA)
where:
Base-Base interactions energy: -393.184
where: short stacking energy: -193.031
Base-Backbone interact. energy: 3.486
local terms energy: -325.078615
where:
bonds (distance) C4'-P energy: -85.121
bonds (distance) P-C4' energy: -102.066
flat angles C4'-P-C4' energy: -81.484
flat angles P-C4'-P energy: -52.834
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2120.181049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.181049 (E_RNA)
where:
Base-Base interactions energy: -1482.234
where: short stacking energy: -586.344
Base-Backbone interact. energy: -1.644
local terms energy: -636.303492
where:
bonds (distance) C4'-P energy: -123.127
bonds (distance) P-C4' energy: -119.024
flat angles C4'-P-C4' energy: -140.871
flat angles P-C4'-P energy: -84.043
tors. eta vs tors. theta energy: -169.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1991.147673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.147673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.147673 (E_RNA)
where:
Base-Base interactions energy: -1388.829
where: short stacking energy: -565.143
Base-Backbone interact. energy: 1.447
local terms energy: -603.765923
where:
bonds (distance) C4'-P energy: -113.621
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -125.184
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -172.265
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1917.026538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.026538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.026538 (E_RNA)
where:
Base-Base interactions energy: -1336.193
where: short stacking energy: -544.630
Base-Backbone interact. energy: 0.658
local terms energy: -581.491454
where:
bonds (distance) C4'-P energy: -109.581
bonds (distance) P-C4' energy: -119.443
flat angles C4'-P-C4' energy: -117.949
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -156.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1856.365331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.365331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.365331 (E_RNA)
where:
Base-Base interactions energy: -1334.858
where: short stacking energy: -525.932
Base-Backbone interact. energy: -4.601
local terms energy: -516.906375
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -92.556
flat angles C4'-P-C4' energy: -123.132
flat angles P-C4'-P energy: -70.398
tors. eta vs tors. theta energy: -141.025
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: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1674.162906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.162906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.162906 (E_RNA)
where:
Base-Base interactions energy: -1117.269
where: short stacking energy: -480.970
Base-Backbone interact. energy: -3.517
local terms energy: -553.376981
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -108.126
flat angles C4'-P-C4' energy: -133.354
flat angles P-C4'-P energy: -69.592
tors. eta vs tors. theta energy: -134.712
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1422.449085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.449085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.449085 (E_RNA)
where:
Base-Base interactions energy: -948.582
where: short stacking energy: -394.204
Base-Backbone interact. energy: 0.371
local terms energy: -474.237426
where:
bonds (distance) C4'-P energy: -102.645
bonds (distance) P-C4' energy: -110.804
flat angles C4'-P-C4' energy: -103.273
flat angles P-C4'-P energy: -64.042
tors. eta vs tors. theta energy: -93.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1389.558011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.558011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.558011 (E_RNA)
where:
Base-Base interactions energy: -887.229
where: short stacking energy: -381.133
Base-Backbone interact. energy: -3.459
local terms energy: -498.870556
where:
bonds (distance) C4'-P energy: -104.162
bonds (distance) P-C4' energy: -103.447
flat angles C4'-P-C4' energy: -129.340
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -89.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1196.267109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.267109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.267109 (E_RNA)
where:
Base-Base interactions energy: -772.275
where: short stacking energy: -346.258
Base-Backbone interact. energy: -0.547
local terms energy: -423.444693
where:
bonds (distance) C4'-P energy: -79.034
bonds (distance) P-C4' energy: -115.535
flat angles C4'-P-C4' energy: -104.340
flat angles P-C4'-P energy: -51.502
tors. eta vs tors. theta energy: -73.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -986.340877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.340877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.340877 (E_RNA)
where:
Base-Base interactions energy: -630.903
where: short stacking energy: -306.018
Base-Backbone interact. energy: -0.588
local terms energy: -354.850098
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -87.365
flat angles C4'-P-C4' energy: -79.852
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -60.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -668.920353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.920353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.920353 (E_RNA)
where:
Base-Base interactions energy: -358.814
where: short stacking energy: -186.706
Base-Backbone interact. energy: -0.041
local terms energy: -310.065204
where:
bonds (distance) C4'-P energy: -80.807
bonds (distance) P-C4' energy: -116.112
flat angles C4'-P-C4' energy: -91.909
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: 7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2124.389909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.389909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.389909 (E_RNA)
where:
Base-Base interactions energy: -1512.411
where: short stacking energy: -618.582
Base-Backbone interact. energy: -3.167
local terms energy: -608.812148
where:
bonds (distance) C4'-P energy: -105.254
bonds (distance) P-C4' energy: -113.689
flat angles C4'-P-C4' energy: -130.060
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -169.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2030.890887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.890887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.890887 (E_RNA)
where:
Base-Base interactions energy: -1449.228
where: short stacking energy: -586.069
Base-Backbone interact. energy: -1.879
local terms energy: -579.783464
where:
bonds (distance) C4'-P energy: -100.000
bonds (distance) P-C4' energy: -99.926
flat angles C4'-P-C4' energy: -126.391
flat angles P-C4'-P energy: -80.795
tors. eta vs tors. theta energy: -172.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1908.919998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.919998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.919998 (E_RNA)
where:
Base-Base interactions energy: -1346.117
where: short stacking energy: -530.802
Base-Backbone interact. energy: -0.220
local terms energy: -562.582809
where:
bonds (distance) C4'-P energy: -96.468
bonds (distance) P-C4' energy: -119.058
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -86.860
tors. eta vs tors. theta energy: -142.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1840.668782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.668782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.668782 (E_RNA)
where:
Base-Base interactions energy: -1284.912
where: short stacking energy: -501.415
Base-Backbone interact. energy: -3.032
local terms energy: -552.725114
where:
bonds (distance) C4'-P energy: -102.674
bonds (distance) P-C4' energy: -113.173
flat angles C4'-P-C4' energy: -116.086
flat angles P-C4'-P energy: -81.032
tors. eta vs tors. theta energy: -139.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1664.673791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.673791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.673791 (E_RNA)
where:
Base-Base interactions energy: -1117.776
where: short stacking energy: -465.025
Base-Backbone interact. energy: 3.015
local terms energy: -549.912784
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -108.885
flat angles C4'-P-C4' energy: -134.939
flat angles P-C4'-P energy: -72.633
tors. eta vs tors. theta energy: -128.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1422.517478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.517478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.517478 (E_RNA)
where:
Base-Base interactions energy: -911.679
where: short stacking energy: -387.224
Base-Backbone interact. energy: -1.518
local terms energy: -509.319771
where:
bonds (distance) C4'-P energy: -110.158
bonds (distance) P-C4' energy: -103.675
flat angles C4'-P-C4' energy: -126.879
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -96.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1345.469873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.469873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.469873 (E_RNA)
where:
Base-Base interactions energy: -887.263
where: short stacking energy: -377.535
Base-Backbone interact. energy: 5.842
local terms energy: -464.048748
where:
bonds (distance) C4'-P energy: -90.186
bonds (distance) P-C4' energy: -109.086
flat angles C4'-P-C4' energy: -106.505
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -87.348
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: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1197.408515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.408515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.408515 (E_RNA)
where:
Base-Base interactions energy: -774.631
where: short stacking energy: -331.035
Base-Backbone interact. energy: 0.028
local terms energy: -422.805173
where:
bonds (distance) C4'-P energy: -103.661
bonds (distance) P-C4' energy: -86.696
flat angles C4'-P-C4' energy: -107.141
flat angles P-C4'-P energy: -60.101
tors. eta vs tors. theta energy: -65.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -952.633968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.633968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.633968 (E_RNA)
where:
Base-Base interactions energy: -595.593
where: short stacking energy: -292.561
Base-Backbone interact. energy: 0.223
local terms energy: -357.264060
where:
bonds (distance) C4'-P energy: -86.451
bonds (distance) P-C4' energy: -88.251
flat angles C4'-P-C4' energy: -80.243
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -52.201
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: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -730.813263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.813263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.813263 (E_RNA)
where:
Base-Base interactions energy: -393.771
where: short stacking energy: -226.138
Base-Backbone interact. energy: -0.951
local terms energy: -336.090692
where:
bonds (distance) C4'-P energy: -94.180
bonds (distance) P-C4' energy: -98.636
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2135.451932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.451932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.451932 (E_RNA)
where:
Base-Base interactions energy: -1517.809
where: short stacking energy: -622.879
Base-Backbone interact. energy: -1.365
local terms energy: -616.277756
where:
bonds (distance) C4'-P energy: -105.750
bonds (distance) P-C4' energy: -114.493
flat angles C4'-P-C4' energy: -136.129
flat angles P-C4'-P energy: -87.698
tors. eta vs tors. theta energy: -172.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1987.380724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.380724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.380724 (E_RNA)
where:
Base-Base interactions energy: -1369.497
where: short stacking energy: -532.660
Base-Backbone interact. energy: -4.663
local terms energy: -613.219840
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -133.003
flat angles P-C4'-P energy: -85.505
tors. eta vs tors. theta energy: -163.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1909.226828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.226828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.226828 (E_RNA)
where:
Base-Base interactions energy: -1343.230
where: short stacking energy: -519.212
Base-Backbone interact. energy: -2.400
local terms energy: -563.596705
where:
bonds (distance) C4'-P energy: -98.708
bonds (distance) P-C4' energy: -120.083
flat angles C4'-P-C4' energy: -128.889
flat angles P-C4'-P energy: -80.224
tors. eta vs tors. theta energy: -135.693
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: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1823.628171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.628171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.628171 (E_RNA)
where:
Base-Base interactions energy: -1286.361
where: short stacking energy: -498.805
Base-Backbone interact. energy: -3.436
local terms energy: -533.831814
where:
bonds (distance) C4'-P energy: -99.609
bonds (distance) P-C4' energy: -93.763
flat angles C4'-P-C4' energy: -101.720
flat angles P-C4'-P energy: -94.853
tors. eta vs tors. theta energy: -143.887
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1625.552723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.552723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.552723 (E_RNA)
where:
Base-Base interactions energy: -1094.295
where: short stacking energy: -460.393
Base-Backbone interact. energy: -1.065
local terms energy: -530.192870
where:
bonds (distance) C4'-P energy: -114.525
bonds (distance) P-C4' energy: -108.725
flat angles C4'-P-C4' energy: -107.839
flat angles P-C4'-P energy: -75.028
tors. eta vs tors. theta energy: -124.076
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: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1496.613977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.613977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.613977 (E_RNA)
where:
Base-Base interactions energy: -1005.457
where: short stacking energy: -428.680
Base-Backbone interact. energy: -0.314
local terms energy: -490.843404
where:
bonds (distance) C4'-P energy: -112.311
bonds (distance) P-C4' energy: -109.377
flat angles C4'-P-C4' energy: -96.545
flat angles P-C4'-P energy: -65.084
tors. eta vs tors. theta energy: -107.527
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: 245
Temperature: 1.200000
Total energy: -1349.272168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.272168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.272168 (E_RNA)
where:
Base-Base interactions energy: -914.873
where: short stacking energy: -400.518
Base-Backbone interact. energy: 1.783
local terms energy: -436.182592
where:
bonds (distance) C4'-P energy: -94.116
bonds (distance) P-C4' energy: -96.907
flat angles C4'-P-C4' energy: -101.915
flat angles P-C4'-P energy: -61.170
tors. eta vs tors. theta energy: -82.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1188.960747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.960747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.960747 (E_RNA)
where:
Base-Base interactions energy: -766.749
where: short stacking energy: -338.364
Base-Backbone interact. energy: 0.511
local terms energy: -422.723596
where:
bonds (distance) C4'-P energy: -92.911
bonds (distance) P-C4' energy: -117.872
flat angles C4'-P-C4' energy: -98.747
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -68.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -878.589475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.589475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.589475 (E_RNA)
where:
Base-Base interactions energy: -480.489
where: short stacking energy: -240.515
Base-Backbone interact. energy: 6.868
local terms energy: -404.968486
where:
bonds (distance) C4'-P energy: -94.166
bonds (distance) P-C4' energy: -114.909
flat angles C4'-P-C4' energy: -96.443
flat angles P-C4'-P energy: -63.650
tors. eta vs tors. theta energy: -35.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -636.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.929594 (E_RNA)
where:
Base-Base interactions energy: -318.378
where: short stacking energy: -176.522
Base-Backbone interact. energy: 4.016
local terms energy: -322.567759
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -80.467
flat angles C4'-P-C4' energy: -77.110
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2118.575040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.575040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.575040 (E_RNA)
where:
Base-Base interactions energy: -1474.975
where: short stacking energy: -590.040
Base-Backbone interact. energy: -1.534
local terms energy: -642.066893
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -125.054
flat angles C4'-P-C4' energy: -138.688
flat angles P-C4'-P energy: -86.439
tors. eta vs tors. theta energy: -173.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1984.322613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.322613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.322613 (E_RNA)
where:
Base-Base interactions energy: -1371.786
where: short stacking energy: -552.381
Base-Backbone interact. energy: -0.909
local terms energy: -611.627732
where:
bonds (distance) C4'-P energy: -120.039
bonds (distance) P-C4' energy: -99.542
flat angles C4'-P-C4' energy: -134.274
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -171.406
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1921.727382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.727382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.727382 (E_RNA)
where:
Base-Base interactions energy: -1351.761
where: short stacking energy: -533.764
Base-Backbone interact. energy: 1.389
local terms energy: -571.355194
where:
bonds (distance) C4'-P energy: -123.068
bonds (distance) P-C4' energy: -97.166
flat angles C4'-P-C4' energy: -126.597
flat angles P-C4'-P energy: -75.752
tors. eta vs tors. theta energy: -148.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1848.418661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.418661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.418661 (E_RNA)
where:
Base-Base interactions energy: -1301.992
where: short stacking energy: -522.182
Base-Backbone interact. energy: -3.587
local terms energy: -542.839585
where:
bonds (distance) C4'-P energy: -91.888
bonds (distance) P-C4' energy: -108.505
flat angles C4'-P-C4' energy: -122.350
flat angles P-C4'-P energy: -72.924
tors. eta vs tors. theta energy: -147.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1646.871360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.871360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.871360 (E_RNA)
where:
Base-Base interactions energy: -1129.818
where: short stacking energy: -479.996
Base-Backbone interact. energy: -1.675
local terms energy: -515.379075
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -124.452
flat angles P-C4'-P energy: -81.397
tors. eta vs tors. theta energy: -120.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1505.276606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.276606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.276606 (E_RNA)
where:
Base-Base interactions energy: -1009.100
where: short stacking energy: -429.231
Base-Backbone interact. energy: 1.881
local terms energy: -498.057073
where:
bonds (distance) C4'-P energy: -97.466
bonds (distance) P-C4' energy: -100.941
flat angles C4'-P-C4' energy: -111.650
flat angles P-C4'-P energy: -71.639
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1388.349055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.349055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.349055 (E_RNA)
where:
Base-Base interactions energy: -900.394
where: short stacking energy: -415.396
Base-Backbone interact. energy: 0.089
local terms energy: -488.043580
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -111.183
flat angles C4'-P-C4' energy: -114.719
flat angles P-C4'-P energy: -72.814
tors. eta vs tors. theta energy: -97.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1242.173843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.173843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.173843 (E_RNA)
where:
Base-Base interactions energy: -806.565
where: short stacking energy: -388.610
Base-Backbone interact. energy: -1.237
local terms energy: -434.372613
where:
bonds (distance) C4'-P energy: -96.857
bonds (distance) P-C4' energy: -82.125
flat angles C4'-P-C4' energy: -91.307
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -869.340153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.340153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.340153 (E_RNA)
where:
Base-Base interactions energy: -494.251
where: short stacking energy: -253.639
Base-Backbone interact. energy: 1.787
local terms energy: -376.876197
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -103.516
flat angles C4'-P-C4' energy: -82.487
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -582.551309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.551309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.551309 (E_RNA)
where:
Base-Base interactions energy: -257.064
where: short stacking energy: -158.909
Base-Backbone interact. energy: 2.935
local terms energy: -328.422334
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -99.400
flat angles C4'-P-C4' energy: -93.547
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: 9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2115.503469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.503469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.503469 (E_RNA)
where:
Base-Base interactions energy: -1479.298
where: short stacking energy: -603.568
Base-Backbone interact. energy: 0.404
local terms energy: -636.609079
where:
bonds (distance) C4'-P energy: -108.874
bonds (distance) P-C4' energy: -123.955
flat angles C4'-P-C4' energy: -130.599
flat angles P-C4'-P energy: -97.674
tors. eta vs tors. theta energy: -175.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1943.946630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.946630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.946630 (E_RNA)
where:
Base-Base interactions energy: -1359.247
where: short stacking energy: -534.625
Base-Backbone interact. energy: 4.917
local terms energy: -589.616974
where:
bonds (distance) C4'-P energy: -120.209
bonds (distance) P-C4' energy: -116.509
flat angles C4'-P-C4' energy: -125.962
flat angles P-C4'-P energy: -80.811
tors. eta vs tors. theta energy: -146.126
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: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1955.568755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.568755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.568755 (E_RNA)
where:
Base-Base interactions energy: -1359.239
where: short stacking energy: -551.433
Base-Backbone interact. energy: -2.501
local terms energy: -593.828494
where:
bonds (distance) C4'-P energy: -116.476
bonds (distance) P-C4' energy: -101.947
flat angles C4'-P-C4' energy: -126.714
flat angles P-C4'-P energy: -84.961
tors. eta vs tors. theta energy: -163.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1847.789181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.789181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.789181 (E_RNA)
where:
Base-Base interactions energy: -1294.784
where: short stacking energy: -554.235
Base-Backbone interact. energy: -3.435
local terms energy: -549.569917
where:
bonds (distance) C4'-P energy: -92.766
bonds (distance) P-C4' energy: -102.106
flat angles C4'-P-C4' energy: -124.051
flat angles P-C4'-P energy: -80.951
tors. eta vs tors. theta energy: -149.696
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: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1626.073579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.073579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.073579 (E_RNA)
where:
Base-Base interactions energy: -1098.933
where: short stacking energy: -458.717
Base-Backbone interact. energy: 3.816
local terms energy: -530.957171
where:
bonds (distance) C4'-P energy: -111.373
bonds (distance) P-C4' energy: -101.239
flat angles C4'-P-C4' energy: -127.653
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -126.899
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: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1486.670699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.670699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.670699 (E_RNA)
where:
Base-Base interactions energy: -997.991
where: short stacking energy: -439.314
Base-Backbone interact. energy: -4.578
local terms energy: -484.101699
where:
bonds (distance) C4'-P energy: -109.300
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -102.593
flat angles P-C4'-P energy: -66.180
tors. eta vs tors. theta energy: -103.726
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: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1356.565161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.565161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.565161 (E_RNA)
where:
Base-Base interactions energy: -898.320
where: short stacking energy: -394.265
Base-Backbone interact. energy: 0.024
local terms energy: -458.269648
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -108.436
flat angles P-C4'-P energy: -79.477
tors. eta vs tors. theta energy: -93.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1220.297009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.297009 (E_RNA)
where:
Base-Base interactions energy: -807.839
where: short stacking energy: -348.553
Base-Backbone interact. energy: -1.815
local terms energy: -410.642843
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -86.102
flat angles C4'-P-C4' energy: -77.492
flat angles P-C4'-P energy: -71.788
tors. eta vs tors. theta energy: -74.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -880.642468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.642468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.642468 (E_RNA)
where:
Base-Base interactions energy: -538.094
where: short stacking energy: -260.068
Base-Backbone interact. energy: -1.283
local terms energy: -341.265716
where:
bonds (distance) C4'-P energy: -84.422
bonds (distance) P-C4' energy: -94.785
flat angles C4'-P-C4' energy: -92.963
flat angles P-C4'-P energy: -38.586
tors. eta vs tors. theta energy: -30.509
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -572.208871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.208871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.208871 (E_RNA)
where:
Base-Base interactions energy: -272.617
where: short stacking energy: -178.094
Base-Backbone interact. energy: 6.000
local terms energy: -305.591751
where:
bonds (distance) C4'-P energy: -87.587
bonds (distance) P-C4' energy: -99.546
flat angles C4'-P-C4' energy: -84.001
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2091.232173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.232173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.232173 (E_RNA)
where:
Base-Base interactions energy: -1451.395
where: short stacking energy: -590.561
Base-Backbone interact. energy: -5.746
local terms energy: -634.090709
where:
bonds (distance) C4'-P energy: -122.897
bonds (distance) P-C4' energy: -118.730
flat angles C4'-P-C4' energy: -135.086
flat angles P-C4'-P energy: -88.639
tors. eta vs tors. theta energy: -168.738
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: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1978.919213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.919213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.919213 (E_RNA)
where:
Base-Base interactions energy: -1389.003
where: short stacking energy: -558.068
Base-Backbone interact. energy: -4.299
local terms energy: -585.617446
where:
bonds (distance) C4'-P energy: -122.833
bonds (distance) P-C4' energy: -106.989
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -144.253
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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1987.289265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.289265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.289265 (E_RNA)
where:
Base-Base interactions energy: -1383.156
where: short stacking energy: -563.422
Base-Backbone interact. energy: -6.358
local terms energy: -597.774712
where:
bonds (distance) C4'-P energy: -117.901
bonds (distance) P-C4' energy: -117.740
flat angles C4'-P-C4' energy: -113.886
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -171.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1829.375834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.375834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.375834 (E_RNA)
where:
Base-Base interactions energy: -1267.126
where: short stacking energy: -522.834
Base-Backbone interact. energy: -2.807
local terms energy: -559.442293
where:
bonds (distance) C4'-P energy: -92.043
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -130.871
flat angles P-C4'-P energy: -74.119
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: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1667.144725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.144725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.144725 (E_RNA)
where:
Base-Base interactions energy: -1144.672
where: short stacking energy: -473.116
Base-Backbone interact. energy: -2.035
local terms energy: -520.438096
where:
bonds (distance) C4'-P energy: -90.207
bonds (distance) P-C4' energy: -94.704
flat angles C4'-P-C4' energy: -119.619
flat angles P-C4'-P energy: -93.478
tors. eta vs tors. theta energy: -122.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1441.908641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.908641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.908641 (E_RNA)
where:
Base-Base interactions energy: -962.185
where: short stacking energy: -410.508
Base-Backbone interact. energy: -2.118
local terms energy: -477.605390
where:
bonds (distance) C4'-P energy: -99.690
bonds (distance) P-C4' energy: -100.526
flat angles C4'-P-C4' energy: -111.923
flat angles P-C4'-P energy: -71.380
tors. eta vs tors. theta energy: -94.085
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: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1370.179787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.179787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.179787 (E_RNA)
where:
Base-Base interactions energy: -899.498
where: short stacking energy: -400.706
Base-Backbone interact. energy: 0.080
local terms energy: -470.761831
where:
bonds (distance) C4'-P energy: -92.955
bonds (distance) P-C4' energy: -107.151
flat angles C4'-P-C4' energy: -99.488
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -95.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1217.838526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.838526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.838526 (E_RNA)
where:
Base-Base interactions energy: -804.493
where: short stacking energy: -354.270
Base-Backbone interact. energy: 0.364
local terms energy: -413.709662
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -98.937
flat angles C4'-P-C4' energy: -100.152
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -66.583
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -867.974133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.974133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.974133 (E_RNA)
where:
Base-Base interactions energy: -486.622
where: short stacking energy: -230.308
Base-Backbone interact. energy: -0.119
local terms energy: -381.234070
where:
bonds (distance) C4'-P energy: -91.209
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -99.734
flat angles P-C4'-P energy: -62.656
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -550.590984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.590984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.590984 (E_RNA)
where:
Base-Base interactions energy: -225.236
where: short stacking energy: -133.235
Base-Backbone interact. energy: -0.970
local terms energy: -324.384739
where:
bonds (distance) C4'-P energy: -96.735
bonds (distance) P-C4' energy: -93.342
flat angles C4'-P-C4' energy: -94.253
flat angles P-C4'-P energy: -67.251
tors. eta vs tors. theta energy: 27.197
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: 249
Temperature: 0.900000
Total energy: -2135.978422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.978422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.978422 (E_RNA)
where:
Base-Base interactions energy: -1502.130
where: short stacking energy: -608.415
Base-Backbone interact. energy: -1.955
local terms energy: -631.894064
where:
bonds (distance) C4'-P energy: -118.641
bonds (distance) P-C4' energy: -118.116
flat angles C4'-P-C4' energy: -128.973
flat angles P-C4'-P energy: -93.796
tors. eta vs tors. theta energy: -172.368
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: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1973.734488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.734488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.734488 (E_RNA)
where:
Base-Base interactions energy: -1382.829
where: short stacking energy: -523.933
Base-Backbone interact. energy: -1.948
local terms energy: -588.957350
where:
bonds (distance) C4'-P energy: -124.280
bonds (distance) P-C4' energy: -126.047
flat angles C4'-P-C4' energy: -109.920
flat angles P-C4'-P energy: -78.164
tors. eta vs tors. theta energy: -150.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1949.044269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.044269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.044269 (E_RNA)
where:
Base-Base interactions energy: -1346.428
where: short stacking energy: -552.987
Base-Backbone interact. energy: -2.675
local terms energy: -599.940994
where:
bonds (distance) C4'-P energy: -124.173
bonds (distance) P-C4' energy: -103.157
flat angles C4'-P-C4' energy: -132.646
flat angles P-C4'-P energy: -73.702
tors. eta vs tors. theta energy: -166.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1855.089921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.089921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.089921 (E_RNA)
where:
Base-Base interactions energy: -1308.238
where: short stacking energy: -532.756
Base-Backbone interact. energy: 0.305
local terms energy: -547.157760
where:
bonds (distance) C4'-P energy: -99.492
bonds (distance) P-C4' energy: -115.853
flat angles C4'-P-C4' energy: -103.857
flat angles P-C4'-P energy: -82.442
tors. eta vs tors. theta energy: -145.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1633.825283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.825283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.825283 (E_RNA)
where:
Base-Base interactions energy: -1105.244
where: short stacking energy: -472.777
Base-Backbone interact. energy: -2.668
local terms energy: -525.913209
where:
bonds (distance) C4'-P energy: -99.655
bonds (distance) P-C4' energy: -101.273
flat angles C4'-P-C4' energy: -124.109
flat angles P-C4'-P energy: -73.941
tors. eta vs tors. theta energy: -126.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1444.703456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.703456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.703456 (E_RNA)
where:
Base-Base interactions energy: -931.093
where: short stacking energy: -430.962
Base-Backbone interact. energy: 2.954
local terms energy: -516.563874
where:
bonds (distance) C4'-P energy: -105.864
bonds (distance) P-C4' energy: -101.664
flat angles C4'-P-C4' energy: -110.842
flat angles P-C4'-P energy: -87.680
tors. eta vs tors. theta energy: -110.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1435.946761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.946761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.946761 (E_RNA)
where:
Base-Base interactions energy: -962.415
where: short stacking energy: -403.714
Base-Backbone interact. energy: 0.469
local terms energy: -474.001197
where:
bonds (distance) C4'-P energy: -99.436
bonds (distance) P-C4' energy: -90.688
flat angles C4'-P-C4' energy: -120.836
flat angles P-C4'-P energy: -64.941
tors. eta vs tors. theta energy: -98.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1276.085262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.085262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.085262 (E_RNA)
where:
Base-Base interactions energy: -816.058
where: short stacking energy: -364.353
Base-Backbone interact. energy: -2.869
local terms energy: -457.157642
where:
bonds (distance) C4'-P energy: -96.341
bonds (distance) P-C4' energy: -120.513
flat angles C4'-P-C4' energy: -100.476
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -84.087
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: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -853.654596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.654596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.654596 (E_RNA)
where:
Base-Base interactions energy: -468.278
where: short stacking energy: -240.388
Base-Backbone interact. energy: -2.193
local terms energy: -383.183420
where:
bonds (distance) C4'-P energy: -100.942
bonds (distance) P-C4' energy: -94.325
flat angles C4'-P-C4' energy: -99.054
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -28.270
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: 249
Temperature: 1.350000
Total energy: -592.478987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.478987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.478987 (E_RNA)
where:
Base-Base interactions energy: -277.322
where: short stacking energy: -160.005
Base-Backbone interact. energy: -2.831
local terms energy: -312.325325
where:
bonds (distance) C4'-P energy: -97.202
bonds (distance) P-C4' energy: -92.908
flat angles C4'-P-C4' energy: -78.462
flat angles P-C4'-P energy: -60.857
tors. eta vs tors. theta energy: 17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2121.921563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.921563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.921563 (E_RNA)
where:
Base-Base interactions energy: -1499.456
where: short stacking energy: -593.678
Base-Backbone interact. energy: -4.772
local terms energy: -617.692962
where:
bonds (distance) C4'-P energy: -93.748
bonds (distance) P-C4' energy: -122.053
flat angles C4'-P-C4' energy: -133.641
flat angles P-C4'-P energy: -93.932
tors. eta vs tors. theta energy: -174.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1976.640709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.640709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.640709 (E_RNA)
where:
Base-Base interactions energy: -1370.755
where: short stacking energy: -530.296
Base-Backbone interact. energy: -1.417
local terms energy: -604.469022
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -113.530
flat angles C4'-P-C4' energy: -132.881
flat angles P-C4'-P energy: -94.588
tors. eta vs tors. theta energy: -160.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1969.858971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.858971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.858971 (E_RNA)
where:
Base-Base interactions energy: -1383.973
where: short stacking energy: -543.918
Base-Backbone interact. energy: -4.203
local terms energy: -581.683599
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -128.395
flat angles P-C4'-P energy: -85.394
tors. eta vs tors. theta energy: -165.455
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: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1815.003324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.003324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.003324 (E_RNA)
where:
Base-Base interactions energy: -1245.061
where: short stacking energy: -493.152
Base-Backbone interact. energy: -4.546
local terms energy: -565.396019
where:
bonds (distance) C4'-P energy: -99.416
bonds (distance) P-C4' energy: -119.613
flat angles C4'-P-C4' energy: -127.774
flat angles P-C4'-P energy: -75.151
tors. eta vs tors. theta energy: -143.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1612.822221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.822221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.822221 (E_RNA)
where:
Base-Base interactions energy: -1095.368
where: short stacking energy: -464.686
Base-Backbone interact. energy: 1.719
local terms energy: -519.172444
where:
bonds (distance) C4'-P energy: -115.944
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -118.188
flat angles P-C4'-P energy: -61.550
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: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1414.553564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.553564 (E_RNA)
where:
Base-Base interactions energy: -923.501
where: short stacking energy: -437.036
Base-Backbone interact. energy: -0.826
local terms energy: -490.226641
where:
bonds (distance) C4'-P energy: -102.286
bonds (distance) P-C4' energy: -99.891
flat angles C4'-P-C4' energy: -114.821
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -101.955
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: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1412.139366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.139366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.139366 (E_RNA)
where:
Base-Base interactions energy: -938.800
where: short stacking energy: -402.050
Base-Backbone interact. energy: 2.940
local terms energy: -476.280042
where:
bonds (distance) C4'-P energy: -80.622
bonds (distance) P-C4' energy: -101.738
flat angles C4'-P-C4' energy: -117.175
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -102.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1327.225230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.225230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.225230 (E_RNA)
where:
Base-Base interactions energy: -887.324
where: short stacking energy: -390.972
Base-Backbone interact. energy: 6.831
local terms energy: -446.732299
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -110.127
flat angles C4'-P-C4' energy: -91.028
flat angles P-C4'-P energy: -71.532
tors. eta vs tors. theta energy: -83.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -867.498115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.498115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.498115 (E_RNA)
where:
Base-Base interactions energy: -511.092
where: short stacking energy: -257.606
Base-Backbone interact. energy: -2.533
local terms energy: -353.873341
where:
bonds (distance) C4'-P energy: -93.361
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -76.307
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -35.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -600.129657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.129657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.129657 (E_RNA)
where:
Base-Base interactions energy: -286.784
where: short stacking energy: -164.627
Base-Backbone interact. energy: -3.367
local terms energy: -309.978392
where:
bonds (distance) C4'-P energy: -104.766
bonds (distance) P-C4' energy: -97.620
flat angles C4'-P-C4' energy: -60.558
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: 14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2139.475461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.475461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.475461 (E_RNA)
where:
Base-Base interactions energy: -1491.111
where: short stacking energy: -606.125
Base-Backbone interact. energy: -2.627
local terms energy: -645.736763
where:
bonds (distance) C4'-P energy: -113.749
bonds (distance) P-C4' energy: -124.701
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -89.524
tors. eta vs tors. theta energy: -180.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1990.411577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.411577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.411577 (E_RNA)
where:
Base-Base interactions energy: -1343.406
where: short stacking energy: -569.425
Base-Backbone interact. energy: -3.835
local terms energy: -643.170746
where:
bonds (distance) C4'-P energy: -123.979
bonds (distance) P-C4' energy: -122.841
flat angles C4'-P-C4' energy: -138.905
flat angles P-C4'-P energy: -94.327
tors. eta vs tors. theta energy: -163.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1970.499803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.499803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.499803 (E_RNA)
where:
Base-Base interactions energy: -1368.511
where: short stacking energy: -565.727
Base-Backbone interact. energy: -1.988
local terms energy: -600.000609
where:
bonds (distance) C4'-P energy: -94.175
bonds (distance) P-C4' energy: -116.612
flat angles C4'-P-C4' energy: -141.322
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -164.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1838.332367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.332367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.332367 (E_RNA)
where:
Base-Base interactions energy: -1286.299
where: short stacking energy: -517.211
Base-Backbone interact. energy: 2.830
local terms energy: -554.863304
where:
bonds (distance) C4'-P energy: -115.639
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -125.158
flat angles P-C4'-P energy: -85.531
tors. eta vs tors. theta energy: -130.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1654.899400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.899400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.899400 (E_RNA)
where:
Base-Base interactions energy: -1116.850
where: short stacking energy: -445.804
Base-Backbone interact. energy: -3.180
local terms energy: -534.869283
where:
bonds (distance) C4'-P energy: -118.597
bonds (distance) P-C4' energy: -104.402
flat angles C4'-P-C4' energy: -122.312
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: -126.792
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: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1419.898326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.898326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.898326 (E_RNA)
where:
Base-Base interactions energy: -959.779
where: short stacking energy: -395.421
Base-Backbone interact. energy: 1.618
local terms energy: -461.737064
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -118.419
flat angles C4'-P-C4' energy: -103.237
flat angles P-C4'-P energy: -71.737
tors. eta vs tors. theta energy: -85.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1378.824290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.824290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.824290 (E_RNA)
where:
Base-Base interactions energy: -906.388
where: short stacking energy: -391.676
Base-Backbone interact. energy: -0.735
local terms energy: -471.701816
where:
bonds (distance) C4'-P energy: -101.378
bonds (distance) P-C4' energy: -88.851
flat angles C4'-P-C4' energy: -110.900
flat angles P-C4'-P energy: -64.896
tors. eta vs tors. theta energy: -105.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1319.417244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.417244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.417244 (E_RNA)
where:
Base-Base interactions energy: -863.615
where: short stacking energy: -387.123
Base-Backbone interact. energy: -0.973
local terms energy: -454.829912
where:
bonds (distance) C4'-P energy: -89.138
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -97.155
flat angles P-C4'-P energy: -68.249
tors. eta vs tors. theta energy: -96.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -908.001124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.001124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.001124 (E_RNA)
where:
Base-Base interactions energy: -548.417
where: short stacking energy: -267.748
Base-Backbone interact. energy: -1.535
local terms energy: -358.048620
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -112.112
flat angles C4'-P-C4' energy: -77.267
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -36.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -606.652943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.652943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.652943 (E_RNA)
where:
Base-Base interactions energy: -289.276
where: short stacking energy: -174.952
Base-Backbone interact. energy: -4.526
local terms energy: -312.850457
where:
bonds (distance) C4'-P energy: -87.308
bonds (distance) P-C4' energy: -88.093
flat angles C4'-P-C4' energy: -83.258
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2141.380422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.380422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.380422 (E_RNA)
where:
Base-Base interactions energy: -1510.485
where: short stacking energy: -598.105
Base-Backbone interact. energy: -2.034
local terms energy: -628.861188
where:
bonds (distance) C4'-P energy: -112.908
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -130.233
flat angles P-C4'-P energy: -90.338
tors. eta vs tors. theta energy: -175.795
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: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1999.652375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.652375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.652375 (E_RNA)
where:
Base-Base interactions energy: -1407.162
where: short stacking energy: -555.899
Base-Backbone interact. energy: -0.261
local terms energy: -592.229069
where:
bonds (distance) C4'-P energy: -117.794
bonds (distance) P-C4' energy: -116.467
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -158.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1961.442016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.442016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.442016 (E_RNA)
where:
Base-Base interactions energy: -1337.102
where: short stacking energy: -559.178
Base-Backbone interact. energy: 1.582
local terms energy: -625.921710
where:
bonds (distance) C4'-P energy: -104.669
bonds (distance) P-C4' energy: -121.181
flat angles C4'-P-C4' energy: -132.344
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -182.602
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1850.554266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.554266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.554266 (E_RNA)
where:
Base-Base interactions energy: -1287.476
where: short stacking energy: -489.344
Base-Backbone interact. energy: -2.975
local terms energy: -560.103217
where:
bonds (distance) C4'-P energy: -106.430
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -123.871
flat angles P-C4'-P energy: -73.097
tors. eta vs tors. theta energy: -144.362
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: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1648.301342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.301342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.301342 (E_RNA)
where:
Base-Base interactions energy: -1147.284
where: short stacking energy: -460.689
Base-Backbone interact. energy: -3.368
local terms energy: -497.649488
where:
bonds (distance) C4'-P energy: -95.618
bonds (distance) P-C4' energy: -84.886
flat angles C4'-P-C4' energy: -123.605
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -127.505
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: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1533.046832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.046832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.046832 (E_RNA)
where:
Base-Base interactions energy: -1018.352
where: short stacking energy: -448.527
Base-Backbone interact. energy: -1.366
local terms energy: -513.329307
where:
bonds (distance) C4'-P energy: -100.587
bonds (distance) P-C4' energy: -106.196
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -71.933
tors. eta vs tors. theta energy: -116.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1369.409332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.409332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.409332 (E_RNA)
where:
Base-Base interactions energy: -896.398
where: short stacking energy: -377.355
Base-Backbone interact. energy: 1.239
local terms energy: -474.250749
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -119.030
flat angles C4'-P-C4' energy: -100.952
flat angles P-C4'-P energy: -53.079
tors. eta vs tors. theta energy: -89.419
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1296.206034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.206034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.206034 (E_RNA)
where:
Base-Base interactions energy: -846.344
where: short stacking energy: -380.198
Base-Backbone interact. energy: -0.730
local terms energy: -449.131412
where:
bonds (distance) C4'-P energy: -92.101
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -117.225
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -86.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -855.528673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.528673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.528673 (E_RNA)
where:
Base-Base interactions energy: -482.575
where: short stacking energy: -237.666
Base-Backbone interact. energy: -0.622
local terms energy: -372.331574
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -82.940
flat angles P-C4'-P energy: -70.114
tors. eta vs tors. theta energy: -29.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -629.531984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.531984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.531984 (E_RNA)
where:
Base-Base interactions energy: -304.279
where: short stacking energy: -203.165
Base-Backbone interact. energy: 0.593
local terms energy: -325.845266
where:
bonds (distance) C4'-P energy: -78.382
bonds (distance) P-C4' energy: -98.710
flat angles C4'-P-C4' energy: -73.006
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -32.741
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: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2121.388056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.388056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.388056 (E_RNA)
where:
Base-Base interactions energy: -1495.048
where: short stacking energy: -584.812
Base-Backbone interact. energy: -1.589
local terms energy: -624.751564
where:
bonds (distance) C4'-P energy: -104.095
bonds (distance) P-C4' energy: -109.106
flat angles C4'-P-C4' energy: -136.922
flat angles P-C4'-P energy: -96.837
tors. eta vs tors. theta energy: -177.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2027.180735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.180735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.180735 (E_RNA)
where:
Base-Base interactions energy: -1403.398
where: short stacking energy: -582.759
Base-Backbone interact. energy: -1.807
local terms energy: -621.975298
where:
bonds (distance) C4'-P energy: -108.388
bonds (distance) P-C4' energy: -120.779
flat angles C4'-P-C4' energy: -138.288
flat angles P-C4'-P energy: -84.509
tors. eta vs tors. theta energy: -170.011
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: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1966.011659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.011659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.011659 (E_RNA)
where:
Base-Base interactions energy: -1350.694
where: short stacking energy: -546.877
Base-Backbone interact. energy: -1.880
local terms energy: -613.437001
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -122.412
flat angles C4'-P-C4' energy: -124.362
flat angles P-C4'-P energy: -89.684
tors. eta vs tors. theta energy: -167.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1828.337205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.337205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.337205 (E_RNA)
where:
Base-Base interactions energy: -1257.416
where: short stacking energy: -495.118
Base-Backbone interact. energy: 4.722
local terms energy: -575.643730
where:
bonds (distance) C4'-P energy: -116.553
bonds (distance) P-C4' energy: -121.291
flat angles C4'-P-C4' energy: -126.196
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -135.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1697.505000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.505000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.505000 (E_RNA)
where:
Base-Base interactions energy: -1168.207
where: short stacking energy: -489.624
Base-Backbone interact. energy: 0.366
local terms energy: -529.663728
where:
bonds (distance) C4'-P energy: -91.513
bonds (distance) P-C4' energy: -109.045
flat angles C4'-P-C4' energy: -115.331
flat angles P-C4'-P energy: -71.776
tors. eta vs tors. theta energy: -141.999
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: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1501.263170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.263170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.263170 (E_RNA)
where:
Base-Base interactions energy: -1003.964
where: short stacking energy: -432.543
Base-Backbone interact. energy: 2.458
local terms energy: -499.757151
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -92.318
flat angles C4'-P-C4' energy: -118.755
flat angles P-C4'-P energy: -78.249
tors. eta vs tors. theta energy: -111.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1354.933581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.933581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.933581 (E_RNA)
where:
Base-Base interactions energy: -869.183
where: short stacking energy: -378.408
Base-Backbone interact. energy: 0.805
local terms energy: -486.555541
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -101.417
flat angles C4'-P-C4' energy: -114.953
flat angles P-C4'-P energy: -75.651
tors. eta vs tors. theta energy: -89.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1301.981411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.981411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.981411 (E_RNA)
where:
Base-Base interactions energy: -876.788
where: short stacking energy: -362.566
Base-Backbone interact. energy: 5.435
local terms energy: -430.628845
where:
bonds (distance) C4'-P energy: -91.354
bonds (distance) P-C4' energy: -108.615
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -55.559
tors. eta vs tors. theta energy: -81.094
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: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -855.950765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.950765 (E_RNA)
where:
Base-Base interactions energy: -484.729
where: short stacking energy: -243.547
Base-Backbone interact. energy: 0.162
local terms energy: -371.384099
where:
bonds (distance) C4'-P energy: -101.282
bonds (distance) P-C4' energy: -102.442
flat angles C4'-P-C4' energy: -85.286
flat angles P-C4'-P energy: -55.344
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -636.514184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.514184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.514184 (E_RNA)
where:
Base-Base interactions energy: -322.982
where: short stacking energy: -215.845
Base-Backbone interact. energy: 2.829
local terms energy: -316.361310
where:
bonds (distance) C4'-P energy: -95.125
bonds (distance) P-C4' energy: -74.064
flat angles C4'-P-C4' energy: -88.019
flat angles P-C4'-P energy: -50.227
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2139.519255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.519255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.519255 (E_RNA)
where:
Base-Base interactions energy: -1518.887
where: short stacking energy: -599.686
Base-Backbone interact. energy: -0.206
local terms energy: -620.426420
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -115.281
flat angles C4'-P-C4' energy: -127.993
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -177.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1995.333275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.333275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.333275 (E_RNA)
where:
Base-Base interactions energy: -1402.674
where: short stacking energy: -561.789
Base-Backbone interact. energy: -4.035
local terms energy: -588.624913
where:
bonds (distance) C4'-P energy: -102.188
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -130.744
flat angles P-C4'-P energy: -82.318
tors. eta vs tors. theta energy: -165.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1934.363854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.363854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.363854 (E_RNA)
where:
Base-Base interactions energy: -1363.901
where: short stacking energy: -555.172
Base-Backbone interact. energy: -2.373
local terms energy: -568.089972
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -125.074
flat angles P-C4'-P energy: -73.192
tors. eta vs tors. theta energy: -162.229
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: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1834.621279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.621279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.621279 (E_RNA)
where:
Base-Base interactions energy: -1298.730
where: short stacking energy: -521.743
Base-Backbone interact. energy: 2.902
local terms energy: -538.793487
where:
bonds (distance) C4'-P energy: -100.770
bonds (distance) P-C4' energy: -99.769
flat angles C4'-P-C4' energy: -117.025
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -142.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1707.109811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.109811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.109811 (E_RNA)
where:
Base-Base interactions energy: -1160.794
where: short stacking energy: -498.189
Base-Backbone interact. energy: -1.773
local terms energy: -544.542366
where:
bonds (distance) C4'-P energy: -109.911
bonds (distance) P-C4' energy: -95.034
flat angles C4'-P-C4' energy: -117.612
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -143.261
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1526.450430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.450430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.450430 (E_RNA)
where:
Base-Base interactions energy: -1029.518
where: short stacking energy: -454.972
Base-Backbone interact. energy: -1.819
local terms energy: -495.113702
where:
bonds (distance) C4'-P energy: -106.855
bonds (distance) P-C4' energy: -89.975
flat angles C4'-P-C4' energy: -115.446
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -104.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1317.147635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.147635 (E_RNA)
where:
Base-Base interactions energy: -898.557
where: short stacking energy: -399.983
Base-Backbone interact. energy: -0.109
local terms energy: -418.481497
where:
bonds (distance) C4'-P energy: -85.443
bonds (distance) P-C4' energy: -88.995
flat angles C4'-P-C4' energy: -100.849
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -80.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1310.230236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.230236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.230236 (E_RNA)
where:
Base-Base interactions energy: -856.603
where: short stacking energy: -397.319
Base-Backbone interact. energy: 1.524
local terms energy: -455.151248
where:
bonds (distance) C4'-P energy: -98.396
bonds (distance) P-C4' energy: -98.066
flat angles C4'-P-C4' energy: -120.017
flat angles P-C4'-P energy: -66.125
tors. eta vs tors. theta energy: -72.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -815.161087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.161087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.161087 (E_RNA)
where:
Base-Base interactions energy: -453.645
where: short stacking energy: -238.918
Base-Backbone interact. energy: 3.028
local terms energy: -364.544282
where:
bonds (distance) C4'-P energy: -79.639
bonds (distance) P-C4' energy: -114.483
flat angles C4'-P-C4' energy: -81.713
flat angles P-C4'-P energy: -57.071
tors. eta vs tors. theta energy: -31.638
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: 254
Temperature: 1.350000
Total energy: -610.445415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.445415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.445415 (E_RNA)
where:
Base-Base interactions energy: -308.741
where: short stacking energy: -204.303
Base-Backbone interact. energy: -2.299
local terms energy: -299.405272
where:
bonds (distance) C4'-P energy: -81.770
bonds (distance) P-C4' energy: -87.428
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2107.346209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.346209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.346209 (E_RNA)
where:
Base-Base interactions energy: -1489.332
where: short stacking energy: -570.484
Base-Backbone interact. energy: -2.797
local terms energy: -615.216547
where:
bonds (distance) C4'-P energy: -118.095
bonds (distance) P-C4' energy: -108.322
flat angles C4'-P-C4' energy: -139.467
flat angles P-C4'-P energy: -89.377
tors. eta vs tors. theta energy: -159.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2000.153335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.153335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.153335 (E_RNA)
where:
Base-Base interactions energy: -1367.685
where: short stacking energy: -541.491
Base-Backbone interact. energy: -3.969
local terms energy: -628.499780
where:
bonds (distance) C4'-P energy: -115.694
bonds (distance) P-C4' energy: -127.642
flat angles C4'-P-C4' energy: -137.014
flat angles P-C4'-P energy: -94.526
tors. eta vs tors. theta energy: -153.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1932.810242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.810242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.810242 (E_RNA)
where:
Base-Base interactions energy: -1339.189
where: short stacking energy: -532.863
Base-Backbone interact. energy: -4.096
local terms energy: -589.525590
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -98.155
flat angles C4'-P-C4' energy: -120.658
flat angles P-C4'-P energy: -99.673
tors. eta vs tors. theta energy: -164.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1795.928020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.928020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.928020 (E_RNA)
where:
Base-Base interactions energy: -1245.616
where: short stacking energy: -530.203
Base-Backbone interact. energy: -3.707
local terms energy: -546.604830
where:
bonds (distance) C4'-P energy: -97.668
bonds (distance) P-C4' energy: -101.017
flat angles C4'-P-C4' energy: -121.304
flat angles P-C4'-P energy: -81.344
tors. eta vs tors. theta energy: -145.272
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: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1616.092381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.092381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.092381 (E_RNA)
where:
Base-Base interactions energy: -1101.173
where: short stacking energy: -470.760
Base-Backbone interact. energy: 4.054
local terms energy: -518.973187
where:
bonds (distance) C4'-P energy: -104.331
bonds (distance) P-C4' energy: -104.444
flat angles C4'-P-C4' energy: -111.790
flat angles P-C4'-P energy: -73.397
tors. eta vs tors. theta energy: -125.011
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: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1451.528751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.528751 (E_RNA)
where:
Base-Base interactions energy: -952.236
where: short stacking energy: -426.599
Base-Backbone interact. energy: -4.586
local terms energy: -494.706563
where:
bonds (distance) C4'-P energy: -104.030
bonds (distance) P-C4' energy: -92.194
flat angles C4'-P-C4' energy: -120.675
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -110.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1326.717158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.717158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.717158 (E_RNA)
where:
Base-Base interactions energy: -874.249
where: short stacking energy: -395.311
Base-Backbone interact. energy: 1.009
local terms energy: -453.476910
where:
bonds (distance) C4'-P energy: -89.699
bonds (distance) P-C4' energy: -89.308
flat angles C4'-P-C4' energy: -102.130
flat angles P-C4'-P energy: -78.474
tors. eta vs tors. theta energy: -93.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1371.020761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.020761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.020761 (E_RNA)
where:
Base-Base interactions energy: -932.947
where: short stacking energy: -412.532
Base-Backbone interact. energy: -1.100
local terms energy: -436.973752
where:
bonds (distance) C4'-P energy: -82.569
bonds (distance) P-C4' energy: -103.542
flat angles C4'-P-C4' energy: -83.839
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: -107.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -865.403307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.403307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.403307 (E_RNA)
where:
Base-Base interactions energy: -498.110
where: short stacking energy: -275.649
Base-Backbone interact. energy: 0.984
local terms energy: -368.276944
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -110.252
flat angles C4'-P-C4' energy: -74.548
flat angles P-C4'-P energy: -54.878
tors. eta vs tors. theta energy: -37.064
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: 255
Temperature: 1.350000
Total energy: -604.366468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.366468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.366468 (E_RNA)
where:
Base-Base interactions energy: -335.124
where: short stacking energy: -212.775
Base-Backbone interact. energy: 0.144
local terms energy: -269.386215
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -68.657
flat angles C4'-P-C4' energy: -78.928
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: 0.228
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: 256
Temperature: 0.900000
Total energy: -2082.351305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.351305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.351305 (E_RNA)
where:
Base-Base interactions energy: -1451.328
where: short stacking energy: -583.349
Base-Backbone interact. energy: -1.795
local terms energy: -629.228380
where:
bonds (distance) C4'-P energy: -110.281
bonds (distance) P-C4' energy: -120.552
flat angles C4'-P-C4' energy: -137.985
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -165.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1969.150940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.150940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.150940 (E_RNA)
where:
Base-Base interactions energy: -1340.401
where: short stacking energy: -545.634
Base-Backbone interact. energy: -2.299
local terms energy: -626.451322
where:
bonds (distance) C4'-P energy: -132.781
bonds (distance) P-C4' energy: -114.855
flat angles C4'-P-C4' energy: -133.966
flat angles P-C4'-P energy: -89.103
tors. eta vs tors. theta energy: -155.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1937.552658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.552658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.552658 (E_RNA)
where:
Base-Base interactions energy: -1377.798
where: short stacking energy: -519.513
Base-Backbone interact. energy: 0.830
local terms energy: -560.584745
where:
bonds (distance) C4'-P energy: -104.583
bonds (distance) P-C4' energy: -109.541
flat angles C4'-P-C4' energy: -124.251
flat angles P-C4'-P energy: -77.859
tors. eta vs tors. theta energy: -144.351
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: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1780.102922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.102922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.102922 (E_RNA)
where:
Base-Base interactions energy: -1242.264
where: short stacking energy: -484.391
Base-Backbone interact. energy: -2.408
local terms energy: -535.430640
where:
bonds (distance) C4'-P energy: -102.637
bonds (distance) P-C4' energy: -90.001
flat angles C4'-P-C4' energy: -134.783
flat angles P-C4'-P energy: -79.667
tors. eta vs tors. theta energy: -128.343
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: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1656.699548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.699548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.699548 (E_RNA)
where:
Base-Base interactions energy: -1107.487
where: short stacking energy: -471.761
Base-Backbone interact. energy: -0.815
local terms energy: -548.397115
where:
bonds (distance) C4'-P energy: -103.919
bonds (distance) P-C4' energy: -100.469
flat angles C4'-P-C4' energy: -118.521
flat angles P-C4'-P energy: -85.786
tors. eta vs tors. theta energy: -139.702
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: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1459.620947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.620947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.620947 (E_RNA)
where:
Base-Base interactions energy: -972.430
where: short stacking energy: -436.197
Base-Backbone interact. energy: 3.258
local terms energy: -490.448773
where:
bonds (distance) C4'-P energy: -113.206
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -105.930
flat angles P-C4'-P energy: -79.174
tors. eta vs tors. theta energy: -96.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1398.156078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.156078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.156078 (E_RNA)
where:
Base-Base interactions energy: -945.533
where: short stacking energy: -400.066
Base-Backbone interact. energy: -1.746
local terms energy: -450.877659
where:
bonds (distance) C4'-P energy: -108.908
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -99.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1267.950250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.950250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.950250 (E_RNA)
where:
Base-Base interactions energy: -844.375
where: short stacking energy: -338.762
Base-Backbone interact. energy: -0.286
local terms energy: -423.289699
where:
bonds (distance) C4'-P energy: -90.497
bonds (distance) P-C4' energy: -112.445
flat angles C4'-P-C4' energy: -90.244
flat angles P-C4'-P energy: -63.537
tors. eta vs tors. theta energy: -66.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -872.065718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.065718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.065718 (E_RNA)
where:
Base-Base interactions energy: -497.424
where: short stacking energy: -242.044
Base-Backbone interact. energy: -2.428
local terms energy: -372.212875
where:
bonds (distance) C4'-P energy: -78.789
bonds (distance) P-C4' energy: -103.395
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -66.039
tors. eta vs tors. theta energy: -32.075
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: 256
Temperature: 1.350000
Total energy: -608.567832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.567832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.567832 (E_RNA)
where:
Base-Base interactions energy: -290.702
where: short stacking energy: -168.852
Base-Backbone interact. energy: -0.689
local terms energy: -317.177197
where:
bonds (distance) C4'-P energy: -85.615
bonds (distance) P-C4' energy: -101.931
flat angles C4'-P-C4' energy: -78.737
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2115.340919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.340919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.340919 (E_RNA)
where:
Base-Base interactions energy: -1492.572
where: short stacking energy: -594.566
Base-Backbone interact. energy: -2.986
local terms energy: -619.783845
where:
bonds (distance) C4'-P energy: -99.720
bonds (distance) P-C4' energy: -113.455
flat angles C4'-P-C4' energy: -139.755
flat angles P-C4'-P energy: -99.189
tors. eta vs tors. theta energy: -167.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2001.182168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.182168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.182168 (E_RNA)
where:
Base-Base interactions energy: -1399.867
where: short stacking energy: -572.014
Base-Backbone interact. energy: 0.650
local terms energy: -601.964918
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -108.829
flat angles C4'-P-C4' energy: -132.290
flat angles P-C4'-P energy: -83.563
tors. eta vs tors. theta energy: -159.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1937.634475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.634475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.634475 (E_RNA)
where:
Base-Base interactions energy: -1350.933
where: short stacking energy: -558.669
Base-Backbone interact. energy: -1.667
local terms energy: -585.035008
where:
bonds (distance) C4'-P energy: -106.513
bonds (distance) P-C4' energy: -121.964
flat angles C4'-P-C4' energy: -116.403
flat angles P-C4'-P energy: -79.214
tors. eta vs tors. theta energy: -160.941
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: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1807.500268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.500268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.500268 (E_RNA)
where:
Base-Base interactions energy: -1228.377
where: short stacking energy: -498.675
Base-Backbone interact. energy: -3.952
local terms energy: -575.171259
where:
bonds (distance) C4'-P energy: -114.270
bonds (distance) P-C4' energy: -118.102
flat angles C4'-P-C4' energy: -124.164
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -135.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1644.359041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.359041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.359041 (E_RNA)
where:
Base-Base interactions energy: -1105.925
where: short stacking energy: -485.727
Base-Backbone interact. energy: -0.865
local terms energy: -537.569047
where:
bonds (distance) C4'-P energy: -101.862
bonds (distance) P-C4' energy: -88.294
flat angles C4'-P-C4' energy: -127.671
flat angles P-C4'-P energy: -73.874
tors. eta vs tors. theta energy: -145.868
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1423.467052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.467052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.467052 (E_RNA)
where:
Base-Base interactions energy: -935.084
where: short stacking energy: -398.310
Base-Backbone interact. energy: 3.104
local terms energy: -491.486506
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -104.998
flat angles C4'-P-C4' energy: -122.660
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -93.615
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: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1402.806546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.806546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.806546 (E_RNA)
where:
Base-Base interactions energy: -908.187
where: short stacking energy: -414.096
Base-Backbone interact. energy: 0.604
local terms energy: -495.223789
where:
bonds (distance) C4'-P energy: -106.883
bonds (distance) P-C4' energy: -111.677
flat angles C4'-P-C4' energy: -114.448
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -96.827
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: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1359.306081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.306081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.306081 (E_RNA)
where:
Base-Base interactions energy: -881.407
where: short stacking energy: -400.004
Base-Backbone interact. energy: -2.113
local terms energy: -475.786277
where:
bonds (distance) C4'-P energy: -111.032
bonds (distance) P-C4' energy: -111.549
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -70.493
tors. eta vs tors. theta energy: -90.019
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: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -900.344559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.344559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.344559 (E_RNA)
where:
Base-Base interactions energy: -551.131
where: short stacking energy: -273.317
Base-Backbone interact. energy: 5.679
local terms energy: -354.893007
where:
bonds (distance) C4'-P energy: -99.900
bonds (distance) P-C4' energy: -87.378
flat angles C4'-P-C4' energy: -68.770
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -42.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -574.085765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.085765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.085765 (E_RNA)
where:
Base-Base interactions energy: -274.332
where: short stacking energy: -149.837
Base-Backbone interact. energy: 4.070
local terms energy: -303.823812
where:
bonds (distance) C4'-P energy: -85.552
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -76.135
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: 4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2082.878876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.878876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.878876 (E_RNA)
where:
Base-Base interactions energy: -1471.476
where: short stacking energy: -580.643
Base-Backbone interact. energy: -0.899
local terms energy: -610.503409
where:
bonds (distance) C4'-P energy: -104.812
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -131.381
flat angles P-C4'-P energy: -86.553
tors. eta vs tors. theta energy: -166.525
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: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1979.403711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.403711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.403711 (E_RNA)
where:
Base-Base interactions energy: -1393.671
where: short stacking energy: -548.925
Base-Backbone interact. energy: -3.494
local terms energy: -582.239317
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -110.984
flat angles C4'-P-C4' energy: -118.327
flat angles P-C4'-P energy: -75.517
tors. eta vs tors. theta energy: -159.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1930.176359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.176359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.176359 (E_RNA)
where:
Base-Base interactions energy: -1345.442
where: short stacking energy: -573.354
Base-Backbone interact. energy: 2.617
local terms energy: -587.352113
where:
bonds (distance) C4'-P energy: -108.336
bonds (distance) P-C4' energy: -104.198
flat angles C4'-P-C4' energy: -120.290
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -165.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1762.097390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.097390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.097390 (E_RNA)
where:
Base-Base interactions energy: -1231.096
where: short stacking energy: -509.081
Base-Backbone interact. energy: -2.209
local terms energy: -528.792040
where:
bonds (distance) C4'-P energy: -92.053
bonds (distance) P-C4' energy: -104.114
flat angles C4'-P-C4' energy: -120.900
flat angles P-C4'-P energy: -75.752
tors. eta vs tors. theta energy: -135.973
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: 258
Temperature: 1.100000
Total energy: -1667.288427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.288427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.288427 (E_RNA)
where:
Base-Base interactions energy: -1129.199
where: short stacking energy: -448.727
Base-Backbone interact. energy: -2.092
local terms energy: -535.997306
where:
bonds (distance) C4'-P energy: -105.549
bonds (distance) P-C4' energy: -104.333
flat angles C4'-P-C4' energy: -112.102
flat angles P-C4'-P energy: -83.929
tors. eta vs tors. theta energy: -130.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1439.017784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.017784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.017784 (E_RNA)
where:
Base-Base interactions energy: -924.739
where: short stacking energy: -407.108
Base-Backbone interact. energy: -1.626
local terms energy: -512.652376
where:
bonds (distance) C4'-P energy: -95.967
bonds (distance) P-C4' energy: -121.104
flat angles C4'-P-C4' energy: -123.217
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -110.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1378.770985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.770985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.770985 (E_RNA)
where:
Base-Base interactions energy: -912.905
where: short stacking energy: -394.570
Base-Backbone interact. energy: -5.025
local terms energy: -460.841474
where:
bonds (distance) C4'-P energy: -88.689
bonds (distance) P-C4' energy: -107.904
flat angles C4'-P-C4' energy: -107.530
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -87.690
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: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1363.936643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.936643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.936643 (E_RNA)
where:
Base-Base interactions energy: -901.965
where: short stacking energy: -411.707
Base-Backbone interact. energy: -3.267
local terms energy: -458.705258
where:
bonds (distance) C4'-P energy: -89.470
bonds (distance) P-C4' energy: -119.270
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -64.689
tors. eta vs tors. theta energy: -100.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -905.077373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.077373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.077373 (E_RNA)
where:
Base-Base interactions energy: -533.410
where: short stacking energy: -261.537
Base-Backbone interact. energy: -0.369
local terms energy: -371.298889
where:
bonds (distance) C4'-P energy: -109.424
bonds (distance) P-C4' energy: -94.203
flat angles C4'-P-C4' energy: -94.251
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -27.640
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: 258
Temperature: 1.350000
Total energy: -570.974949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.974949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.974949 (E_RNA)
where:
Base-Base interactions energy: -256.795
where: short stacking energy: -174.129
Base-Backbone interact. energy: -2.108
local terms energy: -312.071267
where:
bonds (distance) C4'-P energy: -102.275
bonds (distance) P-C4' energy: -85.013
flat angles C4'-P-C4' energy: -88.231
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: 20.406
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: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2129.232363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.232363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.232363 (E_RNA)
where:
Base-Base interactions energy: -1483.653
where: short stacking energy: -595.618
Base-Backbone interact. energy: -1.344
local terms energy: -644.235165
where:
bonds (distance) C4'-P energy: -114.580
bonds (distance) P-C4' energy: -133.051
flat angles C4'-P-C4' energy: -129.348
flat angles P-C4'-P energy: -87.568
tors. eta vs tors. theta energy: -179.688
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1976.832557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.832557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.832557 (E_RNA)
where:
Base-Base interactions energy: -1382.473
where: short stacking energy: -565.564
Base-Backbone interact. energy: -2.023
local terms energy: -592.336619
where:
bonds (distance) C4'-P energy: -103.193
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -133.663
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -163.287
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1938.264757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.264757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.264757 (E_RNA)
where:
Base-Base interactions energy: -1366.589
where: short stacking energy: -561.833
Base-Backbone interact. energy: -2.629
local terms energy: -569.046171
where:
bonds (distance) C4'-P energy: -103.945
bonds (distance) P-C4' energy: -101.406
flat angles C4'-P-C4' energy: -130.070
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -161.120
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: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1758.305342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.305342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.305342 (E_RNA)
where:
Base-Base interactions energy: -1237.888
where: short stacking energy: -485.432
Base-Backbone interact. energy: 0.875
local terms energy: -521.292795
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -100.859
flat angles C4'-P-C4' energy: -119.550
flat angles P-C4'-P energy: -80.408
tors. eta vs tors. theta energy: -133.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1640.797592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.797592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.797592 (E_RNA)
where:
Base-Base interactions energy: -1119.180
where: short stacking energy: -486.455
Base-Backbone interact. energy: 0.146
local terms energy: -521.763471
where:
bonds (distance) C4'-P energy: -100.746
bonds (distance) P-C4' energy: -95.379
flat angles C4'-P-C4' energy: -113.414
flat angles P-C4'-P energy: -77.917
tors. eta vs tors. theta energy: -134.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1459.950991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.950991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.950991 (E_RNA)
where:
Base-Base interactions energy: -972.121
where: short stacking energy: -430.140
Base-Backbone interact. energy: -2.159
local terms energy: -485.670620
where:
bonds (distance) C4'-P energy: -102.861
bonds (distance) P-C4' energy: -104.634
flat angles C4'-P-C4' energy: -109.717
flat angles P-C4'-P energy: -69.162
tors. eta vs tors. theta energy: -99.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1395.941019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.941019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.941019 (E_RNA)
where:
Base-Base interactions energy: -945.657
where: short stacking energy: -408.423
Base-Backbone interact. energy: 1.558
local terms energy: -451.842277
where:
bonds (distance) C4'-P energy: -84.176
bonds (distance) P-C4' energy: -105.067
flat angles C4'-P-C4' energy: -110.617
flat angles P-C4'-P energy: -71.795
tors. eta vs tors. theta energy: -80.188
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: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1435.907374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.907374 (E_RNA)
where:
Base-Base interactions energy: -953.098
where: short stacking energy: -425.627
Base-Backbone interact. energy: -0.424
local terms energy: -482.385317
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -118.829
flat angles C4'-P-C4' energy: -94.365
flat angles P-C4'-P energy: -68.330
tors. eta vs tors. theta energy: -116.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -868.982908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.982908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.982908 (E_RNA)
where:
Base-Base interactions energy: -518.243
where: short stacking energy: -243.478
Base-Backbone interact. energy: 6.048
local terms energy: -356.788070
where:
bonds (distance) C4'-P energy: -89.443
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -90.968
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -21.393
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -560.481099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.481099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.481099 (E_RNA)
where:
Base-Base interactions energy: -260.378
where: short stacking energy: -165.653
Base-Backbone interact. energy: 6.008
local terms energy: -306.111572
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -99.106
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -58.542
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2118.247756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.247756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.247756 (E_RNA)
where:
Base-Base interactions energy: -1475.433
where: short stacking energy: -601.773
Base-Backbone interact. energy: -1.947
local terms energy: -640.868002
where:
bonds (distance) C4'-P energy: -116.542
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -133.164
flat angles P-C4'-P energy: -93.954
tors. eta vs tors. theta energy: -180.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1950.113109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.113109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.113109 (E_RNA)
where:
Base-Base interactions energy: -1352.977
where: short stacking energy: -552.575
Base-Backbone interact. energy: -2.404
local terms energy: -594.732470
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -114.265
flat angles C4'-P-C4' energy: -128.388
flat angles P-C4'-P energy: -80.017
tors. eta vs tors. theta energy: -157.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1914.254598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.254598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.254598 (E_RNA)
where:
Base-Base interactions energy: -1337.024
where: short stacking energy: -531.270
Base-Backbone interact. energy: -6.053
local terms energy: -571.178422
where:
bonds (distance) C4'-P energy: -111.046
bonds (distance) P-C4' energy: -99.468
flat angles C4'-P-C4' energy: -124.482
flat angles P-C4'-P energy: -90.410
tors. eta vs tors. theta energy: -145.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1822.700732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.700732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.700732 (E_RNA)
where:
Base-Base interactions energy: -1281.780
where: short stacking energy: -480.862
Base-Backbone interact. energy: -1.724
local terms energy: -539.196914
where:
bonds (distance) C4'-P energy: -98.221
bonds (distance) P-C4' energy: -105.288
flat angles C4'-P-C4' energy: -111.067
flat angles P-C4'-P energy: -86.314
tors. eta vs tors. theta energy: -138.306
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: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1647.200994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.200994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.200994 (E_RNA)
where:
Base-Base interactions energy: -1088.326
where: short stacking energy: -446.383
Base-Backbone interact. energy: -0.039
local terms energy: -558.836670
where:
bonds (distance) C4'-P energy: -100.877
bonds (distance) P-C4' energy: -122.794
flat angles C4'-P-C4' energy: -120.950
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -130.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1503.494607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.494607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.494607 (E_RNA)
where:
Base-Base interactions energy: -996.606
where: short stacking energy: -432.881
Base-Backbone interact. energy: -0.067
local terms energy: -506.822007
where:
bonds (distance) C4'-P energy: -98.870
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -120.835
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -110.187
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1414.352163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.352163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.352163 (E_RNA)
where:
Base-Base interactions energy: -959.594
where: short stacking energy: -422.051
Base-Backbone interact. energy: 2.027
local terms energy: -456.784929
where:
bonds (distance) C4'-P energy: -78.434
bonds (distance) P-C4' energy: -108.736
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -58.982
tors. eta vs tors. theta energy: -104.767
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1324.296949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.296949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.296949 (E_RNA)
where:
Base-Base interactions energy: -901.269
where: short stacking energy: -381.602
Base-Backbone interact. energy: -3.982
local terms energy: -419.046136
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -85.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -886.954310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.954310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.954310 (E_RNA)
where:
Base-Base interactions energy: -509.423
where: short stacking energy: -244.218
Base-Backbone interact. energy: 0.261
local terms energy: -377.792275
where:
bonds (distance) C4'-P energy: -92.926
bonds (distance) P-C4' energy: -108.507
flat angles C4'-P-C4' energy: -90.617
flat angles P-C4'-P energy: -58.119
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -661.908273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.908273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.908273 (E_RNA)
where:
Base-Base interactions energy: -375.774
where: short stacking energy: -182.024
Base-Backbone interact. energy: 3.130
local terms energy: -289.264503
where:
bonds (distance) C4'-P energy: -88.527
bonds (distance) P-C4' energy: -85.335
flat angles C4'-P-C4' energy: -84.299
flat angles P-C4'-P energy: -45.715
tors. eta vs tors. theta energy: 14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2133.601765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.601765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.601765 (E_RNA)
where:
Base-Base interactions energy: -1484.604
where: short stacking energy: -595.083
Base-Backbone interact. energy: -2.010
local terms energy: -646.987855
where:
bonds (distance) C4'-P energy: -119.342
bonds (distance) P-C4' energy: -117.873
flat angles C4'-P-C4' energy: -141.061
flat angles P-C4'-P energy: -90.543
tors. eta vs tors. theta energy: -178.169
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: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2012.648893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.648893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.648893 (E_RNA)
where:
Base-Base interactions energy: -1395.924
where: short stacking energy: -591.322
Base-Backbone interact. energy: -1.898
local terms energy: -614.826523
where:
bonds (distance) C4'-P energy: -130.099
bonds (distance) P-C4' energy: -100.693
flat angles C4'-P-C4' energy: -134.112
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -167.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1892.666759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.666759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.666759 (E_RNA)
where:
Base-Base interactions energy: -1312.131
where: short stacking energy: -534.754
Base-Backbone interact. energy: -3.621
local terms energy: -576.914891
where:
bonds (distance) C4'-P energy: -110.828
bonds (distance) P-C4' energy: -112.900
flat angles C4'-P-C4' energy: -122.851
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -151.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1782.455056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.455056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.455056 (E_RNA)
where:
Base-Base interactions energy: -1241.411
where: short stacking energy: -508.441
Base-Backbone interact. energy: 0.174
local terms energy: -541.217643
where:
bonds (distance) C4'-P energy: -102.549
bonds (distance) P-C4' energy: -95.516
flat angles C4'-P-C4' energy: -121.913
flat angles P-C4'-P energy: -71.864
tors. eta vs tors. theta energy: -149.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1640.092203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.092203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.092203 (E_RNA)
where:
Base-Base interactions energy: -1127.027
where: short stacking energy: -495.183
Base-Backbone interact. energy: 0.394
local terms energy: -513.459297
where:
bonds (distance) C4'-P energy: -102.684
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -114.602
flat angles P-C4'-P energy: -70.375
tors. eta vs tors. theta energy: -125.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1501.895338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.895338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.895338 (E_RNA)
where:
Base-Base interactions energy: -1004.403
where: short stacking energy: -428.316
Base-Backbone interact. energy: -1.295
local terms energy: -496.197251
where:
bonds (distance) C4'-P energy: -98.941
bonds (distance) P-C4' energy: -104.887
flat angles C4'-P-C4' energy: -114.551
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -109.955
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: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1442.582381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.582381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.582381 (E_RNA)
where:
Base-Base interactions energy: -982.843
where: short stacking energy: -436.607
Base-Backbone interact. energy: -0.714
local terms energy: -459.025671
where:
bonds (distance) C4'-P energy: -88.311
bonds (distance) P-C4' energy: -78.840
flat angles C4'-P-C4' energy: -105.199
flat angles P-C4'-P energy: -76.120
tors. eta vs tors. theta energy: -110.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1243.453197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.453197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.453197 (E_RNA)
where:
Base-Base interactions energy: -801.787
where: short stacking energy: -332.754
Base-Backbone interact. energy: 0.251
local terms energy: -441.917369
where:
bonds (distance) C4'-P energy: -102.567
bonds (distance) P-C4' energy: -100.629
flat angles C4'-P-C4' energy: -91.667
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -87.004
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: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -877.372270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.372270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.372270 (E_RNA)
where:
Base-Base interactions energy: -503.396
where: short stacking energy: -241.929
Base-Backbone interact. energy: 3.125
local terms energy: -377.101716
where:
bonds (distance) C4'-P energy: -113.149
bonds (distance) P-C4' energy: -95.885
flat angles C4'-P-C4' energy: -102.242
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -670.173480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.173480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.173480 (E_RNA)
where:
Base-Base interactions energy: -347.626
where: short stacking energy: -184.799
Base-Backbone interact. energy: 3.447
local terms energy: -325.995080
where:
bonds (distance) C4'-P energy: -78.802
bonds (distance) P-C4' energy: -114.147
flat angles C4'-P-C4' energy: -90.120
flat angles P-C4'-P energy: -48.170
tors. eta vs tors. theta energy: 5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2117.098333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.098333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.098333 (E_RNA)
where:
Base-Base interactions energy: -1481.642
where: short stacking energy: -587.267
Base-Backbone interact. energy: -3.795
local terms energy: -631.661295
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -119.778
flat angles C4'-P-C4' energy: -128.319
flat angles P-C4'-P energy: -99.525
tors. eta vs tors. theta energy: -172.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1970.322674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.322674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.322674 (E_RNA)
where:
Base-Base interactions energy: -1374.855
where: short stacking energy: -584.704
Base-Backbone interact. energy: -1.924
local terms energy: -593.544475
where:
bonds (distance) C4'-P energy: -101.341
bonds (distance) P-C4' energy: -103.381
flat angles C4'-P-C4' energy: -126.996
flat angles P-C4'-P energy: -93.874
tors. eta vs tors. theta energy: -167.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1929.079980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.079980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.079980 (E_RNA)
where:
Base-Base interactions energy: -1359.647
where: short stacking energy: -550.733
Base-Backbone interact. energy: -4.602
local terms energy: -564.830758
where:
bonds (distance) C4'-P energy: -98.822
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -121.404
flat angles P-C4'-P energy: -87.238
tors. eta vs tors. theta energy: -148.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1763.426725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.426725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.426725 (E_RNA)
where:
Base-Base interactions energy: -1247.958
where: short stacking energy: -494.615
Base-Backbone interact. energy: -2.454
local terms energy: -513.014744
where:
bonds (distance) C4'-P energy: -100.514
bonds (distance) P-C4' energy: -82.524
flat angles C4'-P-C4' energy: -119.477
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -139.189
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: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1687.716490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.716490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.716490 (E_RNA)
where:
Base-Base interactions energy: -1152.277
where: short stacking energy: -493.041
Base-Backbone interact. energy: -4.398
local terms energy: -531.041080
where:
bonds (distance) C4'-P energy: -96.157
bonds (distance) P-C4' energy: -110.398
flat angles C4'-P-C4' energy: -105.281
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -142.324
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1511.521499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.521499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.521499 (E_RNA)
where:
Base-Base interactions energy: -1003.081
where: short stacking energy: -445.913
Base-Backbone interact. energy: -2.937
local terms energy: -505.503855
where:
bonds (distance) C4'-P energy: -91.238
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -112.087
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -115.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1371.969756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.969756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.969756 (E_RNA)
where:
Base-Base interactions energy: -910.909
where: short stacking energy: -388.267
Base-Backbone interact. energy: -1.504
local terms energy: -459.556777
where:
bonds (distance) C4'-P energy: -80.441
bonds (distance) P-C4' energy: -101.265
flat angles C4'-P-C4' energy: -113.189
flat angles P-C4'-P energy: -66.506
tors. eta vs tors. theta energy: -98.155
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: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1239.434573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.434573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.434573 (E_RNA)
where:
Base-Base interactions energy: -818.816
where: short stacking energy: -348.962
Base-Backbone interact. energy: -1.670
local terms energy: -418.948700
where:
bonds (distance) C4'-P energy: -79.102
bonds (distance) P-C4' energy: -88.717
flat angles C4'-P-C4' energy: -104.273
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: -71.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -848.445492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.445492 (E_RNA)
where:
Base-Base interactions energy: -459.446
where: short stacking energy: -209.210
Base-Backbone interact. energy: -1.950
local terms energy: -387.049802
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -83.922
flat angles P-C4'-P energy: -71.847
tors. eta vs tors. theta energy: -32.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -638.285185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.285185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.285185 (E_RNA)
where:
Base-Base interactions energy: -322.935
where: short stacking energy: -170.665
Base-Backbone interact. energy: 3.318
local terms energy: -318.667815
where:
bonds (distance) C4'-P energy: -81.813
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -84.125
flat angles P-C4'-P energy: -51.820
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2107.658216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.658216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.658216 (E_RNA)
where:
Base-Base interactions energy: -1495.612
where: short stacking energy: -568.474
Base-Backbone interact. energy: -2.901
local terms energy: -609.145212
where:
bonds (distance) C4'-P energy: -100.177
bonds (distance) P-C4' energy: -121.443
flat angles C4'-P-C4' energy: -124.832
flat angles P-C4'-P energy: -86.104
tors. eta vs tors. theta energy: -176.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2002.152579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.152579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.152579 (E_RNA)
where:
Base-Base interactions energy: -1400.563
where: short stacking energy: -575.703
Base-Backbone interact. energy: -1.848
local terms energy: -599.741291
where:
bonds (distance) C4'-P energy: -109.818
bonds (distance) P-C4' energy: -120.415
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -72.327
tors. eta vs tors. theta energy: -164.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1979.450420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.450420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.450420 (E_RNA)
where:
Base-Base interactions energy: -1383.970
where: short stacking energy: -555.542
Base-Backbone interact. energy: -6.548
local terms energy: -588.933189
where:
bonds (distance) C4'-P energy: -111.932
bonds (distance) P-C4' energy: -118.047
flat angles C4'-P-C4' energy: -131.256
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -152.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1718.360977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.360977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.360977 (E_RNA)
where:
Base-Base interactions energy: -1154.748
where: short stacking energy: -476.786
Base-Backbone interact. energy: -1.899
local terms energy: -561.714169
where:
bonds (distance) C4'-P energy: -114.049
bonds (distance) P-C4' energy: -109.359
flat angles C4'-P-C4' energy: -128.839
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -131.252
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: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1723.613116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.613116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.613116 (E_RNA)
where:
Base-Base interactions energy: -1231.807
where: short stacking energy: -486.092
Base-Backbone interact. energy: -1.943
local terms energy: -489.863514
where:
bonds (distance) C4'-P energy: -96.621
bonds (distance) P-C4' energy: -98.187
flat angles C4'-P-C4' energy: -109.855
flat angles P-C4'-P energy: -65.125
tors. eta vs tors. theta energy: -120.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1418.968609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.968609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.968609 (E_RNA)
where:
Base-Base interactions energy: -955.587
where: short stacking energy: -424.446
Base-Backbone interact. energy: -1.534
local terms energy: -461.847890
where:
bonds (distance) C4'-P energy: -96.771
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -107.862
flat angles P-C4'-P energy: -58.739
tors. eta vs tors. theta energy: -102.257
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: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1430.075165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.075165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.075165 (E_RNA)
where:
Base-Base interactions energy: -949.756
where: short stacking energy: -438.014
Base-Backbone interact. energy: -1.403
local terms energy: -478.915756
where:
bonds (distance) C4'-P energy: -91.419
bonds (distance) P-C4' energy: -95.622
flat angles C4'-P-C4' energy: -115.513
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -112.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1206.090831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.090831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.090831 (E_RNA)
where:
Base-Base interactions energy: -779.421
where: short stacking energy: -340.598
Base-Backbone interact. energy: -0.104
local terms energy: -426.566473
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -104.249
flat angles C4'-P-C4' energy: -98.174
flat angles P-C4'-P energy: -68.463
tors. eta vs tors. theta energy: -69.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -839.323399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.323399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.323399 (E_RNA)
where:
Base-Base interactions energy: -479.981
where: short stacking energy: -243.595
Base-Backbone interact. energy: 3.006
local terms energy: -362.348394
where:
bonds (distance) C4'-P energy: -95.660
bonds (distance) P-C4' energy: -108.101
flat angles C4'-P-C4' energy: -89.046
flat angles P-C4'-P energy: -58.966
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -655.921405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.921405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.921405 (E_RNA)
where:
Base-Base interactions energy: -322.230
where: short stacking energy: -191.734
Base-Backbone interact. energy: -0.503
local terms energy: -333.188336
where:
bonds (distance) C4'-P energy: -103.151
bonds (distance) P-C4' energy: -85.214
flat angles C4'-P-C4' energy: -97.800
flat angles P-C4'-P energy: -51.170
tors. eta vs tors. theta energy: 4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2098.803452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.803452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.803452 (E_RNA)
where:
Base-Base interactions energy: -1486.164
where: short stacking energy: -566.352
Base-Backbone interact. energy: -4.222
local terms energy: -608.417008
where:
bonds (distance) C4'-P energy: -108.816
bonds (distance) P-C4' energy: -115.283
flat angles C4'-P-C4' energy: -140.422
flat angles P-C4'-P energy: -78.438
tors. eta vs tors. theta energy: -165.457
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: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1963.998397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.998397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.998397 (E_RNA)
where:
Base-Base interactions energy: -1332.911
where: short stacking energy: -545.920
Base-Backbone interact. energy: -2.530
local terms energy: -628.558184
where:
bonds (distance) C4'-P energy: -120.964
bonds (distance) P-C4' energy: -121.617
flat angles C4'-P-C4' energy: -130.188
flat angles P-C4'-P energy: -89.233
tors. eta vs tors. theta energy: -166.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1944.892058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.892058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.892058 (E_RNA)
where:
Base-Base interactions energy: -1358.564
where: short stacking energy: -550.732
Base-Backbone interact. energy: -4.782
local terms energy: -581.545169
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -101.885
flat angles C4'-P-C4' energy: -130.642
flat angles P-C4'-P energy: -68.278
tors. eta vs tors. theta energy: -164.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1703.626536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.626536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.626536 (E_RNA)
where:
Base-Base interactions energy: -1149.188
where: short stacking energy: -469.896
Base-Backbone interact. energy: -3.715
local terms energy: -550.723976
where:
bonds (distance) C4'-P energy: -103.688
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -114.847
flat angles P-C4'-P energy: -88.226
tors. eta vs tors. theta energy: -137.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1691.184966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.184966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.184966 (E_RNA)
where:
Base-Base interactions energy: -1135.271
where: short stacking energy: -462.998
Base-Backbone interact. energy: -2.682
local terms energy: -553.232097
where:
bonds (distance) C4'-P energy: -96.819
bonds (distance) P-C4' energy: -113.068
flat angles C4'-P-C4' energy: -118.782
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -134.154
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: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1417.298180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.298180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.298180 (E_RNA)
where:
Base-Base interactions energy: -933.631
where: short stacking energy: -377.098
Base-Backbone interact. energy: -1.661
local terms energy: -482.006153
where:
bonds (distance) C4'-P energy: -101.236
bonds (distance) P-C4' energy: -110.162
flat angles C4'-P-C4' energy: -106.651
flat angles P-C4'-P energy: -75.741
tors. eta vs tors. theta energy: -88.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1423.141576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.141576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.141576 (E_RNA)
where:
Base-Base interactions energy: -962.598
where: short stacking energy: -420.536
Base-Backbone interact. energy: -1.904
local terms energy: -458.639582
where:
bonds (distance) C4'-P energy: -90.875
bonds (distance) P-C4' energy: -98.706
flat angles C4'-P-C4' energy: -95.379
flat angles P-C4'-P energy: -75.491
tors. eta vs tors. theta energy: -98.188
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: 264
Temperature: 1.250000
Total energy: -1268.632529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.632529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.632529 (E_RNA)
where:
Base-Base interactions energy: -816.256
where: short stacking energy: -369.509
Base-Backbone interact. energy: -0.412
local terms energy: -451.964634
where:
bonds (distance) C4'-P energy: -88.745
bonds (distance) P-C4' energy: -113.161
flat angles C4'-P-C4' energy: -92.119
flat angles P-C4'-P energy: -63.802
tors. eta vs tors. theta energy: -94.137
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: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -841.140212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.140212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.140212 (E_RNA)
where:
Base-Base interactions energy: -499.742
where: short stacking energy: -242.111
Base-Backbone interact. energy: 6.621
local terms energy: -348.019814
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -102.837
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: -14.691
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: 264
Temperature: 1.350000
Total energy: -628.005005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.005005 (E_RNA)
where:
Base-Base interactions energy: -318.478
where: short stacking energy: -183.359
Base-Backbone interact. energy: -2.867
local terms energy: -306.660297
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -107.308
flat angles C4'-P-C4' energy: -74.258
flat angles P-C4'-P energy: -44.506
tors. eta vs tors. theta energy: 2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2108.505829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.505829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.505829 (E_RNA)
where:
Base-Base interactions energy: -1495.697
where: short stacking energy: -587.796
Base-Backbone interact. energy: -4.656
local terms energy: -608.152771
where:
bonds (distance) C4'-P energy: -113.808
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -126.888
flat angles P-C4'-P energy: -90.498
tors. eta vs tors. theta energy: -166.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1982.538918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.538918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.538918 (E_RNA)
where:
Base-Base interactions energy: -1389.142
where: short stacking energy: -570.798
Base-Backbone interact. energy: 0.626
local terms energy: -594.023143
where:
bonds (distance) C4'-P energy: -109.601
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -119.479
flat angles P-C4'-P energy: -85.231
tors. eta vs tors. theta energy: -161.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1931.605178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.605178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.605178 (E_RNA)
where:
Base-Base interactions energy: -1336.775
where: short stacking energy: -547.824
Base-Backbone interact. energy: -1.087
local terms energy: -593.742877
where:
bonds (distance) C4'-P energy: -108.908
bonds (distance) P-C4' energy: -122.274
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -87.202
tors. eta vs tors. theta energy: -160.219
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: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1751.245989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.245989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.245989 (E_RNA)
where:
Base-Base interactions energy: -1209.773
where: short stacking energy: -520.980
Base-Backbone interact. energy: -2.975
local terms energy: -538.497621
where:
bonds (distance) C4'-P energy: -100.760
bonds (distance) P-C4' energy: -104.496
flat angles C4'-P-C4' energy: -115.029
flat angles P-C4'-P energy: -71.769
tors. eta vs tors. theta energy: -146.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1678.336213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.336213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.336213 (E_RNA)
where:
Base-Base interactions energy: -1142.126
where: short stacking energy: -505.989
Base-Backbone interact. energy: -0.147
local terms energy: -536.063826
where:
bonds (distance) C4'-P energy: -106.875
bonds (distance) P-C4' energy: -102.873
flat angles C4'-P-C4' energy: -105.109
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -146.854
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: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1445.318474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.318474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.318474 (E_RNA)
where:
Base-Base interactions energy: -956.976
where: short stacking energy: -402.448
Base-Backbone interact. energy: 4.272
local terms energy: -492.614921
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -108.260
flat angles C4'-P-C4' energy: -108.972
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -110.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1448.525071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.525071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.525071 (E_RNA)
where:
Base-Base interactions energy: -958.791
where: short stacking energy: -434.724
Base-Backbone interact. energy: -2.375
local terms energy: -487.359661
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -107.359
flat angles C4'-P-C4' energy: -102.288
flat angles P-C4'-P energy: -76.376
tors. eta vs tors. theta energy: -107.872
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: 265
Temperature: 1.250000
Total energy: -1210.858473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.858473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.858473 (E_RNA)
where:
Base-Base interactions energy: -787.760
where: short stacking energy: -360.702
Base-Backbone interact. energy: -1.061
local terms energy: -422.037562
where:
bonds (distance) C4'-P energy: -95.873
bonds (distance) P-C4' energy: -100.901
flat angles C4'-P-C4' energy: -99.249
flat angles P-C4'-P energy: -54.995
tors. eta vs tors. theta energy: -71.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -850.140317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.140317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.140317 (E_RNA)
where:
Base-Base interactions energy: -509.013
where: short stacking energy: -284.773
Base-Backbone interact. energy: -0.961
local terms energy: -340.166671
where:
bonds (distance) C4'-P energy: -77.936
bonds (distance) P-C4' energy: -90.655
flat angles C4'-P-C4' energy: -82.986
flat angles P-C4'-P energy: -54.874
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -611.153035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.153035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.153035 (E_RNA)
where:
Base-Base interactions energy: -294.094
where: short stacking energy: -155.656
Base-Backbone interact. energy: 0.083
local terms energy: -317.141733
where:
bonds (distance) C4'-P energy: -111.874
bonds (distance) P-C4' energy: -92.364
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: 3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2137.560736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.560736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.560736 (E_RNA)
where:
Base-Base interactions energy: -1503.183
where: short stacking energy: -626.500
Base-Backbone interact. energy: 3.781
local terms energy: -638.158366
where:
bonds (distance) C4'-P energy: -119.173
bonds (distance) P-C4' energy: -116.190
flat angles C4'-P-C4' energy: -139.458
flat angles P-C4'-P energy: -81.905
tors. eta vs tors. theta energy: -181.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1966.187726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.187726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.187726 (E_RNA)
where:
Base-Base interactions energy: -1366.992
where: short stacking energy: -546.038
Base-Backbone interact. energy: -3.317
local terms energy: -595.878699
where:
bonds (distance) C4'-P energy: -119.377
bonds (distance) P-C4' energy: -111.208
flat angles C4'-P-C4' energy: -128.355
flat angles P-C4'-P energy: -82.718
tors. eta vs tors. theta energy: -154.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1927.429631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.429631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.429631 (E_RNA)
where:
Base-Base interactions energy: -1335.336
where: short stacking energy: -554.469
Base-Backbone interact. energy: -1.832
local terms energy: -590.262015
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -110.953
flat angles C4'-P-C4' energy: -119.990
flat angles P-C4'-P energy: -90.084
tors. eta vs tors. theta energy: -160.117
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1803.809962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.809962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.809962 (E_RNA)
where:
Base-Base interactions energy: -1253.423
where: short stacking energy: -513.477
Base-Backbone interact. energy: -2.381
local terms energy: -548.005901
where:
bonds (distance) C4'-P energy: -96.218
bonds (distance) P-C4' energy: -104.084
flat angles C4'-P-C4' energy: -120.386
flat angles P-C4'-P energy: -78.751
tors. eta vs tors. theta energy: -148.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1692.384036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.384036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.384036 (E_RNA)
where:
Base-Base interactions energy: -1152.235
where: short stacking energy: -476.952
Base-Backbone interact. energy: -0.645
local terms energy: -539.504151
where:
bonds (distance) C4'-P energy: -108.948
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -106.660
flat angles P-C4'-P energy: -85.444
tors. eta vs tors. theta energy: -131.924
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1461.154735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.154735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.154735 (E_RNA)
where:
Base-Base interactions energy: -961.229
where: short stacking energy: -430.836
Base-Backbone interact. energy: 1.852
local terms energy: -501.777755
where:
bonds (distance) C4'-P energy: -100.485
bonds (distance) P-C4' energy: -97.476
flat angles C4'-P-C4' energy: -118.081
flat angles P-C4'-P energy: -77.462
tors. eta vs tors. theta energy: -108.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1408.831478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.831478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.831478 (E_RNA)
where:
Base-Base interactions energy: -951.047
where: short stacking energy: -425.367
Base-Backbone interact. energy: -2.067
local terms energy: -455.718081
where:
bonds (distance) C4'-P energy: -89.966
bonds (distance) P-C4' energy: -91.401
flat angles C4'-P-C4' energy: -109.253
flat angles P-C4'-P energy: -63.724
tors. eta vs tors. theta energy: -101.375
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: 266
Temperature: 1.250000
Total energy: -1240.254448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.254448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.254448 (E_RNA)
where:
Base-Base interactions energy: -785.265
where: short stacking energy: -354.757
Base-Backbone interact. energy: -3.493
local terms energy: -451.496394
where:
bonds (distance) C4'-P energy: -94.355
bonds (distance) P-C4' energy: -111.242
flat angles C4'-P-C4' energy: -107.091
flat angles P-C4'-P energy: -62.393
tors. eta vs tors. theta energy: -76.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -847.912989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.912989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.912989 (E_RNA)
where:
Base-Base interactions energy: -483.452
where: short stacking energy: -259.505
Base-Backbone interact. energy: 0.794
local terms energy: -365.255262
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -102.872
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -69.043
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -603.607726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.607726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.607726 (E_RNA)
where:
Base-Base interactions energy: -270.736
where: short stacking energy: -175.388
Base-Backbone interact. energy: 2.195
local terms energy: -335.066794
where:
bonds (distance) C4'-P energy: -97.211
bonds (distance) P-C4' energy: -110.461
flat angles C4'-P-C4' energy: -86.622
flat angles P-C4'-P energy: -40.138
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2134.964211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.964211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.964211 (E_RNA)
where:
Base-Base interactions energy: -1501.189
where: short stacking energy: -597.326
Base-Backbone interact. energy: 1.161
local terms energy: -634.936068
where:
bonds (distance) C4'-P energy: -108.835
bonds (distance) P-C4' energy: -118.606
flat angles C4'-P-C4' energy: -136.607
flat angles P-C4'-P energy: -94.570
tors. eta vs tors. theta energy: -176.318
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: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1914.854342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.854342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.854342 (E_RNA)
where:
Base-Base interactions energy: -1337.366
where: short stacking energy: -554.702
Base-Backbone interact. energy: -0.287
local terms energy: -577.200939
where:
bonds (distance) C4'-P energy: -104.843
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -136.207
flat angles P-C4'-P energy: -78.669
tors. eta vs tors. theta energy: -149.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1900.733945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.733945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.733945 (E_RNA)
where:
Base-Base interactions energy: -1319.829
where: short stacking energy: -537.110
Base-Backbone interact. energy: -2.873
local terms energy: -578.031988
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -113.166
flat angles C4'-P-C4' energy: -117.928
flat angles P-C4'-P energy: -96.331
tors. eta vs tors. theta energy: -143.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1776.670086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.670086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.670086 (E_RNA)
where:
Base-Base interactions energy: -1258.671
where: short stacking energy: -531.109
Base-Backbone interact. energy: 3.721
local terms energy: -521.719845
where:
bonds (distance) C4'-P energy: -94.905
bonds (distance) P-C4' energy: -98.620
flat angles C4'-P-C4' energy: -120.195
flat angles P-C4'-P energy: -71.374
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1656.323316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.323316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.323316 (E_RNA)
where:
Base-Base interactions energy: -1122.897
where: short stacking energy: -477.349
Base-Backbone interact. energy: -1.570
local terms energy: -531.856303
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -110.412
flat angles C4'-P-C4' energy: -113.536
flat angles P-C4'-P energy: -72.670
tors. eta vs tors. theta energy: -132.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1509.772367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.772367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.772367 (E_RNA)
where:
Base-Base interactions energy: -1009.489
where: short stacking energy: -433.922
Base-Backbone interact. energy: -0.666
local terms energy: -499.617005
where:
bonds (distance) C4'-P energy: -107.526
bonds (distance) P-C4' energy: -101.134
flat angles C4'-P-C4' energy: -109.421
flat angles P-C4'-P energy: -67.947
tors. eta vs tors. theta energy: -113.589
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1410.905528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.905528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.905528 (E_RNA)
where:
Base-Base interactions energy: -942.570
where: short stacking energy: -413.852
Base-Backbone interact. energy: -1.162
local terms energy: -467.173691
where:
bonds (distance) C4'-P energy: -100.059
bonds (distance) P-C4' energy: -84.999
flat angles C4'-P-C4' energy: -116.324
flat angles P-C4'-P energy: -55.075
tors. eta vs tors. theta energy: -110.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1209.390852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.390852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.390852 (E_RNA)
where:
Base-Base interactions energy: -764.183
where: short stacking energy: -350.683
Base-Backbone interact. energy: -0.383
local terms energy: -444.824939
where:
bonds (distance) C4'-P energy: -79.853
bonds (distance) P-C4' energy: -117.506
flat angles C4'-P-C4' energy: -113.899
flat angles P-C4'-P energy: -67.459
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -869.204431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.204431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.204431 (E_RNA)
where:
Base-Base interactions energy: -483.353
where: short stacking energy: -243.228
Base-Backbone interact. energy: -1.159
local terms energy: -384.692256
where:
bonds (distance) C4'-P energy: -97.528
bonds (distance) P-C4' energy: -104.589
flat angles C4'-P-C4' energy: -83.801
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -31.145
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: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -609.313752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.313752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.313752 (E_RNA)
where:
Base-Base interactions energy: -295.713
where: short stacking energy: -178.637
Base-Backbone interact. energy: 2.657
local terms energy: -316.257564
where:
bonds (distance) C4'-P energy: -86.504
bonds (distance) P-C4' energy: -93.733
flat angles C4'-P-C4' energy: -87.595
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: 6.607
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: 268
Temperature: 0.900000
Total energy: -2114.859230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.859230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.859230 (E_RNA)
where:
Base-Base interactions energy: -1480.373
where: short stacking energy: -600.117
Base-Backbone interact. energy: 0.954
local terms energy: -635.440509
where:
bonds (distance) C4'-P energy: -114.776
bonds (distance) P-C4' energy: -112.776
flat angles C4'-P-C4' energy: -137.906
flat angles P-C4'-P energy: -89.413
tors. eta vs tors. theta energy: -180.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1984.617492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.617492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.617492 (E_RNA)
where:
Base-Base interactions energy: -1382.330
where: short stacking energy: -569.273
Base-Backbone interact. energy: -5.331
local terms energy: -596.955985
where:
bonds (distance) C4'-P energy: -105.189
bonds (distance) P-C4' energy: -116.997
flat angles C4'-P-C4' energy: -120.895
flat angles P-C4'-P energy: -94.634
tors. eta vs tors. theta energy: -159.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1920.309339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.309339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.309339 (E_RNA)
where:
Base-Base interactions energy: -1343.361
where: short stacking energy: -549.942
Base-Backbone interact. energy: 0.131
local terms energy: -577.079650
where:
bonds (distance) C4'-P energy: -100.291
bonds (distance) P-C4' energy: -115.054
flat angles C4'-P-C4' energy: -125.484
flat angles P-C4'-P energy: -86.151
tors. eta vs tors. theta energy: -150.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1814.991307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.991307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.991307 (E_RNA)
where:
Base-Base interactions energy: -1272.760
where: short stacking energy: -515.774
Base-Backbone interact. energy: -5.904
local terms energy: -536.327408
where:
bonds (distance) C4'-P energy: -86.387
bonds (distance) P-C4' energy: -90.697
flat angles C4'-P-C4' energy: -127.568
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -151.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1652.077781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.077781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.077781 (E_RNA)
where:
Base-Base interactions energy: -1102.377
where: short stacking energy: -459.680
Base-Backbone interact. energy: -2.218
local terms energy: -547.482347
where:
bonds (distance) C4'-P energy: -108.163
bonds (distance) P-C4' energy: -119.953
flat angles C4'-P-C4' energy: -116.989
flat angles P-C4'-P energy: -67.110
tors. eta vs tors. theta energy: -135.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1494.584034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.584034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.584034 (E_RNA)
where:
Base-Base interactions energy: -1011.397
where: short stacking energy: -462.142
Base-Backbone interact. energy: -0.510
local terms energy: -482.677206
where:
bonds (distance) C4'-P energy: -100.079
bonds (distance) P-C4' energy: -94.010
flat angles C4'-P-C4' energy: -117.785
flat angles P-C4'-P energy: -55.579
tors. eta vs tors. theta energy: -115.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1437.988936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.988936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.988936 (E_RNA)
where:
Base-Base interactions energy: -961.664
where: short stacking energy: -425.758
Base-Backbone interact. energy: 1.211
local terms energy: -477.536013
where:
bonds (distance) C4'-P energy: -77.850
bonds (distance) P-C4' energy: -96.463
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -73.219
tors. eta vs tors. theta energy: -104.381
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: 268
Temperature: 1.250000
Total energy: -1122.485419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.485419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.485419 (E_RNA)
where:
Base-Base interactions energy: -719.613
where: short stacking energy: -301.922
Base-Backbone interact. energy: 0.172
local terms energy: -403.045295
where:
bonds (distance) C4'-P energy: -89.194
bonds (distance) P-C4' energy: -105.590
flat angles C4'-P-C4' energy: -90.663
flat angles P-C4'-P energy: -71.124
tors. eta vs tors. theta energy: -46.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -891.561606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.561606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.561606 (E_RNA)
where:
Base-Base interactions energy: -521.566
where: short stacking energy: -271.006
Base-Backbone interact. energy: -2.796
local terms energy: -367.198773
where:
bonds (distance) C4'-P energy: -108.534
bonds (distance) P-C4' energy: -90.406
flat angles C4'-P-C4' energy: -88.436
flat angles P-C4'-P energy: -50.937
tors. eta vs tors. theta energy: -28.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -562.877224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.877224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.877224 (E_RNA)
where:
Base-Base interactions energy: -261.916
where: short stacking energy: -173.507
Base-Backbone interact. energy: 2.229
local terms energy: -303.190130
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -88.938
flat angles C4'-P-C4' energy: -88.443
flat angles P-C4'-P energy: -41.991
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2103.730653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.730653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.730653 (E_RNA)
where:
Base-Base interactions energy: -1488.180
where: short stacking energy: -603.552
Base-Backbone interact. energy: -1.361
local terms energy: -614.189130
where:
bonds (distance) C4'-P energy: -112.690
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -125.312
flat angles P-C4'-P energy: -83.096
tors. eta vs tors. theta energy: -180.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1966.642677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.642677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.642677 (E_RNA)
where:
Base-Base interactions energy: -1370.489
where: short stacking energy: -571.541
Base-Backbone interact. energy: -1.849
local terms energy: -594.304053
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -119.795
flat angles C4'-P-C4' energy: -116.672
flat angles P-C4'-P energy: -74.165
tors. eta vs tors. theta energy: -166.854
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: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1942.902271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.902271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.902271 (E_RNA)
where:
Base-Base interactions energy: -1353.676
where: short stacking energy: -558.906
Base-Backbone interact. energy: -6.186
local terms energy: -583.039573
where:
bonds (distance) C4'-P energy: -105.089
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -111.485
flat angles P-C4'-P energy: -91.052
tors. eta vs tors. theta energy: -165.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1804.012247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.012247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.012247 (E_RNA)
where:
Base-Base interactions energy: -1245.734
where: short stacking energy: -497.040
Base-Backbone interact. energy: -3.102
local terms energy: -555.175570
where:
bonds (distance) C4'-P energy: -110.305
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -116.933
flat angles P-C4'-P energy: -88.139
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: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1657.528036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.528036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.528036 (E_RNA)
where:
Base-Base interactions energy: -1127.754
where: short stacking energy: -481.518
Base-Backbone interact. energy: -0.466
local terms energy: -529.308074
where:
bonds (distance) C4'-P energy: -98.614
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -114.876
flat angles P-C4'-P energy: -76.395
tors. eta vs tors. theta energy: -134.259
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1499.617884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.617884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.617884 (E_RNA)
where:
Base-Base interactions energy: -993.264
where: short stacking energy: -441.217
Base-Backbone interact. energy: -1.772
local terms energy: -504.582655
where:
bonds (distance) C4'-P energy: -106.792
bonds (distance) P-C4' energy: -98.647
flat angles C4'-P-C4' energy: -110.924
flat angles P-C4'-P energy: -74.706
tors. eta vs tors. theta energy: -113.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1439.494698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.494698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.494698 (E_RNA)
where:
Base-Base interactions energy: -967.925
where: short stacking energy: -428.673
Base-Backbone interact. energy: 1.383
local terms energy: -472.952894
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -82.182
flat angles C4'-P-C4' energy: -102.827
flat angles P-C4'-P energy: -59.839
tors. eta vs tors. theta energy: -123.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1167.870095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.870095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.870095 (E_RNA)
where:
Base-Base interactions energy: -741.623
where: short stacking energy: -342.951
Base-Backbone interact. energy: -2.332
local terms energy: -423.914658
where:
bonds (distance) C4'-P energy: -111.421
bonds (distance) P-C4' energy: -88.263
flat angles C4'-P-C4' energy: -105.011
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -854.241587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.241587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.241587 (E_RNA)
where:
Base-Base interactions energy: -469.496
where: short stacking energy: -229.219
Base-Backbone interact. energy: -0.586
local terms energy: -384.159630
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -92.139
flat angles P-C4'-P energy: -56.750
tors. eta vs tors. theta energy: -36.269
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: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -539.618185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.618185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.618185 (E_RNA)
where:
Base-Base interactions energy: -233.430
where: short stacking energy: -145.104
Base-Backbone interact. energy: 4.035
local terms energy: -310.223138
where:
bonds (distance) C4'-P energy: -87.895
bonds (distance) P-C4' energy: -102.850
flat angles C4'-P-C4' energy: -90.790
flat angles P-C4'-P energy: -44.629
tors. eta vs tors. theta energy: 15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2113.621981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.621981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.621981 (E_RNA)
where:
Base-Base interactions energy: -1467.686
where: short stacking energy: -602.829
Base-Backbone interact. energy: 0.144
local terms energy: -646.080425
where:
bonds (distance) C4'-P energy: -116.599
bonds (distance) P-C4' energy: -131.053
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -96.934
tors. eta vs tors. theta energy: -175.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2010.673104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.673104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.673104 (E_RNA)
where:
Base-Base interactions energy: -1406.199
where: short stacking energy: -603.083
Base-Backbone interact. energy: -3.442
local terms energy: -601.032086
where:
bonds (distance) C4'-P energy: -109.241
bonds (distance) P-C4' energy: -120.925
flat angles C4'-P-C4' energy: -134.026
flat angles P-C4'-P energy: -69.155
tors. eta vs tors. theta energy: -167.686
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1917.244553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.244553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.244553 (E_RNA)
where:
Base-Base interactions energy: -1326.615
where: short stacking energy: -542.975
Base-Backbone interact. energy: -4.061
local terms energy: -586.569042
where:
bonds (distance) C4'-P energy: -105.793
bonds (distance) P-C4' energy: -105.793
flat angles C4'-P-C4' energy: -128.881
flat angles P-C4'-P energy: -86.440
tors. eta vs tors. theta energy: -159.662
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1820.901361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.901361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.901361 (E_RNA)
where:
Base-Base interactions energy: -1261.429
where: short stacking energy: -518.189
Base-Backbone interact. energy: -2.485
local terms energy: -556.987482
where:
bonds (distance) C4'-P energy: -107.322
bonds (distance) P-C4' energy: -108.823
flat angles C4'-P-C4' energy: -125.984
flat angles P-C4'-P energy: -78.827
tors. eta vs tors. theta energy: -136.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1626.995256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.995256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.995256 (E_RNA)
where:
Base-Base interactions energy: -1097.262
where: short stacking energy: -475.391
Base-Backbone interact. energy: 0.007
local terms energy: -529.740075
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -113.825
flat angles C4'-P-C4' energy: -121.794
flat angles P-C4'-P energy: -71.256
tors. eta vs tors. theta energy: -127.462
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: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1525.088417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.088417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.088417 (E_RNA)
where:
Base-Base interactions energy: -1027.716
where: short stacking energy: -462.464
Base-Backbone interact. energy: -2.309
local terms energy: -495.063654
where:
bonds (distance) C4'-P energy: -90.507
bonds (distance) P-C4' energy: -107.194
flat angles C4'-P-C4' energy: -106.932
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -122.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1410.653425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.653425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.653425 (E_RNA)
where:
Base-Base interactions energy: -924.685
where: short stacking energy: -397.990
Base-Backbone interact. energy: -1.197
local terms energy: -484.770561
where:
bonds (distance) C4'-P energy: -99.487
bonds (distance) P-C4' energy: -115.821
flat angles C4'-P-C4' energy: -100.916
flat angles P-C4'-P energy: -65.895
tors. eta vs tors. theta energy: -102.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1189.049849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.049849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.049849 (E_RNA)
where:
Base-Base interactions energy: -736.985
where: short stacking energy: -330.593
Base-Backbone interact. energy: -1.072
local terms energy: -450.993587
where:
bonds (distance) C4'-P energy: -95.775
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -110.234
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -73.045
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: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -876.172863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.172863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.172863 (E_RNA)
where:
Base-Base interactions energy: -519.056
where: short stacking energy: -262.375
Base-Backbone interact. energy: 3.652
local terms energy: -360.769484
where:
bonds (distance) C4'-P energy: -92.754
bonds (distance) P-C4' energy: -96.164
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -69.752
tors. eta vs tors. theta energy: -19.971
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: 270
Temperature: 1.350000
Total energy: -600.783064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.783064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.783064 (E_RNA)
where:
Base-Base interactions energy: -294.683
where: short stacking energy: -170.149
Base-Backbone interact. energy: 0.195
local terms energy: -306.295657
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -83.206
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: 15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2067.662447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.662447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.662447 (E_RNA)
where:
Base-Base interactions energy: -1463.114
where: short stacking energy: -579.891
Base-Backbone interact. energy: -3.889
local terms energy: -600.659488
where:
bonds (distance) C4'-P energy: -109.638
bonds (distance) P-C4' energy: -112.676
flat angles C4'-P-C4' energy: -124.398
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -172.156
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1994.510950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.510950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.510950 (E_RNA)
where:
Base-Base interactions energy: -1392.602
where: short stacking energy: -558.812
Base-Backbone interact. energy: -1.888
local terms energy: -600.020656
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -118.883
flat angles C4'-P-C4' energy: -122.346
flat angles P-C4'-P energy: -71.947
tors. eta vs tors. theta energy: -164.951
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: 271
Temperature: 1.000000
Total energy: -1939.562359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.562359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.562359 (E_RNA)
where:
Base-Base interactions energy: -1361.257
where: short stacking energy: -544.137
Base-Backbone interact. energy: -3.601
local terms energy: -574.704290
where:
bonds (distance) C4'-P energy: -110.170
bonds (distance) P-C4' energy: -107.145
flat angles C4'-P-C4' energy: -125.168
flat angles P-C4'-P energy: -76.082
tors. eta vs tors. theta energy: -156.139
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: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1804.667262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.667262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.667262 (E_RNA)
where:
Base-Base interactions energy: -1262.542
where: short stacking energy: -514.043
Base-Backbone interact. energy: -0.049
local terms energy: -542.076252
where:
bonds (distance) C4'-P energy: -108.001
bonds (distance) P-C4' energy: -90.181
flat angles C4'-P-C4' energy: -112.965
flat angles P-C4'-P energy: -72.721
tors. eta vs tors. theta energy: -158.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1658.544842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.544842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.544842 (E_RNA)
where:
Base-Base interactions energy: -1122.132
where: short stacking energy: -483.709
Base-Backbone interact. energy: -0.248
local terms energy: -536.164134
where:
bonds (distance) C4'-P energy: -113.486
bonds (distance) P-C4' energy: -104.964
flat angles C4'-P-C4' energy: -121.195
flat angles P-C4'-P energy: -75.940
tors. eta vs tors. theta energy: -120.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1541.973532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.973532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.973532 (E_RNA)
where:
Base-Base interactions energy: -1016.270
where: short stacking energy: -443.270
Base-Backbone interact. energy: 0.616
local terms energy: -526.319366
where:
bonds (distance) C4'-P energy: -112.867
bonds (distance) P-C4' energy: -110.851
flat angles C4'-P-C4' energy: -114.167
flat angles P-C4'-P energy: -63.594
tors. eta vs tors. theta energy: -124.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1420.032617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.032617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.032617 (E_RNA)
where:
Base-Base interactions energy: -966.892
where: short stacking energy: -399.716
Base-Backbone interact. energy: 5.511
local terms energy: -458.652446
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -90.226
flat angles P-C4'-P energy: -58.365
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: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1232.147910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.147910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.147910 (E_RNA)
where:
Base-Base interactions energy: -809.072
where: short stacking energy: -362.907
Base-Backbone interact. energy: 3.125
local terms energy: -426.201561
where:
bonds (distance) C4'-P energy: -105.675
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -103.773
flat angles P-C4'-P energy: -55.648
tors. eta vs tors. theta energy: -81.489
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: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -850.362286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.362286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.362286 (E_RNA)
where:
Base-Base interactions energy: -520.303
where: short stacking energy: -251.496
Base-Backbone interact. energy: 3.221
local terms energy: -333.280378
where:
bonds (distance) C4'-P energy: -78.267
bonds (distance) P-C4' energy: -83.157
flat angles C4'-P-C4' energy: -96.821
flat angles P-C4'-P energy: -52.136
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -554.838534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.838534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.838534 (E_RNA)
where:
Base-Base interactions energy: -239.512
where: short stacking energy: -131.483
Base-Backbone interact. energy: -0.268
local terms energy: -315.058732
where:
bonds (distance) C4'-P energy: -92.584
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -85.944
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: 8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2070.813399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.813399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.813399 (E_RNA)
where:
Base-Base interactions energy: -1444.847
where: short stacking energy: -578.511
Base-Backbone interact. energy: -0.993
local terms energy: -624.973008
where:
bonds (distance) C4'-P energy: -118.837
bonds (distance) P-C4' energy: -119.549
flat angles C4'-P-C4' energy: -133.147
flat angles P-C4'-P energy: -89.947
tors. eta vs tors. theta energy: -163.492
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: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1996.754247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.754247 (E_RNA)
where:
Base-Base interactions energy: -1409.655
where: short stacking energy: -571.025
Base-Backbone interact. energy: -2.555
local terms energy: -584.544160
where:
bonds (distance) C4'-P energy: -113.985
bonds (distance) P-C4' energy: -104.098
flat angles C4'-P-C4' energy: -119.945
flat angles P-C4'-P energy: -83.359
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: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1908.980160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.980160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.980160 (E_RNA)
where:
Base-Base interactions energy: -1326.604
where: short stacking energy: -557.973
Base-Backbone interact. energy: -2.258
local terms energy: -580.117885
where:
bonds (distance) C4'-P energy: -113.525
bonds (distance) P-C4' energy: -109.356
flat angles C4'-P-C4' energy: -125.324
flat angles P-C4'-P energy: -86.131
tors. eta vs tors. theta energy: -145.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1755.996194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.996194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.996194 (E_RNA)
where:
Base-Base interactions energy: -1216.766
where: short stacking energy: -490.541
Base-Backbone interact. energy: -7.226
local terms energy: -532.003899
where:
bonds (distance) C4'-P energy: -103.847
bonds (distance) P-C4' energy: -118.051
flat angles C4'-P-C4' energy: -122.482
flat angles P-C4'-P energy: -68.249
tors. eta vs tors. theta energy: -119.374
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: 272
Temperature: 1.100000
Total energy: -1602.279873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.279873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.279873 (E_RNA)
where:
Base-Base interactions energy: -1086.293
where: short stacking energy: -476.551
Base-Backbone interact. energy: 3.711
local terms energy: -519.698483
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -94.624
flat angles C4'-P-C4' energy: -120.579
flat angles P-C4'-P energy: -81.992
tors. eta vs tors. theta energy: -110.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1517.819827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.819827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.819827 (E_RNA)
where:
Base-Base interactions energy: -1018.548
where: short stacking energy: -421.029
Base-Backbone interact. energy: -1.706
local terms energy: -497.566031
where:
bonds (distance) C4'-P energy: -101.103
bonds (distance) P-C4' energy: -109.807
flat angles C4'-P-C4' energy: -87.599
flat angles P-C4'-P energy: -81.189
tors. eta vs tors. theta energy: -117.868
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: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1483.171300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.171300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.171300 (E_RNA)
where:
Base-Base interactions energy: -1017.437
where: short stacking energy: -423.826
Base-Backbone interact. energy: -1.370
local terms energy: -464.364806
where:
bonds (distance) C4'-P energy: -90.170
bonds (distance) P-C4' energy: -98.136
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -71.347
tors. eta vs tors. theta energy: -107.239
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: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1212.318520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.318520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.318520 (E_RNA)
where:
Base-Base interactions energy: -784.367
where: short stacking energy: -337.810
Base-Backbone interact. energy: 0.813
local terms energy: -428.764904
where:
bonds (distance) C4'-P energy: -98.581
bonds (distance) P-C4' energy: -88.869
flat angles C4'-P-C4' energy: -110.739
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: -72.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -882.916863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.916863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.916863 (E_RNA)
where:
Base-Base interactions energy: -511.088
where: short stacking energy: -262.719
Base-Backbone interact. energy: -1.885
local terms energy: -369.943985
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -98.597
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -64.395
tors. eta vs tors. theta energy: -40.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -596.728154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.728154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.728154 (E_RNA)
where:
Base-Base interactions energy: -280.596
where: short stacking energy: -174.760
Base-Backbone interact. energy: -1.060
local terms energy: -315.072947
where:
bonds (distance) C4'-P energy: -81.235
bonds (distance) P-C4' energy: -105.059
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -48.871
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2083.592940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.592940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.592940 (E_RNA)
where:
Base-Base interactions energy: -1485.136
where: short stacking energy: -584.999
Base-Backbone interact. energy: -0.844
local terms energy: -597.612848
where:
bonds (distance) C4'-P energy: -117.523
bonds (distance) P-C4' energy: -107.846
flat angles C4'-P-C4' energy: -118.577
flat angles P-C4'-P energy: -89.853
tors. eta vs tors. theta energy: -163.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1980.595058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.595058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.595058 (E_RNA)
where:
Base-Base interactions energy: -1356.187
where: short stacking energy: -567.322
Base-Backbone interact. energy: -2.497
local terms energy: -621.911359
where:
bonds (distance) C4'-P energy: -114.592
bonds (distance) P-C4' energy: -110.287
flat angles C4'-P-C4' energy: -147.024
flat angles P-C4'-P energy: -83.981
tors. eta vs tors. theta energy: -166.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1911.301837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.301837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.301837 (E_RNA)
where:
Base-Base interactions energy: -1330.761
where: short stacking energy: -543.360
Base-Backbone interact. energy: -3.100
local terms energy: -577.440594
where:
bonds (distance) C4'-P energy: -96.803
bonds (distance) P-C4' energy: -113.120
flat angles C4'-P-C4' energy: -125.181
flat angles P-C4'-P energy: -88.700
tors. eta vs tors. theta energy: -153.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1790.704097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.704097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.704097 (E_RNA)
where:
Base-Base interactions energy: -1228.338
where: short stacking energy: -520.974
Base-Backbone interact. energy: -1.666
local terms energy: -560.700474
where:
bonds (distance) C4'-P energy: -100.968
bonds (distance) P-C4' energy: -119.697
flat angles C4'-P-C4' energy: -115.986
flat angles P-C4'-P energy: -83.406
tors. eta vs tors. theta energy: -140.643
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: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1596.621789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.621789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.621789 (E_RNA)
where:
Base-Base interactions energy: -1079.865
where: short stacking energy: -474.792
Base-Backbone interact. energy: -3.080
local terms energy: -513.677277
where:
bonds (distance) C4'-P energy: -96.222
bonds (distance) P-C4' energy: -101.790
flat angles C4'-P-C4' energy: -116.097
flat angles P-C4'-P energy: -69.477
tors. eta vs tors. theta energy: -130.091
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: 273
Temperature: 1.150000
Total energy: -1552.100944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.100944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.100944 (E_RNA)
where:
Base-Base interactions energy: -1071.596
where: short stacking energy: -465.935
Base-Backbone interact. energy: -0.040
local terms energy: -480.465176
where:
bonds (distance) C4'-P energy: -96.751
bonds (distance) P-C4' energy: -90.358
flat angles C4'-P-C4' energy: -118.765
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: -112.129
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1416.239362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.239362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.239362 (E_RNA)
where:
Base-Base interactions energy: -939.948
where: short stacking energy: -429.247
Base-Backbone interact. energy: -3.830
local terms energy: -472.461962
where:
bonds (distance) C4'-P energy: -94.763
bonds (distance) P-C4' energy: -114.779
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: -101.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1193.128239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.128239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.128239 (E_RNA)
where:
Base-Base interactions energy: -786.815
where: short stacking energy: -358.784
Base-Backbone interact. energy: 6.929
local terms energy: -413.241995
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -98.199
flat angles C4'-P-C4' energy: -99.181
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -828.060994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.060994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.060994 (E_RNA)
where:
Base-Base interactions energy: -481.444
where: short stacking energy: -239.882
Base-Backbone interact. energy: -0.178
local terms energy: -346.438732
where:
bonds (distance) C4'-P energy: -89.128
bonds (distance) P-C4' energy: -91.298
flat angles C4'-P-C4' energy: -93.860
flat angles P-C4'-P energy: -58.290
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -606.054730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.054730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.054730 (E_RNA)
where:
Base-Base interactions energy: -296.311
where: short stacking energy: -170.843
Base-Backbone interact. energy: -2.320
local terms energy: -307.423994
where:
bonds (distance) C4'-P energy: -79.273
bonds (distance) P-C4' energy: -98.979
flat angles C4'-P-C4' energy: -81.168
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: 7.411
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: 274
Temperature: 0.900000
Total energy: -2085.070418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.070418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.070418 (E_RNA)
where:
Base-Base interactions energy: -1448.352
where: short stacking energy: -581.760
Base-Backbone interact. energy: 3.669
local terms energy: -640.387341
where:
bonds (distance) C4'-P energy: -112.263
bonds (distance) P-C4' energy: -127.648
flat angles C4'-P-C4' energy: -139.396
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -170.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2004.130148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.130148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.130148 (E_RNA)
where:
Base-Base interactions energy: -1385.947
where: short stacking energy: -575.170
Base-Backbone interact. energy: 2.234
local terms energy: -620.416979
where:
bonds (distance) C4'-P energy: -114.418
bonds (distance) P-C4' energy: -111.745
flat angles C4'-P-C4' energy: -133.028
flat angles P-C4'-P energy: -85.121
tors. eta vs tors. theta energy: -176.105
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: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1910.555316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.555316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.555316 (E_RNA)
where:
Base-Base interactions energy: -1330.023
where: short stacking energy: -534.267
Base-Backbone interact. energy: -0.211
local terms energy: -580.321364
where:
bonds (distance) C4'-P energy: -113.856
bonds (distance) P-C4' energy: -110.794
flat angles C4'-P-C4' energy: -122.828
flat angles P-C4'-P energy: -78.657
tors. eta vs tors. theta energy: -154.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1754.451734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.451734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.451734 (E_RNA)
where:
Base-Base interactions energy: -1206.213
where: short stacking energy: -501.510
Base-Backbone interact. energy: -4.364
local terms energy: -543.874352
where:
bonds (distance) C4'-P energy: -100.354
bonds (distance) P-C4' energy: -114.112
flat angles C4'-P-C4' energy: -109.271
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -144.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1589.157656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.157656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.157656 (E_RNA)
where:
Base-Base interactions energy: -1080.630
where: short stacking energy: -461.162
Base-Backbone interact. energy: 0.237
local terms energy: -508.764252
where:
bonds (distance) C4'-P energy: -104.202
bonds (distance) P-C4' energy: -113.595
flat angles C4'-P-C4' energy: -107.725
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -115.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1577.761678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.761678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.761678 (E_RNA)
where:
Base-Base interactions energy: -1085.396
where: short stacking energy: -461.496
Base-Backbone interact. energy: -2.891
local terms energy: -489.474271
where:
bonds (distance) C4'-P energy: -90.870
bonds (distance) P-C4' energy: -97.889
flat angles C4'-P-C4' energy: -120.725
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -119.052
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: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1415.996243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.996243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.996243 (E_RNA)
where:
Base-Base interactions energy: -968.859
where: short stacking energy: -445.540
Base-Backbone interact. energy: -1.326
local terms energy: -445.811303
where:
bonds (distance) C4'-P energy: -73.967
bonds (distance) P-C4' energy: -101.259
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -68.616
tors. eta vs tors. theta energy: -107.022
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: 274
Temperature: 1.250000
Total energy: -1175.045329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.045329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.045329 (E_RNA)
where:
Base-Base interactions energy: -767.437
where: short stacking energy: -318.597
Base-Backbone interact. energy: 5.058
local terms energy: -412.665894
where:
bonds (distance) C4'-P energy: -94.838
bonds (distance) P-C4' energy: -92.096
flat angles C4'-P-C4' energy: -89.626
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -62.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -863.089043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.089043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.089043 (E_RNA)
where:
Base-Base interactions energy: -508.612
where: short stacking energy: -216.093
Base-Backbone interact. energy: 3.186
local terms energy: -357.663112
where:
bonds (distance) C4'-P energy: -98.885
bonds (distance) P-C4' energy: -103.417
flat angles C4'-P-C4' energy: -96.404
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -31.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -646.765408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.765408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.765408 (E_RNA)
where:
Base-Base interactions energy: -330.715
where: short stacking energy: -158.808
Base-Backbone interact. energy: 2.857
local terms energy: -318.907116
where:
bonds (distance) C4'-P energy: -111.886
bonds (distance) P-C4' energy: -95.067
flat angles C4'-P-C4' energy: -84.784
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: 11.888
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: 275
Temperature: 0.900000
Total energy: -2082.689831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.689831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.689831 (E_RNA)
where:
Base-Base interactions energy: -1457.783
where: short stacking energy: -579.646
Base-Backbone interact. energy: 1.833
local terms energy: -626.739218
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -121.174
flat angles C4'-P-C4' energy: -134.459
flat angles P-C4'-P energy: -82.965
tors. eta vs tors. theta energy: -167.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2021.080013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.080013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.080013 (E_RNA)
where:
Base-Base interactions energy: -1401.699
where: short stacking energy: -566.625
Base-Backbone interact. energy: -2.952
local terms energy: -616.428943
where:
bonds (distance) C4'-P energy: -110.174
bonds (distance) P-C4' energy: -108.947
flat angles C4'-P-C4' energy: -128.930
flat angles P-C4'-P energy: -92.579
tors. eta vs tors. theta energy: -175.799
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1910.812841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.812841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.812841 (E_RNA)
where:
Base-Base interactions energy: -1329.159
where: short stacking energy: -525.384
Base-Backbone interact. energy: -0.021
local terms energy: -581.633169
where:
bonds (distance) C4'-P energy: -110.163
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -129.043
flat angles P-C4'-P energy: -78.095
tors. eta vs tors. theta energy: -153.227
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: 275
Temperature: 1.050000
Total energy: -1739.928974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.928974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.928974 (E_RNA)
where:
Base-Base interactions energy: -1195.537
where: short stacking energy: -503.383
Base-Backbone interact. energy: -1.794
local terms energy: -542.598361
where:
bonds (distance) C4'-P energy: -90.471
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -127.944
flat angles P-C4'-P energy: -91.842
tors. eta vs tors. theta energy: -137.930
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: 275
Temperature: 1.100000
Total energy: -1570.956725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.956725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.956725 (E_RNA)
where:
Base-Base interactions energy: -1048.778
where: short stacking energy: -474.751
Base-Backbone interact. energy: 1.831
local terms energy: -524.009692
where:
bonds (distance) C4'-P energy: -102.045
bonds (distance) P-C4' energy: -115.595
flat angles C4'-P-C4' energy: -115.176
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -122.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1503.406686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.406686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.406686 (E_RNA)
where:
Base-Base interactions energy: -1040.244
where: short stacking energy: -428.652
Base-Backbone interact. energy: 1.130
local terms energy: -464.292961
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -110.322
flat angles C4'-P-C4' energy: -108.922
flat angles P-C4'-P energy: -43.508
tors. eta vs tors. theta energy: -108.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1435.616922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.616922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.616922 (E_RNA)
where:
Base-Base interactions energy: -933.725
where: short stacking energy: -414.087
Base-Backbone interact. energy: -1.630
local terms energy: -500.262457
where:
bonds (distance) C4'-P energy: -107.493
bonds (distance) P-C4' energy: -115.940
flat angles C4'-P-C4' energy: -103.451
flat angles P-C4'-P energy: -67.357
tors. eta vs tors. theta energy: -106.021
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: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1176.596944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.596944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.596944 (E_RNA)
where:
Base-Base interactions energy: -763.082
where: short stacking energy: -363.324
Base-Backbone interact. energy: 0.810
local terms energy: -414.325910
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -101.565
flat angles C4'-P-C4' energy: -97.006
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -69.213
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: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -916.844617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.844617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.844617 (E_RNA)
where:
Base-Base interactions energy: -538.975
where: short stacking energy: -235.414
Base-Backbone interact. energy: -2.560
local terms energy: -375.309386
where:
bonds (distance) C4'-P energy: -97.519
bonds (distance) P-C4' energy: -110.818
flat angles C4'-P-C4' energy: -78.196
flat angles P-C4'-P energy: -71.317
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -627.546011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.546011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.546011 (E_RNA)
where:
Base-Base interactions energy: -299.694
where: short stacking energy: -173.806
Base-Backbone interact. energy: 0.849
local terms energy: -328.701580
where:
bonds (distance) C4'-P energy: -96.643
bonds (distance) P-C4' energy: -97.980
flat angles C4'-P-C4' energy: -85.928
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2073.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.461917 (E_RNA)
where:
Base-Base interactions energy: -1464.373
where: short stacking energy: -578.928
Base-Backbone interact. energy: -3.379
local terms energy: -605.710380
where:
bonds (distance) C4'-P energy: -115.764
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -132.196
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -159.631
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: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1984.774246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.774246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.774246 (E_RNA)
where:
Base-Base interactions energy: -1388.857
where: short stacking energy: -571.166
Base-Backbone interact. energy: 0.048
local terms energy: -595.965819
where:
bonds (distance) C4'-P energy: -114.487
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -121.935
flat angles P-C4'-P energy: -88.329
tors. eta vs tors. theta energy: -158.389
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1934.780513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.780513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.780513 (E_RNA)
where:
Base-Base interactions energy: -1349.445
where: short stacking energy: -555.050
Base-Backbone interact. energy: -3.399
local terms energy: -581.936598
where:
bonds (distance) C4'-P energy: -100.189
bonds (distance) P-C4' energy: -113.856
flat angles C4'-P-C4' energy: -125.041
flat angles P-C4'-P energy: -82.631
tors. eta vs tors. theta energy: -160.219
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: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1721.886478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.886478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.886478 (E_RNA)
where:
Base-Base interactions energy: -1207.538
where: short stacking energy: -473.332
Base-Backbone interact. energy: -2.812
local terms energy: -511.536834
where:
bonds (distance) C4'-P energy: -89.548
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -87.135
tors. eta vs tors. theta energy: -127.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1594.344008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.344008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.344008 (E_RNA)
where:
Base-Base interactions energy: -1053.900
where: short stacking energy: -462.303
Base-Backbone interact. energy: 0.424
local terms energy: -540.867384
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -104.961
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -72.107
tors. eta vs tors. theta energy: -123.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1527.644717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.644717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.644717 (E_RNA)
where:
Base-Base interactions energy: -1044.097
where: short stacking energy: -417.838
Base-Backbone interact. energy: 0.105
local terms energy: -483.652556
where:
bonds (distance) C4'-P energy: -105.728
bonds (distance) P-C4' energy: -94.072
flat angles C4'-P-C4' energy: -117.720
flat angles P-C4'-P energy: -71.607
tors. eta vs tors. theta energy: -94.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1414.726714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.726714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.726714 (E_RNA)
where:
Base-Base interactions energy: -910.460
where: short stacking energy: -402.898
Base-Backbone interact. energy: -1.129
local terms energy: -503.138342
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -111.743
flat angles P-C4'-P energy: -68.197
tors. eta vs tors. theta energy: -104.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1166.202408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.202408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.202408 (E_RNA)
where:
Base-Base interactions energy: -737.329
where: short stacking energy: -316.460
Base-Backbone interact. energy: 0.642
local terms energy: -429.515561
where:
bonds (distance) C4'-P energy: -104.942
bonds (distance) P-C4' energy: -97.401
flat angles C4'-P-C4' energy: -103.304
flat angles P-C4'-P energy: -74.942
tors. eta vs tors. theta energy: -48.927
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: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -835.485854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.485854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.485854 (E_RNA)
where:
Base-Base interactions energy: -470.503
where: short stacking energy: -235.382
Base-Backbone interact. energy: 0.117
local terms energy: -365.099585
where:
bonds (distance) C4'-P energy: -83.905
bonds (distance) P-C4' energy: -97.904
flat angles C4'-P-C4' energy: -101.256
flat angles P-C4'-P energy: -55.175
tors. eta vs tors. theta energy: -26.860
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: 276
Temperature: 1.350000
Total energy: -633.643904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.643904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.643904 (E_RNA)
where:
Base-Base interactions energy: -293.844
where: short stacking energy: -198.125
Base-Backbone interact. energy: -0.864
local terms energy: -338.935727
where:
bonds (distance) C4'-P energy: -95.663
bonds (distance) P-C4' energy: -80.649
flat angles C4'-P-C4' energy: -111.277
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2094.894163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.894163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.894163 (E_RNA)
where:
Base-Base interactions energy: -1471.642
where: short stacking energy: -559.957
Base-Backbone interact. energy: -4.248
local terms energy: -619.003680
where:
bonds (distance) C4'-P energy: -112.031
bonds (distance) P-C4' energy: -106.291
flat angles C4'-P-C4' energy: -138.644
flat angles P-C4'-P energy: -99.672
tors. eta vs tors. theta energy: -162.367
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1962.080678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.080678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.080678 (E_RNA)
where:
Base-Base interactions energy: -1357.646
where: short stacking energy: -543.310
Base-Backbone interact. energy: -4.270
local terms energy: -600.164950
where:
bonds (distance) C4'-P energy: -120.039
bonds (distance) P-C4' energy: -111.833
flat angles C4'-P-C4' energy: -138.687
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -149.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1916.428896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.428896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.428896 (E_RNA)
where:
Base-Base interactions energy: -1334.924
where: short stacking energy: -547.424
Base-Backbone interact. energy: -4.603
local terms energy: -576.901937
where:
bonds (distance) C4'-P energy: -101.266
bonds (distance) P-C4' energy: -110.562
flat angles C4'-P-C4' energy: -124.064
flat angles P-C4'-P energy: -84.631
tors. eta vs tors. theta energy: -156.378
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1768.993359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.993359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.993359 (E_RNA)
where:
Base-Base interactions energy: -1196.544
where: short stacking energy: -507.381
Base-Backbone interact. energy: -1.051
local terms energy: -571.398710
where:
bonds (distance) C4'-P energy: -97.888
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -132.689
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -147.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1537.851834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.851834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.851834 (E_RNA)
where:
Base-Base interactions energy: -1043.766
where: short stacking energy: -445.669
Base-Backbone interact. energy: 6.776
local terms energy: -500.862151
where:
bonds (distance) C4'-P energy: -96.776
bonds (distance) P-C4' energy: -108.471
flat angles C4'-P-C4' energy: -109.554
flat angles P-C4'-P energy: -71.218
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: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1552.369352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.369352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.369352 (E_RNA)
where:
Base-Base interactions energy: -1069.556
where: short stacking energy: -453.710
Base-Backbone interact. energy: 1.693
local terms energy: -484.506186
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -110.314
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: -117.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1437.855127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.855127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.855127 (E_RNA)
where:
Base-Base interactions energy: -961.422
where: short stacking energy: -417.354
Base-Backbone interact. energy: -0.830
local terms energy: -475.603257
where:
bonds (distance) C4'-P energy: -100.631
bonds (distance) P-C4' energy: -99.487
flat angles C4'-P-C4' energy: -107.021
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -100.688
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: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1156.778927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.778927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.778927 (E_RNA)
where:
Base-Base interactions energy: -751.468
where: short stacking energy: -323.584
Base-Backbone interact. energy: -3.125
local terms energy: -402.186687
where:
bonds (distance) C4'-P energy: -76.247
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -96.306
flat angles P-C4'-P energy: -63.036
tors. eta vs tors. theta energy: -69.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -851.266118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.266118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.266118 (E_RNA)
where:
Base-Base interactions energy: -503.078
where: short stacking energy: -234.116
Base-Backbone interact. energy: -2.290
local terms energy: -345.897920
where:
bonds (distance) C4'-P energy: -91.711
bonds (distance) P-C4' energy: -99.328
flat angles C4'-P-C4' energy: -93.683
flat angles P-C4'-P energy: -52.545
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -605.173347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.173347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.173347 (E_RNA)
where:
Base-Base interactions energy: -255.347
where: short stacking energy: -150.500
Base-Backbone interact. energy: -2.530
local terms energy: -347.295945
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -100.635
flat angles C4'-P-C4' energy: -85.769
flat angles P-C4'-P energy: -73.578
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2081.217256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.217256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.217256 (E_RNA)
where:
Base-Base interactions energy: -1471.436
where: short stacking energy: -561.113
Base-Backbone interact. energy: -1.180
local terms energy: -608.601344
where:
bonds (distance) C4'-P energy: -122.338
bonds (distance) P-C4' energy: -105.467
flat angles C4'-P-C4' energy: -132.354
flat angles P-C4'-P energy: -85.232
tors. eta vs tors. theta energy: -163.210
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: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1965.469020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.469020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.469020 (E_RNA)
where:
Base-Base interactions energy: -1363.998
where: short stacking energy: -545.884
Base-Backbone interact. energy: -2.789
local terms energy: -598.682136
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -113.634
flat angles C4'-P-C4' energy: -125.991
flat angles P-C4'-P energy: -83.150
tors. eta vs tors. theta energy: -161.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1934.101059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.101059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.101059 (E_RNA)
where:
Base-Base interactions energy: -1357.265
where: short stacking energy: -543.075
Base-Backbone interact. energy: -7.517
local terms energy: -569.319173
where:
bonds (distance) C4'-P energy: -95.908
bonds (distance) P-C4' energy: -99.597
flat angles C4'-P-C4' energy: -118.314
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -162.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1731.281942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.281942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.281942 (E_RNA)
where:
Base-Base interactions energy: -1161.098
where: short stacking energy: -490.245
Base-Backbone interact. energy: -2.070
local terms energy: -568.113912
where:
bonds (distance) C4'-P energy: -112.511
bonds (distance) P-C4' energy: -102.424
flat angles C4'-P-C4' energy: -123.288
flat angles P-C4'-P energy: -95.693
tors. eta vs tors. theta energy: -134.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1632.370791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.370791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.370791 (E_RNA)
where:
Base-Base interactions energy: -1112.592
where: short stacking energy: -462.582
Base-Backbone interact. energy: 1.484
local terms energy: -521.262453
where:
bonds (distance) C4'-P energy: -77.047
bonds (distance) P-C4' energy: -109.109
flat angles C4'-P-C4' energy: -118.522
flat angles P-C4'-P energy: -87.883
tors. eta vs tors. theta energy: -128.702
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: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1485.718469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.718469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.718469 (E_RNA)
where:
Base-Base interactions energy: -1007.326
where: short stacking energy: -441.303
Base-Backbone interact. energy: 0.150
local terms energy: -478.542306
where:
bonds (distance) C4'-P energy: -86.653
bonds (distance) P-C4' energy: -95.418
flat angles C4'-P-C4' energy: -107.280
flat angles P-C4'-P energy: -74.399
tors. eta vs tors. theta energy: -114.793
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1425.872400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.872400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.872400 (E_RNA)
where:
Base-Base interactions energy: -956.504
where: short stacking energy: -400.765
Base-Backbone interact. energy: 1.961
local terms energy: -471.329755
where:
bonds (distance) C4'-P energy: -94.766
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -121.556
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -101.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1199.889235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.889235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.889235 (E_RNA)
where:
Base-Base interactions energy: -766.535
where: short stacking energy: -344.978
Base-Backbone interact. energy: 0.801
local terms energy: -434.155299
where:
bonds (distance) C4'-P energy: -84.565
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -102.513
flat angles P-C4'-P energy: -71.034
tors. eta vs tors. theta energy: -79.947
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: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -834.758937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.758937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.758937 (E_RNA)
where:
Base-Base interactions energy: -467.552
where: short stacking energy: -218.094
Base-Backbone interact. energy: 4.489
local terms energy: -371.695876
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -92.175
flat angles C4'-P-C4' energy: -89.856
flat angles P-C4'-P energy: -58.078
tors. eta vs tors. theta energy: -32.227
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -694.052535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.052535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.052535 (E_RNA)
where:
Base-Base interactions energy: -346.192
where: short stacking energy: -198.082
Base-Backbone interact. energy: 7.335
local terms energy: -355.195988
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -109.704
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2080.113919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.113919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.113919 (E_RNA)
where:
Base-Base interactions energy: -1463.617
where: short stacking energy: -564.511
Base-Backbone interact. energy: -1.860
local terms energy: -614.636553
where:
bonds (distance) C4'-P energy: -123.395
bonds (distance) P-C4' energy: -117.256
flat angles C4'-P-C4' energy: -127.877
flat angles P-C4'-P energy: -88.797
tors. eta vs tors. theta energy: -157.311
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: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1968.046979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.046979 (E_RNA)
where:
Base-Base interactions energy: -1381.155
where: short stacking energy: -539.534
Base-Backbone interact. energy: -0.358
local terms energy: -586.534856
where:
bonds (distance) C4'-P energy: -116.765
bonds (distance) P-C4' energy: -103.573
flat angles C4'-P-C4' energy: -128.576
flat angles P-C4'-P energy: -79.924
tors. eta vs tors. theta energy: -157.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1919.919709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.919709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.919709 (E_RNA)
where:
Base-Base interactions energy: -1336.624
where: short stacking energy: -535.340
Base-Backbone interact. energy: -3.133
local terms energy: -580.162809
where:
bonds (distance) C4'-P energy: -108.047
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -127.786
flat angles P-C4'-P energy: -95.807
tors. eta vs tors. theta energy: -151.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1737.698552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.698552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.698552 (E_RNA)
where:
Base-Base interactions energy: -1200.065
where: short stacking energy: -495.447
Base-Backbone interact. energy: -2.764
local terms energy: -534.869366
where:
bonds (distance) C4'-P energy: -109.326
bonds (distance) P-C4' energy: -106.223
flat angles C4'-P-C4' energy: -104.285
flat angles P-C4'-P energy: -89.242
tors. eta vs tors. theta energy: -125.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1625.404019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.404019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.404019 (E_RNA)
where:
Base-Base interactions energy: -1091.199
where: short stacking energy: -462.365
Base-Backbone interact. energy: -3.819
local terms energy: -530.385919
where:
bonds (distance) C4'-P energy: -105.162
bonds (distance) P-C4' energy: -94.158
flat angles C4'-P-C4' energy: -119.573
flat angles P-C4'-P energy: -91.307
tors. eta vs tors. theta energy: -120.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1468.214971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.214971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.214971 (E_RNA)
where:
Base-Base interactions energy: -964.756
where: short stacking energy: -425.913
Base-Backbone interact. energy: -0.619
local terms energy: -502.840261
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -110.128
flat angles C4'-P-C4' energy: -108.282
flat angles P-C4'-P energy: -68.094
tors. eta vs tors. theta energy: -110.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1468.168479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.168479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.168479 (E_RNA)
where:
Base-Base interactions energy: -986.023
where: short stacking energy: -422.886
Base-Backbone interact. energy: -1.469
local terms energy: -480.677057
where:
bonds (distance) C4'-P energy: -100.376
bonds (distance) P-C4' energy: -99.300
flat angles C4'-P-C4' energy: -103.449
flat angles P-C4'-P energy: -67.558
tors. eta vs tors. theta energy: -109.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1203.503925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.503925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.503925 (E_RNA)
where:
Base-Base interactions energy: -763.863
where: short stacking energy: -329.230
Base-Backbone interact. energy: -1.330
local terms energy: -438.311123
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -99.610
flat angles C4'-P-C4' energy: -107.621
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: -80.342
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: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -827.042243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.042243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.042243 (E_RNA)
where:
Base-Base interactions energy: -465.343
where: short stacking energy: -239.888
Base-Backbone interact. energy: -2.595
local terms energy: -359.103832
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -114.605
flat angles C4'-P-C4' energy: -69.272
flat angles P-C4'-P energy: -52.424
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -595.581561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.581561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.581561 (E_RNA)
where:
Base-Base interactions energy: -282.847
where: short stacking energy: -176.524
Base-Backbone interact. energy: -2.288
local terms energy: -310.446514
where:
bonds (distance) C4'-P energy: -83.942
bonds (distance) P-C4' energy: -91.980
flat angles C4'-P-C4' energy: -100.885
flat angles P-C4'-P energy: -36.818
tors. eta vs tors. theta energy: 3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2082.697765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.697765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.697765 (E_RNA)
where:
Base-Base interactions energy: -1477.308
where: short stacking energy: -583.483
Base-Backbone interact. energy: -4.199
local terms energy: -601.189880
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -125.191
flat angles P-C4'-P energy: -97.317
tors. eta vs tors. theta energy: -161.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1950.607227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.607227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.607227 (E_RNA)
where:
Base-Base interactions energy: -1337.799
where: short stacking energy: -550.091
Base-Backbone interact. energy: -3.355
local terms energy: -609.454050
where:
bonds (distance) C4'-P energy: -113.325
bonds (distance) P-C4' energy: -122.686
flat angles C4'-P-C4' energy: -132.596
flat angles P-C4'-P energy: -79.769
tors. eta vs tors. theta energy: -161.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1919.105814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.105814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.105814 (E_RNA)
where:
Base-Base interactions energy: -1376.711
where: short stacking energy: -532.581
Base-Backbone interact. energy: -3.016
local terms energy: -539.379072
where:
bonds (distance) C4'-P energy: -100.052
bonds (distance) P-C4' energy: -99.794
flat angles C4'-P-C4' energy: -127.113
flat angles P-C4'-P energy: -66.923
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: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1722.693125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.693125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.693125 (E_RNA)
where:
Base-Base interactions energy: -1169.239
where: short stacking energy: -483.192
Base-Backbone interact. energy: 1.613
local terms energy: -555.066748
where:
bonds (distance) C4'-P energy: -101.821
bonds (distance) P-C4' energy: -108.855
flat angles C4'-P-C4' energy: -113.597
flat angles P-C4'-P energy: -92.699
tors. eta vs tors. theta energy: -138.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1630.692108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.692108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.692108 (E_RNA)
where:
Base-Base interactions energy: -1106.950
where: short stacking energy: -472.355
Base-Backbone interact. energy: -0.139
local terms energy: -523.603620
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -104.535
flat angles C4'-P-C4' energy: -130.619
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -126.202
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: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1447.044667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.044667 (E_RNA)
where:
Base-Base interactions energy: -966.154
where: short stacking energy: -419.005
Base-Backbone interact. energy: 1.278
local terms energy: -482.169149
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -106.353
flat angles C4'-P-C4' energy: -92.907
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -111.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1414.977521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.977521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.977521 (E_RNA)
where:
Base-Base interactions energy: -924.150
where: short stacking energy: -423.159
Base-Backbone interact. energy: 10.269
local terms energy: -501.096793
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -122.011
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: -110.664
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: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1216.129686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.129686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.129686 (E_RNA)
where:
Base-Base interactions energy: -796.113
where: short stacking energy: -348.786
Base-Backbone interact. energy: -0.044
local terms energy: -419.972401
where:
bonds (distance) C4'-P energy: -90.507
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -93.068
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -80.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -834.254961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.254961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.254961 (E_RNA)
where:
Base-Base interactions energy: -485.733
where: short stacking energy: -227.869
Base-Backbone interact. energy: -1.012
local terms energy: -347.510169
where:
bonds (distance) C4'-P energy: -110.690
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -79.038
flat angles P-C4'-P energy: -47.989
tors. eta vs tors. theta energy: -20.359
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: 280
Temperature: 1.350000
Total energy: -570.310918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.310918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.310918 (E_RNA)
where:
Base-Base interactions energy: -247.811
where: short stacking energy: -144.010
Base-Backbone interact. energy: -0.742
local terms energy: -321.757901
where:
bonds (distance) C4'-P energy: -96.889
bonds (distance) P-C4' energy: -106.493
flat angles C4'-P-C4' energy: -79.776
flat angles P-C4'-P energy: -59.938
tors. eta vs tors. theta energy: 21.338
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: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2049.058798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.058798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.058798 (E_RNA)
where:
Base-Base interactions energy: -1443.895
where: short stacking energy: -569.617
Base-Backbone interact. energy: -1.273
local terms energy: -603.890757
where:
bonds (distance) C4'-P energy: -124.508
bonds (distance) P-C4' energy: -117.248
flat angles C4'-P-C4' energy: -133.167
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -153.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1992.890036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.890036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.890036 (E_RNA)
where:
Base-Base interactions energy: -1391.383
where: short stacking energy: -583.966
Base-Backbone interact. energy: -3.874
local terms energy: -597.632635
where:
bonds (distance) C4'-P energy: -118.512
bonds (distance) P-C4' energy: -109.514
flat angles C4'-P-C4' energy: -132.789
flat angles P-C4'-P energy: -76.940
tors. eta vs tors. theta energy: -159.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1952.393669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.393669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.393669 (E_RNA)
where:
Base-Base interactions energy: -1380.152
where: short stacking energy: -566.381
Base-Backbone interact. energy: -2.666
local terms energy: -569.576103
where:
bonds (distance) C4'-P energy: -99.920
bonds (distance) P-C4' energy: -112.459
flat angles C4'-P-C4' energy: -118.491
flat angles P-C4'-P energy: -78.014
tors. eta vs tors. theta energy: -160.693
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: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1768.893275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.893275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.893275 (E_RNA)
where:
Base-Base interactions energy: -1225.009
where: short stacking energy: -523.215
Base-Backbone interact. energy: -2.116
local terms energy: -541.768090
where:
bonds (distance) C4'-P energy: -97.873
bonds (distance) P-C4' energy: -102.444
flat angles C4'-P-C4' energy: -111.738
flat angles P-C4'-P energy: -93.458
tors. eta vs tors. theta energy: -136.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1621.246915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.246915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.246915 (E_RNA)
where:
Base-Base interactions energy: -1114.277
where: short stacking energy: -472.532
Base-Backbone interact. energy: 1.205
local terms energy: -508.175469
where:
bonds (distance) C4'-P energy: -93.845
bonds (distance) P-C4' energy: -104.106
flat angles C4'-P-C4' energy: -116.780
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -120.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1402.513722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.513722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.513722 (E_RNA)
where:
Base-Base interactions energy: -950.643
where: short stacking energy: -425.225
Base-Backbone interact. energy: -1.584
local terms energy: -450.286443
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -105.664
flat angles C4'-P-C4' energy: -105.515
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -100.480
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: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1435.365263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.365263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.365263 (E_RNA)
where:
Base-Base interactions energy: -946.619
where: short stacking energy: -404.982
Base-Backbone interact. energy: -0.927
local terms energy: -487.819729
where:
bonds (distance) C4'-P energy: -105.764
bonds (distance) P-C4' energy: -99.817
flat angles C4'-P-C4' energy: -108.220
flat angles P-C4'-P energy: -73.083
tors. eta vs tors. theta energy: -100.935
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: 281
Temperature: 1.250000
Total energy: -1266.366632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.366632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.366632 (E_RNA)
where:
Base-Base interactions energy: -814.545
where: short stacking energy: -344.941
Base-Backbone interact. energy: -1.596
local terms energy: -450.226386
where:
bonds (distance) C4'-P energy: -91.100
bonds (distance) P-C4' energy: -99.339
flat angles C4'-P-C4' energy: -103.796
flat angles P-C4'-P energy: -72.488
tors. eta vs tors. theta energy: -83.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -817.767214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.767214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.767214 (E_RNA)
where:
Base-Base interactions energy: -459.698
where: short stacking energy: -233.133
Base-Backbone interact. energy: 2.393
local terms energy: -360.462421
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -115.454
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -12.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -538.320254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.320254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.320254 (E_RNA)
where:
Base-Base interactions energy: -274.967
where: short stacking energy: -162.135
Base-Backbone interact. energy: 4.603
local terms energy: -267.956056
where:
bonds (distance) C4'-P energy: -85.265
bonds (distance) P-C4' energy: -101.462
flat angles C4'-P-C4' energy: -66.324
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: 19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2070.360087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.360087 (E_RNA)
where:
Base-Base interactions energy: -1460.055
where: short stacking energy: -587.588
Base-Backbone interact. energy: -1.336
local terms energy: -608.968662
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -119.409
flat angles C4'-P-C4' energy: -141.488
flat angles P-C4'-P energy: -86.829
tors. eta vs tors. theta energy: -166.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1997.962660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.962660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.962660 (E_RNA)
where:
Base-Base interactions energy: -1399.905
where: short stacking energy: -608.651
Base-Backbone interact. energy: -1.710
local terms energy: -596.347701
where:
bonds (distance) C4'-P energy: -101.169
bonds (distance) P-C4' energy: -115.127
flat angles C4'-P-C4' energy: -128.081
flat angles P-C4'-P energy: -86.684
tors. eta vs tors. theta energy: -165.287
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: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1898.509401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.509401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.509401 (E_RNA)
where:
Base-Base interactions energy: -1308.594
where: short stacking energy: -534.362
Base-Backbone interact. energy: -2.176
local terms energy: -587.739707
where:
bonds (distance) C4'-P energy: -111.480
bonds (distance) P-C4' energy: -117.147
flat angles C4'-P-C4' energy: -132.880
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -156.747
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: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1791.721765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.721765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.721765 (E_RNA)
where:
Base-Base interactions energy: -1231.117
where: short stacking energy: -492.155
Base-Backbone interact. energy: -3.833
local terms energy: -556.772088
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -109.356
flat angles C4'-P-C4' energy: -129.374
flat angles P-C4'-P energy: -82.160
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: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1638.037510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.037510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.037510 (E_RNA)
where:
Base-Base interactions energy: -1108.476
where: short stacking energy: -462.202
Base-Backbone interact. energy: 2.886
local terms energy: -532.448156
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -108.164
flat angles C4'-P-C4' energy: -126.078
flat angles P-C4'-P energy: -68.415
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1485.629905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.629905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.629905 (E_RNA)
where:
Base-Base interactions energy: -958.209
where: short stacking energy: -426.211
Base-Backbone interact. energy: -3.002
local terms energy: -524.418825
where:
bonds (distance) C4'-P energy: -111.230
bonds (distance) P-C4' energy: -93.521
flat angles C4'-P-C4' energy: -114.328
flat angles P-C4'-P energy: -82.984
tors. eta vs tors. theta energy: -122.356
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: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1437.304583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.304583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.304583 (E_RNA)
where:
Base-Base interactions energy: -957.319
where: short stacking energy: -434.816
Base-Backbone interact. energy: -3.482
local terms energy: -476.503533
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -91.489
flat angles C4'-P-C4' energy: -108.498
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -118.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1214.063410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.063410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.063410 (E_RNA)
where:
Base-Base interactions energy: -791.763
where: short stacking energy: -329.377
Base-Backbone interact. energy: -0.591
local terms energy: -421.709513
where:
bonds (distance) C4'-P energy: -82.279
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -95.796
flat angles P-C4'-P energy: -69.876
tors. eta vs tors. theta energy: -66.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -831.399995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.399995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.399995 (E_RNA)
where:
Base-Base interactions energy: -491.580
where: short stacking energy: -232.710
Base-Backbone interact. energy: -2.897
local terms energy: -336.922557
where:
bonds (distance) C4'-P energy: -88.950
bonds (distance) P-C4' energy: -104.092
flat angles C4'-P-C4' energy: -85.820
flat angles P-C4'-P energy: -30.179
tors. eta vs tors. theta energy: -27.882
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: 282
Temperature: 1.350000
Total energy: -523.227495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.227495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.227495 (E_RNA)
where:
Base-Base interactions energy: -231.394
where: short stacking energy: -135.275
Base-Backbone interact. energy: 3.371
local terms energy: -295.204201
where:
bonds (distance) C4'-P energy: -91.659
bonds (distance) P-C4' energy: -94.032
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: 15.351
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: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2086.873537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.873537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.873537 (E_RNA)
where:
Base-Base interactions energy: -1465.091
where: short stacking energy: -606.113
Base-Backbone interact. energy: -0.285
local terms energy: -621.497453
where:
bonds (distance) C4'-P energy: -112.380
bonds (distance) P-C4' energy: -117.519
flat angles C4'-P-C4' energy: -138.831
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -171.799
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: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1982.820041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.820041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.820041 (E_RNA)
where:
Base-Base interactions energy: -1345.153
where: short stacking energy: -566.601
Base-Backbone interact. energy: -1.656
local terms energy: -636.011595
where:
bonds (distance) C4'-P energy: -113.636
bonds (distance) P-C4' energy: -129.452
flat angles C4'-P-C4' energy: -137.144
flat angles P-C4'-P energy: -93.257
tors. eta vs tors. theta energy: -162.523
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: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1917.405830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.405830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.405830 (E_RNA)
where:
Base-Base interactions energy: -1328.877
where: short stacking energy: -524.546
Base-Backbone interact. energy: 5.621
local terms energy: -594.150592
where:
bonds (distance) C4'-P energy: -106.900
bonds (distance) P-C4' energy: -117.001
flat angles C4'-P-C4' energy: -124.047
flat angles P-C4'-P energy: -87.640
tors. eta vs tors. theta energy: -158.562
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: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1833.298224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.298224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.298224 (E_RNA)
where:
Base-Base interactions energy: -1267.130
where: short stacking energy: -527.837
Base-Backbone interact. energy: 4.766
local terms energy: -570.933882
where:
bonds (distance) C4'-P energy: -100.335
bonds (distance) P-C4' energy: -104.447
flat angles C4'-P-C4' energy: -126.121
flat angles P-C4'-P energy: -92.588
tors. eta vs tors. theta energy: -147.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1639.982972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.982972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.982972 (E_RNA)
where:
Base-Base interactions energy: -1113.649
where: short stacking energy: -476.162
Base-Backbone interact. energy: -3.137
local terms energy: -523.197288
where:
bonds (distance) C4'-P energy: -92.788
bonds (distance) P-C4' energy: -112.042
flat angles C4'-P-C4' energy: -112.220
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -128.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1526.803879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.803879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.803879 (E_RNA)
where:
Base-Base interactions energy: -1046.747
where: short stacking energy: -462.595
Base-Backbone interact. energy: 3.657
local terms energy: -483.713633
where:
bonds (distance) C4'-P energy: -92.212
bonds (distance) P-C4' energy: -96.531
flat angles C4'-P-C4' energy: -105.101
flat angles P-C4'-P energy: -73.655
tors. eta vs tors. theta energy: -116.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1362.133902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.133902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.133902 (E_RNA)
where:
Base-Base interactions energy: -894.774
where: short stacking energy: -419.001
Base-Backbone interact. energy: 6.090
local terms energy: -473.449278
where:
bonds (distance) C4'-P energy: -98.108
bonds (distance) P-C4' energy: -95.644
flat angles C4'-P-C4' energy: -123.704
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -93.993
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1245.212869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.212869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.212869 (E_RNA)
where:
Base-Base interactions energy: -799.157
where: short stacking energy: -352.888
Base-Backbone interact. energy: -0.580
local terms energy: -445.475837
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -102.086
flat angles C4'-P-C4' energy: -103.362
flat angles P-C4'-P energy: -60.010
tors. eta vs tors. theta energy: -87.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -830.350144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.350144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.350144 (E_RNA)
where:
Base-Base interactions energy: -479.480
where: short stacking energy: -224.096
Base-Backbone interact. energy: 0.592
local terms energy: -351.462560
where:
bonds (distance) C4'-P energy: -96.981
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -83.457
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -574.537706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.537706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.537706 (E_RNA)
where:
Base-Base interactions energy: -278.257
where: short stacking energy: -162.023
Base-Backbone interact. energy: -3.010
local terms energy: -293.271220
where:
bonds (distance) C4'-P energy: -82.234
bonds (distance) P-C4' energy: -88.184
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2063.099517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.099517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.099517 (E_RNA)
where:
Base-Base interactions energy: -1457.992
where: short stacking energy: -569.621
Base-Backbone interact. energy: -0.586
local terms energy: -604.521547
where:
bonds (distance) C4'-P energy: -110.093
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -134.748
flat angles P-C4'-P energy: -83.434
tors. eta vs tors. theta energy: -164.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1990.449647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.449647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.449647 (E_RNA)
where:
Base-Base interactions energy: -1373.125
where: short stacking energy: -572.093
Base-Backbone interact. energy: -2.726
local terms energy: -614.599069
where:
bonds (distance) C4'-P energy: -116.266
bonds (distance) P-C4' energy: -117.885
flat angles C4'-P-C4' energy: -130.943
flat angles P-C4'-P energy: -89.562
tors. eta vs tors. theta energy: -159.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1969.354457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.354457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.354457 (E_RNA)
where:
Base-Base interactions energy: -1350.728
where: short stacking energy: -559.420
Base-Backbone interact. energy: -1.614
local terms energy: -617.012403
where:
bonds (distance) C4'-P energy: -114.058
bonds (distance) P-C4' energy: -109.676
flat angles C4'-P-C4' energy: -129.164
flat angles P-C4'-P energy: -86.181
tors. eta vs tors. theta energy: -177.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1841.089240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.089240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.089240 (E_RNA)
where:
Base-Base interactions energy: -1270.205
where: short stacking energy: -559.747
Base-Backbone interact. energy: -1.337
local terms energy: -569.547049
where:
bonds (distance) C4'-P energy: -93.811
bonds (distance) P-C4' energy: -124.530
flat angles C4'-P-C4' energy: -112.428
flat angles P-C4'-P energy: -80.467
tors. eta vs tors. theta energy: -158.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1646.369323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.369323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.369323 (E_RNA)
where:
Base-Base interactions energy: -1115.387
where: short stacking energy: -488.378
Base-Backbone interact. energy: 2.101
local terms energy: -533.083774
where:
bonds (distance) C4'-P energy: -109.810
bonds (distance) P-C4' energy: -96.804
flat angles C4'-P-C4' energy: -109.372
flat angles P-C4'-P energy: -82.109
tors. eta vs tors. theta energy: -134.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1533.844037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.844037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.844037 (E_RNA)
where:
Base-Base interactions energy: -1021.643
where: short stacking energy: -429.478
Base-Backbone interact. energy: -0.870
local terms energy: -511.331133
where:
bonds (distance) C4'-P energy: -90.887
bonds (distance) P-C4' energy: -110.697
flat angles C4'-P-C4' energy: -118.014
flat angles P-C4'-P energy: -74.077
tors. eta vs tors. theta energy: -117.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1380.182140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.182140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.182140 (E_RNA)
where:
Base-Base interactions energy: -906.029
where: short stacking energy: -389.978
Base-Backbone interact. energy: 1.399
local terms energy: -475.552081
where:
bonds (distance) C4'-P energy: -93.590
bonds (distance) P-C4' energy: -111.885
flat angles C4'-P-C4' energy: -107.702
flat angles P-C4'-P energy: -71.717
tors. eta vs tors. theta energy: -90.658
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: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1245.032980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.032980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.032980 (E_RNA)
where:
Base-Base interactions energy: -768.642
where: short stacking energy: -339.082
Base-Backbone interact. energy: -3.326
local terms energy: -473.065257
where:
bonds (distance) C4'-P energy: -104.887
bonds (distance) P-C4' energy: -103.027
flat angles C4'-P-C4' energy: -100.046
flat angles P-C4'-P energy: -81.975
tors. eta vs tors. theta energy: -83.130
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: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -849.727875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.727875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.727875 (E_RNA)
where:
Base-Base interactions energy: -494.829
where: short stacking energy: -258.684
Base-Backbone interact. energy: 4.027
local terms energy: -358.925567
where:
bonds (distance) C4'-P energy: -90.232
bonds (distance) P-C4' energy: -93.609
flat angles C4'-P-C4' energy: -92.776
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -29.569
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: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -579.733271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.733271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.733271 (E_RNA)
where:
Base-Base interactions energy: -260.178
where: short stacking energy: -158.239
Base-Backbone interact. energy: 1.058
local terms energy: -320.613563
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -104.893
flat angles C4'-P-C4' energy: -96.559
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: 12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2048.747388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.747388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.747388 (E_RNA)
where:
Base-Base interactions energy: -1438.466
where: short stacking energy: -572.683
Base-Backbone interact. energy: -4.146
local terms energy: -606.135692
where:
bonds (distance) C4'-P energy: -117.228
bonds (distance) P-C4' energy: -115.195
flat angles C4'-P-C4' energy: -125.557
flat angles P-C4'-P energy: -84.539
tors. eta vs tors. theta energy: -163.617
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: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1991.910480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.910480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.910480 (E_RNA)
where:
Base-Base interactions energy: -1406.776
where: short stacking energy: -575.175
Base-Backbone interact. energy: -2.601
local terms energy: -582.533660
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -91.424
flat angles C4'-P-C4' energy: -139.896
flat angles P-C4'-P energy: -83.528
tors. eta vs tors. theta energy: -159.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1924.115057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.115057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.115057 (E_RNA)
where:
Base-Base interactions energy: -1326.124
where: short stacking energy: -534.209
Base-Backbone interact. energy: -0.211
local terms energy: -597.779371
where:
bonds (distance) C4'-P energy: -114.257
bonds (distance) P-C4' energy: -120.343
flat angles C4'-P-C4' energy: -126.164
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -155.939
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: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1818.144904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.144904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.144904 (E_RNA)
where:
Base-Base interactions energy: -1268.050
where: short stacking energy: -517.852
Base-Backbone interact. energy: -3.639
local terms energy: -546.455935
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -103.732
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -78.390
tors. eta vs tors. theta energy: -130.885
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: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1631.989950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.989950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.989950 (E_RNA)
where:
Base-Base interactions energy: -1124.389
where: short stacking energy: -476.888
Base-Backbone interact. energy: -2.620
local terms energy: -504.980351
where:
bonds (distance) C4'-P energy: -90.246
bonds (distance) P-C4' energy: -111.422
flat angles C4'-P-C4' energy: -110.424
flat angles P-C4'-P energy: -81.159
tors. eta vs tors. theta energy: -111.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1479.659884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.659884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.659884 (E_RNA)
where:
Base-Base interactions energy: -999.351
where: short stacking energy: -434.783
Base-Backbone interact. energy: -2.236
local terms energy: -478.072607
where:
bonds (distance) C4'-P energy: -99.514
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -110.695
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -103.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1392.462668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.462668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.462668 (E_RNA)
where:
Base-Base interactions energy: -925.743
where: short stacking energy: -397.097
Base-Backbone interact. energy: -0.206
local terms energy: -466.513443
where:
bonds (distance) C4'-P energy: -86.819
bonds (distance) P-C4' energy: -106.403
flat angles C4'-P-C4' energy: -107.572
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -98.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1264.446279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.446279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.446279 (E_RNA)
where:
Base-Base interactions energy: -818.580
where: short stacking energy: -371.644
Base-Backbone interact. energy: -1.403
local terms energy: -444.463520
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -92.462
flat angles C4'-P-C4' energy: -111.914
flat angles P-C4'-P energy: -73.328
tors. eta vs tors. theta energy: -97.222
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: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -858.364403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.364403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.364403 (E_RNA)
where:
Base-Base interactions energy: -508.204
where: short stacking energy: -246.329
Base-Backbone interact. energy: -0.034
local terms energy: -350.127006
where:
bonds (distance) C4'-P energy: -88.196
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -95.128
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -568.074643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.074643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.074643 (E_RNA)
where:
Base-Base interactions energy: -266.957
where: short stacking energy: -172.641
Base-Backbone interact. energy: -2.817
local terms energy: -298.300631
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -103.375
flat angles C4'-P-C4' energy: -71.394
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: 3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2055.026056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.026056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.026056 (E_RNA)
where:
Base-Base interactions energy: -1456.224
where: short stacking energy: -581.674
Base-Backbone interact. energy: -0.317
local terms energy: -598.485059
where:
bonds (distance) C4'-P energy: -122.858
bonds (distance) P-C4' energy: -107.344
flat angles C4'-P-C4' energy: -117.739
flat angles P-C4'-P energy: -83.499
tors. eta vs tors. theta energy: -167.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2019.546650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.546650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.546650 (E_RNA)
where:
Base-Base interactions energy: -1401.447
where: short stacking energy: -559.464
Base-Backbone interact. energy: 0.436
local terms energy: -618.535969
where:
bonds (distance) C4'-P energy: -110.350
bonds (distance) P-C4' energy: -128.985
flat angles C4'-P-C4' energy: -121.355
flat angles P-C4'-P energy: -91.170
tors. eta vs tors. theta energy: -166.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1910.619347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.619347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.619347 (E_RNA)
where:
Base-Base interactions energy: -1342.220
where: short stacking energy: -542.818
Base-Backbone interact. energy: -2.659
local terms energy: -565.740205
where:
bonds (distance) C4'-P energy: -95.254
bonds (distance) P-C4' energy: -113.184
flat angles C4'-P-C4' energy: -122.838
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -152.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1801.041588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.041588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.041588 (E_RNA)
where:
Base-Base interactions energy: -1249.545
where: short stacking energy: -504.631
Base-Backbone interact. energy: -4.301
local terms energy: -547.196078
where:
bonds (distance) C4'-P energy: -111.950
bonds (distance) P-C4' energy: -103.468
flat angles C4'-P-C4' energy: -124.005
flat angles P-C4'-P energy: -73.504
tors. eta vs tors. theta energy: -134.269
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1592.660959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.660959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.660959 (E_RNA)
where:
Base-Base interactions energy: -1072.866
where: short stacking energy: -465.151
Base-Backbone interact. energy: -2.305
local terms energy: -517.489747
where:
bonds (distance) C4'-P energy: -98.783
bonds (distance) P-C4' energy: -105.102
flat angles C4'-P-C4' energy: -119.358
flat angles P-C4'-P energy: -86.695
tors. eta vs tors. theta energy: -107.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1508.551306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.551306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.551306 (E_RNA)
where:
Base-Base interactions energy: -987.496
where: short stacking energy: -469.826
Base-Backbone interact. energy: -0.134
local terms energy: -520.920845
where:
bonds (distance) C4'-P energy: -87.174
bonds (distance) P-C4' energy: -109.907
flat angles C4'-P-C4' energy: -116.785
flat angles P-C4'-P energy: -79.881
tors. eta vs tors. theta energy: -127.174
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: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1412.797214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.797214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.797214 (E_RNA)
where:
Base-Base interactions energy: -958.485
where: short stacking energy: -424.851
Base-Backbone interact. energy: 4.212
local terms energy: -458.524183
where:
bonds (distance) C4'-P energy: -92.043
bonds (distance) P-C4' energy: -107.735
flat angles C4'-P-C4' energy: -99.764
flat angles P-C4'-P energy: -63.403
tors. eta vs tors. theta energy: -95.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1270.092946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.092946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.092946 (E_RNA)
where:
Base-Base interactions energy: -838.572
where: short stacking energy: -344.830
Base-Backbone interact. energy: -3.035
local terms energy: -428.485219
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -91.587
flat angles C4'-P-C4' energy: -105.127
flat angles P-C4'-P energy: -56.112
tors. eta vs tors. theta energy: -83.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -870.416887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.416887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.416887 (E_RNA)
where:
Base-Base interactions energy: -500.471
where: short stacking energy: -226.406
Base-Backbone interact. energy: 5.994
local terms energy: -375.939135
where:
bonds (distance) C4'-P energy: -105.278
bonds (distance) P-C4' energy: -106.023
flat angles C4'-P-C4' energy: -84.980
flat angles P-C4'-P energy: -64.227
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -598.140341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.140341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.140341 (E_RNA)
where:
Base-Base interactions energy: -272.637
where: short stacking energy: -185.976
Base-Backbone interact. energy: 6.806
local terms energy: -332.309636
where:
bonds (distance) C4'-P energy: -98.543
bonds (distance) P-C4' energy: -113.569
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -52.837
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2095.454955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.454955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.454955 (E_RNA)
where:
Base-Base interactions energy: -1469.215
where: short stacking energy: -595.863
Base-Backbone interact. energy: -4.140
local terms energy: -622.099953
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -132.995
flat angles C4'-P-C4' energy: -134.242
flat angles P-C4'-P energy: -92.733
tors. eta vs tors. theta energy: -163.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1996.688729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.688729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.688729 (E_RNA)
where:
Base-Base interactions energy: -1404.068
where: short stacking energy: -584.008
Base-Backbone interact. energy: -0.139
local terms energy: -592.481612
where:
bonds (distance) C4'-P energy: -109.887
bonds (distance) P-C4' energy: -112.763
flat angles C4'-P-C4' energy: -119.453
flat angles P-C4'-P energy: -88.758
tors. eta vs tors. theta energy: -161.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1928.894939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.894939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.894939 (E_RNA)
where:
Base-Base interactions energy: -1356.998
where: short stacking energy: -535.429
Base-Backbone interact. energy: -0.641
local terms energy: -571.256205
where:
bonds (distance) C4'-P energy: -110.127
bonds (distance) P-C4' energy: -106.444
flat angles C4'-P-C4' energy: -121.498
flat angles P-C4'-P energy: -82.517
tors. eta vs tors. theta energy: -150.670
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: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1764.853999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.853999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.853999 (E_RNA)
where:
Base-Base interactions energy: -1205.474
where: short stacking energy: -477.235
Base-Backbone interact. energy: -4.920
local terms energy: -554.460198
where:
bonds (distance) C4'-P energy: -110.329
bonds (distance) P-C4' energy: -109.291
flat angles C4'-P-C4' energy: -120.022
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -134.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1589.465526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.465526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.465526 (E_RNA)
where:
Base-Base interactions energy: -1065.772
where: short stacking energy: -437.474
Base-Backbone interact. energy: -1.403
local terms energy: -522.290165
where:
bonds (distance) C4'-P energy: -103.700
bonds (distance) P-C4' energy: -109.990
flat angles C4'-P-C4' energy: -113.025
flat angles P-C4'-P energy: -74.414
tors. eta vs tors. theta energy: -121.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1502.244164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.244164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.244164 (E_RNA)
where:
Base-Base interactions energy: -1009.866
where: short stacking energy: -442.434
Base-Backbone interact. energy: -1.326
local terms energy: -491.051929
where:
bonds (distance) C4'-P energy: -109.377
bonds (distance) P-C4' energy: -90.304
flat angles C4'-P-C4' energy: -105.910
flat angles P-C4'-P energy: -69.259
tors. eta vs tors. theta energy: -116.202
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: 287
Temperature: 1.200000
Total energy: -1377.608176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.608176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.608176 (E_RNA)
where:
Base-Base interactions energy: -919.779
where: short stacking energy: -377.965
Base-Backbone interact. energy: -0.591
local terms energy: -457.237442
where:
bonds (distance) C4'-P energy: -99.601
bonds (distance) P-C4' energy: -86.816
flat angles C4'-P-C4' energy: -109.585
flat angles P-C4'-P energy: -71.028
tors. eta vs tors. theta energy: -90.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1241.583937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.583937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.583937 (E_RNA)
where:
Base-Base interactions energy: -810.962
where: short stacking energy: -369.190
Base-Backbone interact. energy: 0.942
local terms energy: -431.563234
where:
bonds (distance) C4'-P energy: -84.423
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -95.631
flat angles P-C4'-P energy: -56.351
tors. eta vs tors. theta energy: -88.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -850.569839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.569839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.569839 (E_RNA)
where:
Base-Base interactions energy: -499.079
where: short stacking energy: -248.759
Base-Backbone interact. energy: 1.621
local terms energy: -353.112259
where:
bonds (distance) C4'-P energy: -71.965
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -82.263
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -26.859
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: 287
Temperature: 1.350000
Total energy: -573.417040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.417040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.417040 (E_RNA)
where:
Base-Base interactions energy: -247.745
where: short stacking energy: -154.808
Base-Backbone interact. energy: -0.912
local terms energy: -324.760093
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -78.405
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: 14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2072.571920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.571920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.571920 (E_RNA)
where:
Base-Base interactions energy: -1465.651
where: short stacking energy: -570.503
Base-Backbone interact. energy: -7.323
local terms energy: -599.597439
where:
bonds (distance) C4'-P energy: -100.633
bonds (distance) P-C4' energy: -114.683
flat angles C4'-P-C4' energy: -139.549
flat angles P-C4'-P energy: -87.553
tors. eta vs tors. theta energy: -157.180
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: 288
Temperature: 0.950000
Total energy: -2004.120463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.120463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.120463 (E_RNA)
where:
Base-Base interactions energy: -1401.815
where: short stacking energy: -589.052
Base-Backbone interact. energy: -1.400
local terms energy: -600.905594
where:
bonds (distance) C4'-P energy: -116.361
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -123.105
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -166.394
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: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1877.532152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.532152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.532152 (E_RNA)
where:
Base-Base interactions energy: -1306.939
where: short stacking energy: -535.870
Base-Backbone interact. energy: 0.290
local terms energy: -570.883181
where:
bonds (distance) C4'-P energy: -100.386
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -92.587
tors. eta vs tors. theta energy: -144.451
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: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1803.804223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.804223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.804223 (E_RNA)
where:
Base-Base interactions energy: -1245.538
where: short stacking energy: -508.917
Base-Backbone interact. energy: -0.590
local terms energy: -557.676644
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -107.841
flat angles C4'-P-C4' energy: -122.224
flat angles P-C4'-P energy: -88.681
tors. eta vs tors. theta energy: -137.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1567.563853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.563853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.563853 (E_RNA)
where:
Base-Base interactions energy: -1051.783
where: short stacking energy: -465.927
Base-Backbone interact. energy: 1.104
local terms energy: -516.883929
where:
bonds (distance) C4'-P energy: -105.792
bonds (distance) P-C4' energy: -107.179
flat angles C4'-P-C4' energy: -104.940
flat angles P-C4'-P energy: -84.656
tors. eta vs tors. theta energy: -114.317
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: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1493.851122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.851122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.851122 (E_RNA)
where:
Base-Base interactions energy: -1021.861
where: short stacking energy: -457.488
Base-Backbone interact. energy: -0.903
local terms energy: -471.087447
where:
bonds (distance) C4'-P energy: -90.190
bonds (distance) P-C4' energy: -102.299
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: -109.360
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: 288
Temperature: 1.200000
Total energy: -1377.374911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.374911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.374911 (E_RNA)
where:
Base-Base interactions energy: -913.779
where: short stacking energy: -393.980
Base-Backbone interact. energy: -2.639
local terms energy: -460.957188
where:
bonds (distance) C4'-P energy: -98.200
bonds (distance) P-C4' energy: -89.494
flat angles C4'-P-C4' energy: -113.361
flat angles P-C4'-P energy: -65.942
tors. eta vs tors. theta energy: -93.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1264.258951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.258951 (E_RNA)
where:
Base-Base interactions energy: -817.846
where: short stacking energy: -354.867
Base-Backbone interact. energy: -1.605
local terms energy: -444.808000
where:
bonds (distance) C4'-P energy: -90.596
bonds (distance) P-C4' energy: -89.294
flat angles C4'-P-C4' energy: -110.276
flat angles P-C4'-P energy: -73.153
tors. eta vs tors. theta energy: -81.489
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: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -920.868771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.868771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.868771 (E_RNA)
where:
Base-Base interactions energy: -498.414
where: short stacking energy: -268.091
Base-Backbone interact. energy: -2.459
local terms energy: -419.996109
where:
bonds (distance) C4'-P energy: -93.362
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -108.399
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -43.669
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: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -595.687188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.687188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.687188 (E_RNA)
where:
Base-Base interactions energy: -279.977
where: short stacking energy: -172.466
Base-Backbone interact. energy: -0.622
local terms energy: -315.087756
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -90.455
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: 11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2091.550944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.550944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.550944 (E_RNA)
where:
Base-Base interactions energy: -1479.596
where: short stacking energy: -572.624
Base-Backbone interact. energy: -4.131
local terms energy: -607.824410
where:
bonds (distance) C4'-P energy: -118.173
bonds (distance) P-C4' energy: -102.661
flat angles C4'-P-C4' energy: -140.179
flat angles P-C4'-P energy: -84.852
tors. eta vs tors. theta energy: -161.959
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: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1972.616840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.616840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.616840 (E_RNA)
where:
Base-Base interactions energy: -1378.781
where: short stacking energy: -574.319
Base-Backbone interact. energy: 0.827
local terms energy: -594.662183
where:
bonds (distance) C4'-P energy: -115.114
bonds (distance) P-C4' energy: -118.960
flat angles C4'-P-C4' energy: -126.032
flat angles P-C4'-P energy: -74.244
tors. eta vs tors. theta energy: -160.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1916.100017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.100017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.100017 (E_RNA)
where:
Base-Base interactions energy: -1330.514
where: short stacking energy: -549.347
Base-Backbone interact. energy: -0.468
local terms energy: -585.117973
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -115.775
flat angles C4'-P-C4' energy: -118.060
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -157.495
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: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1800.031965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.031965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.031965 (E_RNA)
where:
Base-Base interactions energy: -1256.626
where: short stacking energy: -537.851
Base-Backbone interact. energy: -3.266
local terms energy: -540.139723
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -103.109
flat angles C4'-P-C4' energy: -116.200
flat angles P-C4'-P energy: -84.629
tors. eta vs tors. theta energy: -146.164
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1604.167101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.167101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.167101 (E_RNA)
where:
Base-Base interactions energy: -1086.344
where: short stacking energy: -457.366
Base-Backbone interact. energy: 0.929
local terms energy: -518.751527
where:
bonds (distance) C4'-P energy: -98.355
bonds (distance) P-C4' energy: -105.791
flat angles C4'-P-C4' energy: -112.796
flat angles P-C4'-P energy: -78.888
tors. eta vs tors. theta energy: -122.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1489.272430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.272430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.272430 (E_RNA)
where:
Base-Base interactions energy: -976.375
where: short stacking energy: -439.994
Base-Backbone interact. energy: -2.885
local terms energy: -510.011910
where:
bonds (distance) C4'-P energy: -83.557
bonds (distance) P-C4' energy: -118.043
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -72.329
tors. eta vs tors. theta energy: -123.466
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: 289
Temperature: 1.200000
Total energy: -1390.974414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.974414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.974414 (E_RNA)
where:
Base-Base interactions energy: -942.615
where: short stacking energy: -395.367
Base-Backbone interact. energy: 2.742
local terms energy: -451.101336
where:
bonds (distance) C4'-P energy: -96.800
bonds (distance) P-C4' energy: -109.871
flat angles C4'-P-C4' energy: -92.771
flat angles P-C4'-P energy: -60.640
tors. eta vs tors. theta energy: -91.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1205.483873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.483873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.483873 (E_RNA)
where:
Base-Base interactions energy: -751.010
where: short stacking energy: -312.906
Base-Backbone interact. energy: -2.797
local terms energy: -451.676138
where:
bonds (distance) C4'-P energy: -110.897
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -107.804
flat angles P-C4'-P energy: -65.461
tors. eta vs tors. theta energy: -67.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -898.400012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.400012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.400012 (E_RNA)
where:
Base-Base interactions energy: -514.536
where: short stacking energy: -263.207
Base-Backbone interact. energy: 5.592
local terms energy: -389.455389
where:
bonds (distance) C4'-P energy: -101.846
bonds (distance) P-C4' energy: -112.855
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -542.696247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.696247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.696247 (E_RNA)
where:
Base-Base interactions energy: -233.181
where: short stacking energy: -167.342
Base-Backbone interact. energy: 6.419
local terms energy: -315.933694
where:
bonds (distance) C4'-P energy: -77.146
bonds (distance) P-C4' energy: -111.546
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -60.035
tors. eta vs tors. theta energy: 12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2087.182703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.182703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.182703 (E_RNA)
where:
Base-Base interactions energy: -1478.413
where: short stacking energy: -591.984
Base-Backbone interact. energy: -1.478
local terms energy: -607.292034
where:
bonds (distance) C4'-P energy: -116.868
bonds (distance) P-C4' energy: -120.028
flat angles C4'-P-C4' energy: -127.431
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -168.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1975.798011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.798011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.798011 (E_RNA)
where:
Base-Base interactions energy: -1391.467
where: short stacking energy: -561.556
Base-Backbone interact. energy: -2.342
local terms energy: -581.989030
where:
bonds (distance) C4'-P energy: -112.259
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -127.872
flat angles P-C4'-P energy: -80.862
tors. eta vs tors. theta energy: -155.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1916.793513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.793513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.793513 (E_RNA)
where:
Base-Base interactions energy: -1349.680
where: short stacking energy: -531.197
Base-Backbone interact. energy: -8.016
local terms energy: -559.097648
where:
bonds (distance) C4'-P energy: -108.407
bonds (distance) P-C4' energy: -115.970
flat angles C4'-P-C4' energy: -118.778
flat angles P-C4'-P energy: -70.696
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: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1808.839448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.839448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.839448 (E_RNA)
where:
Base-Base interactions energy: -1256.679
where: short stacking energy: -530.434
Base-Backbone interact. energy: -1.677
local terms energy: -550.484196
where:
bonds (distance) C4'-P energy: -82.762
bonds (distance) P-C4' energy: -107.964
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -86.995
tors. eta vs tors. theta energy: -148.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1652.414208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.414208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.414208 (E_RNA)
where:
Base-Base interactions energy: -1116.514
where: short stacking energy: -474.066
Base-Backbone interact. energy: -0.881
local terms energy: -535.019172
where:
bonds (distance) C4'-P energy: -98.185
bonds (distance) P-C4' energy: -102.523
flat angles C4'-P-C4' energy: -122.099
flat angles P-C4'-P energy: -78.353
tors. eta vs tors. theta energy: -133.860
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: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1481.119391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.119391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.119391 (E_RNA)
where:
Base-Base interactions energy: -980.266
where: short stacking energy: -416.691
Base-Backbone interact. energy: -1.377
local terms energy: -499.476677
where:
bonds (distance) C4'-P energy: -83.945
bonds (distance) P-C4' energy: -90.599
flat angles C4'-P-C4' energy: -114.981
flat angles P-C4'-P energy: -93.429
tors. eta vs tors. theta energy: -116.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1339.779800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.779800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.779800 (E_RNA)
where:
Base-Base interactions energy: -902.577
where: short stacking energy: -385.171
Base-Backbone interact. energy: -2.819
local terms energy: -434.383527
where:
bonds (distance) C4'-P energy: -86.194
bonds (distance) P-C4' energy: -102.371
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -87.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1292.341410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.341410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.341410 (E_RNA)
where:
Base-Base interactions energy: -838.370
where: short stacking energy: -354.901
Base-Backbone interact. energy: -1.428
local terms energy: -452.543375
where:
bonds (distance) C4'-P energy: -94.031
bonds (distance) P-C4' energy: -101.868
flat angles C4'-P-C4' energy: -94.897
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -84.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -871.169498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.169498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.169498 (E_RNA)
where:
Base-Base interactions energy: -521.598
where: short stacking energy: -236.052
Base-Backbone interact. energy: 0.382
local terms energy: -349.953188
where:
bonds (distance) C4'-P energy: -85.617
bonds (distance) P-C4' energy: -100.691
flat angles C4'-P-C4' energy: -87.611
flat angles P-C4'-P energy: -62.591
tors. eta vs tors. theta energy: -13.442
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: 290
Temperature: 1.350000
Total energy: -532.432688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.432688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.432688 (E_RNA)
where:
Base-Base interactions energy: -242.789
where: short stacking energy: -169.882
Base-Backbone interact. energy: 3.173
local terms energy: -292.816499
where:
bonds (distance) C4'-P energy: -88.152
bonds (distance) P-C4' energy: -92.198
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -51.217
tors. eta vs tors. theta energy: 13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2081.121585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.121585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.121585 (E_RNA)
where:
Base-Base interactions energy: -1458.636
where: short stacking energy: -597.267
Base-Backbone interact. energy: -5.461
local terms energy: -617.024548
where:
bonds (distance) C4'-P energy: -121.347
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -129.862
flat angles P-C4'-P energy: -80.977
tors. eta vs tors. theta energy: -165.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1963.713917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.713917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.713917 (E_RNA)
where:
Base-Base interactions energy: -1362.074
where: short stacking energy: -560.008
Base-Backbone interact. energy: 1.105
local terms energy: -602.745369
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -107.419
flat angles C4'-P-C4' energy: -126.738
flat angles P-C4'-P energy: -93.365
tors. eta vs tors. theta energy: -164.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1912.689667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.689667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.689667 (E_RNA)
where:
Base-Base interactions energy: -1334.614
where: short stacking energy: -543.396
Base-Backbone interact. energy: -3.796
local terms energy: -574.279150
where:
bonds (distance) C4'-P energy: -109.577
bonds (distance) P-C4' energy: -97.128
flat angles C4'-P-C4' energy: -120.400
flat angles P-C4'-P energy: -94.624
tors. eta vs tors. theta energy: -152.551
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: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1806.321999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.321999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.321999 (E_RNA)
where:
Base-Base interactions energy: -1254.602
where: short stacking energy: -510.571
Base-Backbone interact. energy: -0.601
local terms energy: -551.119053
where:
bonds (distance) C4'-P energy: -123.775
bonds (distance) P-C4' energy: -106.238
flat angles C4'-P-C4' energy: -123.339
flat angles P-C4'-P energy: -62.548
tors. eta vs tors. theta energy: -135.218
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: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1646.064558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.064558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.064558 (E_RNA)
where:
Base-Base interactions energy: -1120.009
where: short stacking energy: -496.794
Base-Backbone interact. energy: -3.319
local terms energy: -522.736080
where:
bonds (distance) C4'-P energy: -95.005
bonds (distance) P-C4' energy: -96.690
flat angles C4'-P-C4' energy: -119.034
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -136.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1480.933188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.933188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.933188 (E_RNA)
where:
Base-Base interactions energy: -1003.831
where: short stacking energy: -453.176
Base-Backbone interact. energy: -0.100
local terms energy: -477.001660
where:
bonds (distance) C4'-P energy: -95.766
bonds (distance) P-C4' energy: -103.573
flat angles C4'-P-C4' energy: -109.273
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -115.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1369.597552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.597552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.597552 (E_RNA)
where:
Base-Base interactions energy: -897.358
where: short stacking energy: -398.624
Base-Backbone interact. energy: -1.438
local terms energy: -470.801461
where:
bonds (distance) C4'-P energy: -98.723
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -117.056
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -98.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1268.973873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.973873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.973873 (E_RNA)
where:
Base-Base interactions energy: -800.577
where: short stacking energy: -338.642
Base-Backbone interact. energy: -0.693
local terms energy: -467.704030
where:
bonds (distance) C4'-P energy: -106.890
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -77.359
tors. eta vs tors. theta energy: -71.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -874.367189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.367189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.367189 (E_RNA)
where:
Base-Base interactions energy: -511.261
where: short stacking energy: -259.888
Base-Backbone interact. energy: -0.930
local terms energy: -362.175901
where:
bonds (distance) C4'-P energy: -102.506
bonds (distance) P-C4' energy: -95.221
flat angles C4'-P-C4' energy: -84.257
flat angles P-C4'-P energy: -49.761
tors. eta vs tors. theta energy: -30.431
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: 291
Temperature: 1.350000
Total energy: -540.570986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.570986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.570986 (E_RNA)
where:
Base-Base interactions energy: -265.704
where: short stacking energy: -152.023
Base-Backbone interact. energy: 2.022
local terms energy: -276.888633
where:
bonds (distance) C4'-P energy: -87.860
bonds (distance) P-C4' energy: -82.695
flat angles C4'-P-C4' energy: -90.704
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: 25.686
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: 292
Temperature: 0.900000
Total energy: -2110.485261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.485261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.485261 (E_RNA)
where:
Base-Base interactions energy: -1500.101
where: short stacking energy: -588.841
Base-Backbone interact. energy: -2.109
local terms energy: -608.275120
where:
bonds (distance) C4'-P energy: -106.970
bonds (distance) P-C4' energy: -109.574
flat angles C4'-P-C4' energy: -130.495
flat angles P-C4'-P energy: -87.557
tors. eta vs tors. theta energy: -173.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1953.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.872970 (E_RNA)
where:
Base-Base interactions energy: -1329.549
where: short stacking energy: -552.069
Base-Backbone interact. energy: -3.690
local terms energy: -620.633447
where:
bonds (distance) C4'-P energy: -113.141
bonds (distance) P-C4' energy: -113.126
flat angles C4'-P-C4' energy: -128.593
flat angles P-C4'-P energy: -96.437
tors. eta vs tors. theta energy: -169.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1907.056473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.056473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.056473 (E_RNA)
where:
Base-Base interactions energy: -1306.503
where: short stacking energy: -505.974
Base-Backbone interact. energy: -0.927
local terms energy: -599.627199
where:
bonds (distance) C4'-P energy: -104.512
bonds (distance) P-C4' energy: -119.822
flat angles C4'-P-C4' energy: -136.391
flat angles P-C4'-P energy: -92.385
tors. eta vs tors. theta energy: -146.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1803.186120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.186120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.186120 (E_RNA)
where:
Base-Base interactions energy: -1272.223
where: short stacking energy: -510.947
Base-Backbone interact. energy: -5.698
local terms energy: -525.264432
where:
bonds (distance) C4'-P energy: -89.882
bonds (distance) P-C4' energy: -105.801
flat angles C4'-P-C4' energy: -114.064
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -143.848
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: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1608.786438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.786438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.786438 (E_RNA)
where:
Base-Base interactions energy: -1076.551
where: short stacking energy: -454.725
Base-Backbone interact. energy: -2.479
local terms energy: -529.756974
where:
bonds (distance) C4'-P energy: -111.260
bonds (distance) P-C4' energy: -109.900
flat angles C4'-P-C4' energy: -125.035
flat angles P-C4'-P energy: -74.096
tors. eta vs tors. theta energy: -109.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1468.833253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.833253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.833253 (E_RNA)
where:
Base-Base interactions energy: -972.549
where: short stacking energy: -425.426
Base-Backbone interact. energy: 1.417
local terms energy: -497.700786
where:
bonds (distance) C4'-P energy: -81.202
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -121.841
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -112.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1362.017104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.017104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.017104 (E_RNA)
where:
Base-Base interactions energy: -887.871
where: short stacking energy: -394.163
Base-Backbone interact. energy: 3.850
local terms energy: -477.995513
where:
bonds (distance) C4'-P energy: -98.981
bonds (distance) P-C4' energy: -99.713
flat angles C4'-P-C4' energy: -121.970
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -87.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1296.119042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.119042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.119042 (E_RNA)
where:
Base-Base interactions energy: -858.005
where: short stacking energy: -389.554
Base-Backbone interact. energy: -1.968
local terms energy: -436.146402
where:
bonds (distance) C4'-P energy: -94.434
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -96.796
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: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -879.621588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.621588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.621588 (E_RNA)
where:
Base-Base interactions energy: -522.291
where: short stacking energy: -235.499
Base-Backbone interact. energy: 0.257
local terms energy: -357.587839
where:
bonds (distance) C4'-P energy: -95.061
bonds (distance) P-C4' energy: -88.056
flat angles C4'-P-C4' energy: -99.433
flat angles P-C4'-P energy: -51.593
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -552.687099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.687099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.687099 (E_RNA)
where:
Base-Base interactions energy: -248.055
where: short stacking energy: -168.910
Base-Backbone interact. energy: 0.514
local terms energy: -305.146633
where:
bonds (distance) C4'-P energy: -82.466
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -89.719
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: 11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2118.013778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.013778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.013778 (E_RNA)
where:
Base-Base interactions energy: -1479.898
where: short stacking energy: -585.792
Base-Backbone interact. energy: -2.150
local terms energy: -635.965976
where:
bonds (distance) C4'-P energy: -116.613
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -138.456
flat angles P-C4'-P energy: -89.514
tors. eta vs tors. theta energy: -175.670
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1961.227861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.227861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.227861 (E_RNA)
where:
Base-Base interactions energy: -1374.422
where: short stacking energy: -561.421
Base-Backbone interact. energy: -3.383
local terms energy: -583.423483
where:
bonds (distance) C4'-P energy: -97.066
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -135.588
flat angles P-C4'-P energy: -78.009
tors. eta vs tors. theta energy: -163.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1936.619972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.619972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.619972 (E_RNA)
where:
Base-Base interactions energy: -1325.471
where: short stacking energy: -549.985
Base-Backbone interact. energy: -0.747
local terms energy: -610.401230
where:
bonds (distance) C4'-P energy: -108.523
bonds (distance) P-C4' energy: -115.407
flat angles C4'-P-C4' energy: -137.811
flat angles P-C4'-P energy: -82.024
tors. eta vs tors. theta energy: -166.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1829.648909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.648909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.648909 (E_RNA)
where:
Base-Base interactions energy: -1268.614
where: short stacking energy: -512.269
Base-Backbone interact. energy: -3.125
local terms energy: -557.909655
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -114.589
flat angles C4'-P-C4' energy: -130.685
flat angles P-C4'-P energy: -80.005
tors. eta vs tors. theta energy: -133.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1622.652158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.652158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.652158 (E_RNA)
where:
Base-Base interactions energy: -1107.222
where: short stacking energy: -477.457
Base-Backbone interact. energy: -0.649
local terms energy: -514.781024
where:
bonds (distance) C4'-P energy: -110.162
bonds (distance) P-C4' energy: -103.885
flat angles C4'-P-C4' energy: -109.573
flat angles P-C4'-P energy: -71.944
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: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1413.198585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.198585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.198585 (E_RNA)
where:
Base-Base interactions energy: -931.935
where: short stacking energy: -431.028
Base-Backbone interact. energy: 2.152
local terms energy: -483.415755
where:
bonds (distance) C4'-P energy: -81.427
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -102.051
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -104.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1369.459841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.459841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.459841 (E_RNA)
where:
Base-Base interactions energy: -919.968
where: short stacking energy: -409.873
Base-Backbone interact. energy: -0.753
local terms energy: -448.738755
where:
bonds (distance) C4'-P energy: -82.267
bonds (distance) P-C4' energy: -97.192
flat angles C4'-P-C4' energy: -99.763
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -98.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1251.302216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.302216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.302216 (E_RNA)
where:
Base-Base interactions energy: -827.423
where: short stacking energy: -376.193
Base-Backbone interact. energy: -1.031
local terms energy: -422.848096
where:
bonds (distance) C4'-P energy: -78.342
bonds (distance) P-C4' energy: -95.891
flat angles C4'-P-C4' energy: -101.704
flat angles P-C4'-P energy: -65.137
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -953.916240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.916240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.916240 (E_RNA)
where:
Base-Base interactions energy: -580.540
where: short stacking energy: -281.197
Base-Backbone interact. energy: 2.087
local terms energy: -375.462747
where:
bonds (distance) C4'-P energy: -84.829
bonds (distance) P-C4' energy: -90.163
flat angles C4'-P-C4' energy: -105.827
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -46.094
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: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -561.338391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.338391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.338391 (E_RNA)
where:
Base-Base interactions energy: -256.455
where: short stacking energy: -162.614
Base-Backbone interact. energy: 1.620
local terms energy: -306.503033
where:
bonds (distance) C4'-P energy: -88.692
bonds (distance) P-C4' energy: -99.230
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: 19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2087.906004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.906004 (E_RNA)
where:
Base-Base interactions energy: -1469.912
where: short stacking energy: -583.265
Base-Backbone interact. energy: -2.230
local terms energy: -615.763924
where:
bonds (distance) C4'-P energy: -116.504
bonds (distance) P-C4' energy: -121.841
flat angles C4'-P-C4' energy: -121.942
flat angles P-C4'-P energy: -86.615
tors. eta vs tors. theta energy: -168.861
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1981.163115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.163115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.163115 (E_RNA)
where:
Base-Base interactions energy: -1370.038
where: short stacking energy: -555.806
Base-Backbone interact. energy: -3.822
local terms energy: -607.302983
where:
bonds (distance) C4'-P energy: -117.877
bonds (distance) P-C4' energy: -119.210
flat angles C4'-P-C4' energy: -125.624
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -157.282
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: 294
Temperature: 1.000000
Total energy: -1876.569954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.569954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.569954 (E_RNA)
where:
Base-Base interactions energy: -1311.263
where: short stacking energy: -533.394
Base-Backbone interact. energy: -6.460
local terms energy: -558.846447
where:
bonds (distance) C4'-P energy: -94.780
bonds (distance) P-C4' energy: -110.309
flat angles C4'-P-C4' energy: -125.344
flat angles P-C4'-P energy: -86.624
tors. eta vs tors. theta energy: -141.790
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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1782.315517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.315517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.315517 (E_RNA)
where:
Base-Base interactions energy: -1239.047
where: short stacking energy: -514.813
Base-Backbone interact. energy: -2.993
local terms energy: -540.275304
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -109.120
flat angles C4'-P-C4' energy: -119.902
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -132.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1651.306868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.306868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.306868 (E_RNA)
where:
Base-Base interactions energy: -1160.406
where: short stacking energy: -481.741
Base-Backbone interact. energy: 7.601
local terms energy: -498.501613
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -89.562
flat angles C4'-P-C4' energy: -105.474
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -132.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1479.877882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.877882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.877882 (E_RNA)
where:
Base-Base interactions energy: -960.279
where: short stacking energy: -444.107
Base-Backbone interact. energy: -2.519
local terms energy: -517.080135
where:
bonds (distance) C4'-P energy: -93.698
bonds (distance) P-C4' energy: -117.511
flat angles C4'-P-C4' energy: -109.575
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -118.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1405.675906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.675906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.675906 (E_RNA)
where:
Base-Base interactions energy: -941.054
where: short stacking energy: -379.787
Base-Backbone interact. energy: -0.381
local terms energy: -464.240948
where:
bonds (distance) C4'-P energy: -92.636
bonds (distance) P-C4' energy: -118.095
flat angles C4'-P-C4' energy: -98.975
flat angles P-C4'-P energy: -65.963
tors. eta vs tors. theta energy: -88.573
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: 294
Temperature: 1.250000
Total energy: -1275.592967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.592967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.592967 (E_RNA)
where:
Base-Base interactions energy: -833.843
where: short stacking energy: -344.894
Base-Backbone interact. energy: -3.098
local terms energy: -438.652579
where:
bonds (distance) C4'-P energy: -75.586
bonds (distance) P-C4' energy: -111.599
flat angles C4'-P-C4' energy: -103.484
flat angles P-C4'-P energy: -69.025
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -916.231368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.231368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.231368 (E_RNA)
where:
Base-Base interactions energy: -525.650
where: short stacking energy: -255.113
Base-Backbone interact. energy: 0.271
local terms energy: -390.852375
where:
bonds (distance) C4'-P energy: -111.051
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -95.407
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -37.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -552.631121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.631121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.631121 (E_RNA)
where:
Base-Base interactions energy: -249.027
where: short stacking energy: -187.312
Base-Backbone interact. energy: 5.101
local terms energy: -308.705409
where:
bonds (distance) C4'-P energy: -88.491
bonds (distance) P-C4' energy: -99.841
flat angles C4'-P-C4' energy: -87.545
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: 12.423
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: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2080.090529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.090529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.090529 (E_RNA)
where:
Base-Base interactions energy: -1464.916
where: short stacking energy: -596.890
Base-Backbone interact. energy: -1.666
local terms energy: -613.508195
where:
bonds (distance) C4'-P energy: -120.162
bonds (distance) P-C4' energy: -106.406
flat angles C4'-P-C4' energy: -127.945
flat angles P-C4'-P energy: -85.760
tors. eta vs tors. theta energy: -173.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1989.661408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.661408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.661408 (E_RNA)
where:
Base-Base interactions energy: -1390.475
where: short stacking energy: -557.128
Base-Backbone interact. energy: -1.976
local terms energy: -597.209814
where:
bonds (distance) C4'-P energy: -105.578
bonds (distance) P-C4' energy: -114.609
flat angles C4'-P-C4' energy: -132.383
flat angles P-C4'-P energy: -85.116
tors. eta vs tors. theta energy: -159.524
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1897.929752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.929752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.929752 (E_RNA)
where:
Base-Base interactions energy: -1312.943
where: short stacking energy: -544.355
Base-Backbone interact. energy: 2.374
local terms energy: -587.360797
where:
bonds (distance) C4'-P energy: -109.705
bonds (distance) P-C4' energy: -111.796
flat angles C4'-P-C4' energy: -122.337
flat angles P-C4'-P energy: -79.833
tors. eta vs tors. theta energy: -163.690
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1746.281168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.281168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.281168 (E_RNA)
where:
Base-Base interactions energy: -1179.051
where: short stacking energy: -476.744
Base-Backbone interact. energy: -3.535
local terms energy: -563.695848
where:
bonds (distance) C4'-P energy: -104.524
bonds (distance) P-C4' energy: -120.290
flat angles C4'-P-C4' energy: -127.558
flat angles P-C4'-P energy: -85.948
tors. eta vs tors. theta energy: -125.377
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: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1620.476483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.476483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.476483 (E_RNA)
where:
Base-Base interactions energy: -1088.620
where: short stacking energy: -473.442
Base-Backbone interact. energy: 2.122
local terms energy: -533.979223
where:
bonds (distance) C4'-P energy: -108.559
bonds (distance) P-C4' energy: -101.327
flat angles C4'-P-C4' energy: -116.528
flat angles P-C4'-P energy: -77.178
tors. eta vs tors. theta energy: -130.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1466.429886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.429886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.429886 (E_RNA)
where:
Base-Base interactions energy: -978.495
where: short stacking energy: -415.915
Base-Backbone interact. energy: -2.599
local terms energy: -485.334951
where:
bonds (distance) C4'-P energy: -97.915
bonds (distance) P-C4' energy: -105.463
flat angles C4'-P-C4' energy: -105.267
flat angles P-C4'-P energy: -76.380
tors. eta vs tors. theta energy: -100.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1359.477171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.477171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.477171 (E_RNA)
where:
Base-Base interactions energy: -872.872
where: short stacking energy: -398.173
Base-Backbone interact. energy: -1.849
local terms energy: -484.756018
where:
bonds (distance) C4'-P energy: -85.481
bonds (distance) P-C4' energy: -117.898
flat angles C4'-P-C4' energy: -104.266
flat angles P-C4'-P energy: -66.458
tors. eta vs tors. theta energy: -110.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1250.441579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.441579 (E_RNA)
where:
Base-Base interactions energy: -798.510
where: short stacking energy: -344.632
Base-Backbone interact. energy: -3.773
local terms energy: -448.158493
where:
bonds (distance) C4'-P energy: -106.683
bonds (distance) P-C4' energy: -103.640
flat angles C4'-P-C4' energy: -97.029
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -76.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -882.839293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.839293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.839293 (E_RNA)
where:
Base-Base interactions energy: -520.690
where: short stacking energy: -277.500
Base-Backbone interact. energy: 10.338
local terms energy: -372.487926
where:
bonds (distance) C4'-P energy: -100.599
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -69.846
tors. eta vs tors. theta energy: -32.500
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: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -547.635369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.635369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.635369 (E_RNA)
where:
Base-Base interactions energy: -255.785
where: short stacking energy: -169.677
Base-Backbone interact. energy: -0.185
local terms energy: -291.665284
where:
bonds (distance) C4'-P energy: -86.071
bonds (distance) P-C4' energy: -95.132
flat angles C4'-P-C4' energy: -71.830
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: 12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2107.221730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.221730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.221730 (E_RNA)
where:
Base-Base interactions energy: -1494.023
where: short stacking energy: -604.502
Base-Backbone interact. energy: -2.863
local terms energy: -610.335590
where:
bonds (distance) C4'-P energy: -103.287
bonds (distance) P-C4' energy: -98.481
flat angles C4'-P-C4' energy: -137.795
flat angles P-C4'-P energy: -91.497
tors. eta vs tors. theta energy: -179.275
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: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1991.623166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.623166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.623166 (E_RNA)
where:
Base-Base interactions energy: -1382.798
where: short stacking energy: -556.302
Base-Backbone interact. energy: -4.314
local terms energy: -604.511367
where:
bonds (distance) C4'-P energy: -110.458
bonds (distance) P-C4' energy: -116.347
flat angles C4'-P-C4' energy: -131.450
flat angles P-C4'-P energy: -86.107
tors. eta vs tors. theta energy: -160.149
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: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1893.313589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.313589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.313589 (E_RNA)
where:
Base-Base interactions energy: -1298.599
where: short stacking energy: -547.939
Base-Backbone interact. energy: -1.355
local terms energy: -593.359000
where:
bonds (distance) C4'-P energy: -120.616
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -114.272
flat angles P-C4'-P energy: -83.686
tors. eta vs tors. theta energy: -159.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1750.162541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.162541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.162541 (E_RNA)
where:
Base-Base interactions energy: -1196.531
where: short stacking energy: -486.222
Base-Backbone interact. energy: -4.099
local terms energy: -549.532791
where:
bonds (distance) C4'-P energy: -110.617
bonds (distance) P-C4' energy: -105.540
flat angles C4'-P-C4' energy: -118.088
flat angles P-C4'-P energy: -81.249
tors. eta vs tors. theta energy: -134.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1625.103956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.103956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.103956 (E_RNA)
where:
Base-Base interactions energy: -1104.305
where: short stacking energy: -473.225
Base-Backbone interact. energy: -2.439
local terms energy: -518.359477
where:
bonds (distance) C4'-P energy: -102.269
bonds (distance) P-C4' energy: -95.887
flat angles C4'-P-C4' energy: -115.924
flat angles P-C4'-P energy: -74.862
tors. eta vs tors. theta energy: -129.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1495.333251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.333251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.333251 (E_RNA)
where:
Base-Base interactions energy: -984.295
where: short stacking energy: -439.467
Base-Backbone interact. energy: 0.023
local terms energy: -511.060360
where:
bonds (distance) C4'-P energy: -110.699
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -115.928
flat angles P-C4'-P energy: -57.152
tors. eta vs tors. theta energy: -114.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1362.315461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.315461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.315461 (E_RNA)
where:
Base-Base interactions energy: -884.258
where: short stacking energy: -383.376
Base-Backbone interact. energy: -1.485
local terms energy: -476.573082
where:
bonds (distance) C4'-P energy: -99.457
bonds (distance) P-C4' energy: -94.440
flat angles C4'-P-C4' energy: -107.584
flat angles P-C4'-P energy: -73.578
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: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1250.901254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.901254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.901254 (E_RNA)
where:
Base-Base interactions energy: -820.399
where: short stacking energy: -348.568
Base-Backbone interact. energy: 1.285
local terms energy: -431.787766
where:
bonds (distance) C4'-P energy: -79.105
bonds (distance) P-C4' energy: -97.274
flat angles C4'-P-C4' energy: -121.334
flat angles P-C4'-P energy: -66.526
tors. eta vs tors. theta energy: -67.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -877.810158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.810158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.810158 (E_RNA)
where:
Base-Base interactions energy: -509.339
where: short stacking energy: -253.309
Base-Backbone interact. energy: -2.981
local terms energy: -365.489622
where:
bonds (distance) C4'-P energy: -95.258
bonds (distance) P-C4' energy: -105.105
flat angles C4'-P-C4' energy: -84.677
flat angles P-C4'-P energy: -59.904
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -560.354109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.354109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.354109 (E_RNA)
where:
Base-Base interactions energy: -235.363
where: short stacking energy: -167.064
Base-Backbone interact. energy: -0.871
local terms energy: -324.119522
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: 16.000
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: 297
Temperature: 0.900000
Total energy: -2086.204778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.204778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.204778 (E_RNA)
where:
Base-Base interactions energy: -1478.398
where: short stacking energy: -605.737
Base-Backbone interact. energy: -1.001
local terms energy: -606.805828
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -119.153
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -170.662
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: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2001.379500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.379500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.379500 (E_RNA)
where:
Base-Base interactions energy: -1394.065
where: short stacking energy: -535.631
Base-Backbone interact. energy: -3.276
local terms energy: -604.038374
where:
bonds (distance) C4'-P energy: -120.396
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -128.621
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -155.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1892.802932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.802932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.802932 (E_RNA)
where:
Base-Base interactions energy: -1315.834
where: short stacking energy: -541.244
Base-Backbone interact. energy: -3.858
local terms energy: -573.111549
where:
bonds (distance) C4'-P energy: -109.635
bonds (distance) P-C4' energy: -114.935
flat angles C4'-P-C4' energy: -130.914
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -150.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1744.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.400634 (E_RNA)
where:
Base-Base interactions energy: -1160.663
where: short stacking energy: -499.903
Base-Backbone interact. energy: -5.384
local terms energy: -578.354082
where:
bonds (distance) C4'-P energy: -125.345
bonds (distance) P-C4' energy: -115.775
flat angles C4'-P-C4' energy: -113.965
flat angles P-C4'-P energy: -83.858
tors. eta vs tors. theta energy: -139.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1646.086437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.086437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.086437 (E_RNA)
where:
Base-Base interactions energy: -1120.250
where: short stacking energy: -498.036
Base-Backbone interact. energy: -3.193
local terms energy: -522.643668
where:
bonds (distance) C4'-P energy: -98.244
bonds (distance) P-C4' energy: -93.436
flat angles C4'-P-C4' energy: -112.913
flat angles P-C4'-P energy: -75.079
tors. eta vs tors. theta energy: -142.972
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: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1464.109686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.109686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.109686 (E_RNA)
where:
Base-Base interactions energy: -965.920
where: short stacking energy: -418.727
Base-Backbone interact. energy: -3.331
local terms energy: -494.859369
where:
bonds (distance) C4'-P energy: -101.208
bonds (distance) P-C4' energy: -100.732
flat angles C4'-P-C4' energy: -105.401
flat angles P-C4'-P energy: -77.715
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: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1315.540085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.540085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.540085 (E_RNA)
where:
Base-Base interactions energy: -876.372
where: short stacking energy: -380.949
Base-Backbone interact. energy: -2.264
local terms energy: -436.904158
where:
bonds (distance) C4'-P energy: -91.193
bonds (distance) P-C4' energy: -107.530
flat angles C4'-P-C4' energy: -100.068
flat angles P-C4'-P energy: -62.402
tors. eta vs tors. theta energy: -75.712
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: 297
Temperature: 1.250000
Total energy: -1253.927973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.927973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.927973 (E_RNA)
where:
Base-Base interactions energy: -840.178
where: short stacking energy: -365.573
Base-Backbone interact. energy: -2.556
local terms energy: -411.194464
where:
bonds (distance) C4'-P energy: -90.518
bonds (distance) P-C4' energy: -94.256
flat angles C4'-P-C4' energy: -97.431
flat angles P-C4'-P energy: -56.100
tors. eta vs tors. theta energy: -72.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -850.996763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.996763 (E_RNA)
where:
Base-Base interactions energy: -496.482
where: short stacking energy: -254.355
Base-Backbone interact. energy: 3.287
local terms energy: -357.801042
where:
bonds (distance) C4'-P energy: -81.779
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -85.559
flat angles P-C4'-P energy: -57.492
tors. eta vs tors. theta energy: -35.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -565.833755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.833755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.833755 (E_RNA)
where:
Base-Base interactions energy: -254.673
where: short stacking energy: -183.815
Base-Backbone interact. energy: -0.917
local terms energy: -310.244114
where:
bonds (distance) C4'-P energy: -100.807
bonds (distance) P-C4' energy: -89.514
flat angles C4'-P-C4' energy: -89.859
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: 10.825
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: 298
Temperature: 0.900000
Total energy: -2054.976645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.976645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.976645 (E_RNA)
where:
Base-Base interactions energy: -1429.909
where: short stacking energy: -556.778
Base-Backbone interact. energy: -0.888
local terms energy: -624.180303
where:
bonds (distance) C4'-P energy: -120.262
bonds (distance) P-C4' energy: -114.272
flat angles C4'-P-C4' energy: -135.197
flat angles P-C4'-P energy: -91.799
tors. eta vs tors. theta energy: -162.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2003.724150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.724150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.724150 (E_RNA)
where:
Base-Base interactions energy: -1407.148
where: short stacking energy: -563.069
Base-Backbone interact. energy: -1.575
local terms energy: -595.001968
where:
bonds (distance) C4'-P energy: -107.717
bonds (distance) P-C4' energy: -116.393
flat angles C4'-P-C4' energy: -126.086
flat angles P-C4'-P energy: -88.560
tors. eta vs tors. theta energy: -156.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1893.992682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.992682 (E_RNA)
where:
Base-Base interactions energy: -1318.045
where: short stacking energy: -554.764
Base-Backbone interact. energy: -1.371
local terms energy: -574.576482
where:
bonds (distance) C4'-P energy: -101.731
bonds (distance) P-C4' energy: -101.403
flat angles C4'-P-C4' energy: -130.591
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -155.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1742.786491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.786491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.786491 (E_RNA)
where:
Base-Base interactions energy: -1205.620
where: short stacking energy: -493.453
Base-Backbone interact. energy: -1.094
local terms energy: -536.072829
where:
bonds (distance) C4'-P energy: -99.059
bonds (distance) P-C4' energy: -102.609
flat angles C4'-P-C4' energy: -121.485
flat angles P-C4'-P energy: -83.105
tors. eta vs tors. theta energy: -129.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1660.990582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.990582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.990582 (E_RNA)
where:
Base-Base interactions energy: -1133.312
where: short stacking energy: -475.056
Base-Backbone interact. energy: -1.491
local terms energy: -526.188266
where:
bonds (distance) C4'-P energy: -100.968
bonds (distance) P-C4' energy: -107.612
flat angles C4'-P-C4' energy: -117.206
flat angles P-C4'-P energy: -72.377
tors. eta vs tors. theta energy: -128.026
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: 298
Temperature: 1.150000
Total energy: -1517.376610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.376610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.376610 (E_RNA)
where:
Base-Base interactions energy: -999.372
where: short stacking energy: -426.309
Base-Backbone interact. energy: -1.330
local terms energy: -516.674909
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -107.062
flat angles C4'-P-C4' energy: -115.249
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -114.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1299.524732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.524732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.524732 (E_RNA)
where:
Base-Base interactions energy: -822.726
where: short stacking energy: -368.655
Base-Backbone interact. energy: -1.227
local terms energy: -475.571735
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -107.642
flat angles P-C4'-P energy: -54.477
tors. eta vs tors. theta energy: -102.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1268.222265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.222265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.222265 (E_RNA)
where:
Base-Base interactions energy: -837.368
where: short stacking energy: -368.283
Base-Backbone interact. energy: -1.452
local terms energy: -429.401823
where:
bonds (distance) C4'-P energy: -100.858
bonds (distance) P-C4' energy: -100.219
flat angles C4'-P-C4' energy: -84.891
flat angles P-C4'-P energy: -69.652
tors. eta vs tors. theta energy: -73.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -872.574004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.574004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.574004 (E_RNA)
where:
Base-Base interactions energy: -509.247
where: short stacking energy: -264.053
Base-Backbone interact. energy: 0.564
local terms energy: -363.891784
where:
bonds (distance) C4'-P energy: -90.146
bonds (distance) P-C4' energy: -99.491
flat angles C4'-P-C4' energy: -90.388
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -589.113781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.113781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.113781 (E_RNA)
where:
Base-Base interactions energy: -256.527
where: short stacking energy: -153.876
Base-Backbone interact. energy: -3.144
local terms energy: -329.442943
where:
bonds (distance) C4'-P energy: -88.404
bonds (distance) P-C4' energy: -104.454
flat angles C4'-P-C4' energy: -89.944
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: 6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2100.593731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.593731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.593731 (E_RNA)
where:
Base-Base interactions energy: -1460.038
where: short stacking energy: -594.341
Base-Backbone interact. energy: -1.006
local terms energy: -639.549493
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -129.145
flat angles P-C4'-P energy: -97.512
tors. eta vs tors. theta energy: -174.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2006.563611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.563611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.563611 (E_RNA)
where:
Base-Base interactions energy: -1372.164
where: short stacking energy: -580.696
Base-Backbone interact. energy: -2.229
local terms energy: -632.170683
where:
bonds (distance) C4'-P energy: -112.783
bonds (distance) P-C4' energy: -117.826
flat angles C4'-P-C4' energy: -134.550
flat angles P-C4'-P energy: -95.949
tors. eta vs tors. theta energy: -171.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1927.705912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.705912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.705912 (E_RNA)
where:
Base-Base interactions energy: -1325.854
where: short stacking energy: -546.205
Base-Backbone interact. energy: -0.159
local terms energy: -601.693061
where:
bonds (distance) C4'-P energy: -106.091
bonds (distance) P-C4' energy: -120.407
flat angles C4'-P-C4' energy: -117.799
flat angles P-C4'-P energy: -93.046
tors. eta vs tors. theta energy: -164.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1723.288547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.288547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.288547 (E_RNA)
where:
Base-Base interactions energy: -1175.856
where: short stacking energy: -510.878
Base-Backbone interact. energy: -2.987
local terms energy: -544.445084
where:
bonds (distance) C4'-P energy: -105.487
bonds (distance) P-C4' energy: -107.904
flat angles C4'-P-C4' energy: -124.763
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -134.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1634.726667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.726667 (E_RNA)
where:
Base-Base interactions energy: -1129.394
where: short stacking energy: -443.808
Base-Backbone interact. energy: -1.397
local terms energy: -503.935828
where:
bonds (distance) C4'-P energy: -88.758
bonds (distance) P-C4' energy: -114.854
flat angles C4'-P-C4' energy: -124.875
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -118.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1495.969740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.969740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.969740 (E_RNA)
where:
Base-Base interactions energy: -993.931
where: short stacking energy: -419.307
Base-Backbone interact. energy: -1.950
local terms energy: -500.088727
where:
bonds (distance) C4'-P energy: -104.891
bonds (distance) P-C4' energy: -105.302
flat angles C4'-P-C4' energy: -114.713
flat angles P-C4'-P energy: -67.647
tors. eta vs tors. theta energy: -107.537
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: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1327.589758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.589758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.589758 (E_RNA)
where:
Base-Base interactions energy: -870.458
where: short stacking energy: -411.217
Base-Backbone interact. energy: -3.223
local terms energy: -453.908693
where:
bonds (distance) C4'-P energy: -104.419
bonds (distance) P-C4' energy: -100.541
flat angles C4'-P-C4' energy: -106.778
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -79.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1302.270256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.270256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.270256 (E_RNA)
where:
Base-Base interactions energy: -849.391
where: short stacking energy: -374.319
Base-Backbone interact. energy: -1.612
local terms energy: -451.266616
where:
bonds (distance) C4'-P energy: -100.266
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -59.547
tors. eta vs tors. theta energy: -78.610
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: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -914.008627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.008627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.008627 (E_RNA)
where:
Base-Base interactions energy: -515.414
where: short stacking energy: -270.312
Base-Backbone interact. energy: -0.686
local terms energy: -397.908624
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -102.971
flat angles C4'-P-C4' energy: -104.072
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -41.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -610.072045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.072045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.072045 (E_RNA)
where:
Base-Base interactions energy: -299.812
where: short stacking energy: -179.881
Base-Backbone interact. energy: 3.235
local terms energy: -313.494676
where:
bonds (distance) C4'-P energy: -80.953
bonds (distance) P-C4' energy: -95.649
flat angles C4'-P-C4' energy: -83.329
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2049.105602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.105602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.105602 (E_RNA)
where:
Base-Base interactions energy: -1415.498
where: short stacking energy: -592.437
Base-Backbone interact. energy: -3.719
local terms energy: -629.888027
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -108.149
flat angles C4'-P-C4' energy: -134.044
flat angles P-C4'-P energy: -92.833
tors. eta vs tors. theta energy: -169.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1996.825043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.825043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.825043 (E_RNA)
where:
Base-Base interactions energy: -1391.217
where: short stacking energy: -589.442
Base-Backbone interact. energy: -1.038
local terms energy: -604.569760
where:
bonds (distance) C4'-P energy: -123.262
bonds (distance) P-C4' energy: -114.263
flat angles C4'-P-C4' energy: -124.800
flat angles P-C4'-P energy: -71.494
tors. eta vs tors. theta energy: -170.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1880.170223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.170223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.170223 (E_RNA)
where:
Base-Base interactions energy: -1300.384
where: short stacking energy: -548.387
Base-Backbone interact. energy: 0.705
local terms energy: -580.491469
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -117.841
flat angles P-C4'-P energy: -77.812
tors. eta vs tors. theta energy: -162.229
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: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1743.629691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.629691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.629691 (E_RNA)
where:
Base-Base interactions energy: -1195.813
where: short stacking energy: -504.082
Base-Backbone interact. energy: -1.906
local terms energy: -545.910140
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -123.956
flat angles P-C4'-P energy: -80.130
tors. eta vs tors. theta energy: -123.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1625.537991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.537991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.537991 (E_RNA)
where:
Base-Base interactions energy: -1081.587
where: short stacking energy: -459.369
Base-Backbone interact. energy: 0.182
local terms energy: -544.132385
where:
bonds (distance) C4'-P energy: -100.386
bonds (distance) P-C4' energy: -104.634
flat angles C4'-P-C4' energy: -118.404
flat angles P-C4'-P energy: -84.749
tors. eta vs tors. theta energy: -135.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1459.488270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.488270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.488270 (E_RNA)
where:
Base-Base interactions energy: -941.234
where: short stacking energy: -423.321
Base-Backbone interact. energy: -2.369
local terms energy: -515.884940
where:
bonds (distance) C4'-P energy: -109.900
bonds (distance) P-C4' energy: -105.401
flat angles C4'-P-C4' energy: -117.030
flat angles P-C4'-P energy: -73.134
tors. eta vs tors. theta energy: -110.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1361.999938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.999938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.999938 (E_RNA)
where:
Base-Base interactions energy: -911.400
where: short stacking energy: -400.782
Base-Backbone interact. energy: -2.823
local terms energy: -447.777851
where:
bonds (distance) C4'-P energy: -93.320
bonds (distance) P-C4' energy: -108.549
flat angles C4'-P-C4' energy: -98.305
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -90.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1292.613701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.613701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.613701 (E_RNA)
where:
Base-Base interactions energy: -839.652
where: short stacking energy: -371.670
Base-Backbone interact. energy: 0.538
local terms energy: -453.500364
where:
bonds (distance) C4'-P energy: -115.273
bonds (distance) P-C4' energy: -105.946
flat angles C4'-P-C4' energy: -103.820
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: -69.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -868.126637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.126637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.126637 (E_RNA)
where:
Base-Base interactions energy: -492.169
where: short stacking energy: -251.685
Base-Backbone interact. energy: -0.939
local terms energy: -375.018679
where:
bonds (distance) C4'-P energy: -79.937
bonds (distance) P-C4' energy: -99.209
flat angles C4'-P-C4' energy: -104.911
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -39.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -598.337731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.337731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.337731 (E_RNA)
where:
Base-Base interactions energy: -291.769
where: short stacking energy: -179.934
Base-Backbone interact. energy: 2.149
local terms energy: -308.718016
where:
bonds (distance) C4'-P energy: -95.095
bonds (distance) P-C4' energy: -103.779
flat angles C4'-P-C4' energy: -82.428
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: 0.983
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2047.787664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.787664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.787664 (E_RNA)
where:
Base-Base interactions energy: -1415.793
where: short stacking energy: -564.083
Base-Backbone interact. energy: -1.836
local terms energy: -630.158277
where:
bonds (distance) C4'-P energy: -120.983
bonds (distance) P-C4' energy: -116.585
flat angles C4'-P-C4' energy: -140.560
flat angles P-C4'-P energy: -87.760
tors. eta vs tors. theta energy: -164.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1975.269514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.269514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.269514 (E_RNA)
where:
Base-Base interactions energy: -1383.758
where: short stacking energy: -557.455
Base-Backbone interact. energy: -2.936
local terms energy: -588.575245
where:
bonds (distance) C4'-P energy: -109.618
bonds (distance) P-C4' energy: -116.342
flat angles C4'-P-C4' energy: -126.972
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -161.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1911.425824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.425824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.425824 (E_RNA)
where:
Base-Base interactions energy: -1320.539
where: short stacking energy: -559.096
Base-Backbone interact. energy: -3.051
local terms energy: -587.835327
where:
bonds (distance) C4'-P energy: -113.097
bonds (distance) P-C4' energy: -99.254
flat angles C4'-P-C4' energy: -135.882
flat angles P-C4'-P energy: -80.845
tors. eta vs tors. theta energy: -158.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1716.069573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.069573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.069573 (E_RNA)
where:
Base-Base interactions energy: -1173.813
where: short stacking energy: -473.621
Base-Backbone interact. energy: 2.384
local terms energy: -544.640195
where:
bonds (distance) C4'-P energy: -107.995
bonds (distance) P-C4' energy: -102.614
flat angles C4'-P-C4' energy: -118.653
flat angles P-C4'-P energy: -85.861
tors. eta vs tors. theta energy: -129.516
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: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1625.413772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.413772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.413772 (E_RNA)
where:
Base-Base interactions energy: -1106.876
where: short stacking energy: -480.984
Base-Backbone interact. energy: -0.370
local terms energy: -518.167860
where:
bonds (distance) C4'-P energy: -97.197
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -134.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1491.213023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.213023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.213023 (E_RNA)
where:
Base-Base interactions energy: -1001.038
where: short stacking energy: -456.546
Base-Backbone interact. energy: -0.279
local terms energy: -489.895582
where:
bonds (distance) C4'-P energy: -95.985
bonds (distance) P-C4' energy: -100.082
flat angles C4'-P-C4' energy: -102.119
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -122.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1383.266090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.266090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.266090 (E_RNA)
where:
Base-Base interactions energy: -909.073
where: short stacking energy: -426.538
Base-Backbone interact. energy: -0.861
local terms energy: -473.332074
where:
bonds (distance) C4'-P energy: -93.380
bonds (distance) P-C4' energy: -104.394
flat angles C4'-P-C4' energy: -110.961
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -101.037
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: 301
Temperature: 1.250000
Total energy: -1232.491836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.491836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.491836 (E_RNA)
where:
Base-Base interactions energy: -789.738
where: short stacking energy: -353.898
Base-Backbone interact. energy: -0.507
local terms energy: -442.246449
where:
bonds (distance) C4'-P energy: -93.380
bonds (distance) P-C4' energy: -106.398
flat angles C4'-P-C4' energy: -106.453
flat angles P-C4'-P energy: -61.881
tors. eta vs tors. theta energy: -74.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -874.673988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.673988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.673988 (E_RNA)
where:
Base-Base interactions energy: -494.351
where: short stacking energy: -253.125
Base-Backbone interact. energy: -0.406
local terms energy: -379.916455
where:
bonds (distance) C4'-P energy: -103.938
bonds (distance) P-C4' energy: -94.650
flat angles C4'-P-C4' energy: -89.588
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -45.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -612.041059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.041059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.041059 (E_RNA)
where:
Base-Base interactions energy: -309.638
where: short stacking energy: -169.366
Base-Backbone interact. energy: 2.215
local terms energy: -304.617762
where:
bonds (distance) C4'-P energy: -90.072
bonds (distance) P-C4' energy: -91.254
flat angles C4'-P-C4' energy: -91.173
flat angles P-C4'-P energy: -49.534
tors. eta vs tors. theta energy: 17.415
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2053.295150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.295150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.295150 (E_RNA)
where:
Base-Base interactions energy: -1424.749
where: short stacking energy: -589.598
Base-Backbone interact. energy: -4.191
local terms energy: -624.355790
where:
bonds (distance) C4'-P energy: -107.933
bonds (distance) P-C4' energy: -116.793
flat angles C4'-P-C4' energy: -138.960
flat angles P-C4'-P energy: -95.347
tors. eta vs tors. theta energy: -165.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1977.217522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.217522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.217522 (E_RNA)
where:
Base-Base interactions energy: -1376.648
where: short stacking energy: -556.986
Base-Backbone interact. energy: -2.454
local terms energy: -598.115078
where:
bonds (distance) C4'-P energy: -118.200
bonds (distance) P-C4' energy: -103.162
flat angles C4'-P-C4' energy: -127.072
flat angles P-C4'-P energy: -95.391
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: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1897.570453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.570453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.570453 (E_RNA)
where:
Base-Base interactions energy: -1319.943
where: short stacking energy: -543.897
Base-Backbone interact. energy: 1.534
local terms energy: -579.160876
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -104.427
flat angles C4'-P-C4' energy: -125.228
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -148.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1660.775813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.775813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.775813 (E_RNA)
where:
Base-Base interactions energy: -1110.115
where: short stacking energy: -486.934
Base-Backbone interact. energy: -2.579
local terms energy: -548.081317
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -110.520
flat angles C4'-P-C4' energy: -131.162
flat angles P-C4'-P energy: -84.149
tors. eta vs tors. theta energy: -131.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1632.391724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.391724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.391724 (E_RNA)
where:
Base-Base interactions energy: -1126.536
where: short stacking energy: -457.716
Base-Backbone interact. energy: -5.170
local terms energy: -500.686166
where:
bonds (distance) C4'-P energy: -93.478
bonds (distance) P-C4' energy: -108.095
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -70.329
tors. eta vs tors. theta energy: -108.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1452.711408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.711408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.711408 (E_RNA)
where:
Base-Base interactions energy: -963.411
where: short stacking energy: -450.091
Base-Backbone interact. energy: -1.166
local terms energy: -488.134541
where:
bonds (distance) C4'-P energy: -105.210
bonds (distance) P-C4' energy: -110.560
flat angles C4'-P-C4' energy: -103.636
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -112.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1401.062263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.062263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.062263 (E_RNA)
where:
Base-Base interactions energy: -928.303
where: short stacking energy: -425.110
Base-Backbone interact. energy: -1.193
local terms energy: -471.566120
where:
bonds (distance) C4'-P energy: -90.574
bonds (distance) P-C4' energy: -94.707
flat angles C4'-P-C4' energy: -107.297
flat angles P-C4'-P energy: -72.003
tors. eta vs tors. theta energy: -106.985
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: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1252.416513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.416513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.416513 (E_RNA)
where:
Base-Base interactions energy: -835.595
where: short stacking energy: -370.407
Base-Backbone interact. energy: -3.131
local terms energy: -413.689911
where:
bonds (distance) C4'-P energy: -89.423
bonds (distance) P-C4' energy: -85.607
flat angles C4'-P-C4' energy: -102.343
flat angles P-C4'-P energy: -59.830
tors. eta vs tors. theta energy: -76.487
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: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -845.669793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.669793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.669793 (E_RNA)
where:
Base-Base interactions energy: -502.390
where: short stacking energy: -239.847
Base-Backbone interact. energy: 2.848
local terms energy: -346.128005
where:
bonds (distance) C4'-P energy: -85.864
bonds (distance) P-C4' energy: -103.934
flat angles C4'-P-C4' energy: -97.734
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -19.673
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: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -629.577457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.577457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.577457 (E_RNA)
where:
Base-Base interactions energy: -319.414
where: short stacking energy: -196.016
Base-Backbone interact. energy: -0.642
local terms energy: -309.521385
where:
bonds (distance) C4'-P energy: -84.131
bonds (distance) P-C4' energy: -89.102
flat angles C4'-P-C4' energy: -98.491
flat angles P-C4'-P energy: -35.802
tors. eta vs tors. theta energy: -1.996
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2072.817897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.817897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.817897 (E_RNA)
where:
Base-Base interactions energy: -1438.037
where: short stacking energy: -575.673
Base-Backbone interact. energy: -3.002
local terms energy: -631.779120
where:
bonds (distance) C4'-P energy: -124.488
bonds (distance) P-C4' energy: -119.625
flat angles C4'-P-C4' energy: -129.896
flat angles P-C4'-P energy: -89.392
tors. eta vs tors. theta energy: -168.378
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: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1967.789303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.789303 (E_RNA)
where:
Base-Base interactions energy: -1377.183
where: short stacking energy: -561.985
Base-Backbone interact. energy: -4.955
local terms energy: -585.650841
where:
bonds (distance) C4'-P energy: -105.457
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -121.581
flat angles P-C4'-P energy: -91.190
tors. eta vs tors. theta energy: -150.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1911.211805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.211805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.211805 (E_RNA)
where:
Base-Base interactions energy: -1305.928
where: short stacking energy: -561.423
Base-Backbone interact. energy: -0.021
local terms energy: -605.262606
where:
bonds (distance) C4'-P energy: -111.698
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -142.063
flat angles P-C4'-P energy: -84.407
tors. eta vs tors. theta energy: -154.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1703.001394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.001394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.001394 (E_RNA)
where:
Base-Base interactions energy: -1149.750
where: short stacking energy: -498.547
Base-Backbone interact. energy: -2.307
local terms energy: -550.945101
where:
bonds (distance) C4'-P energy: -102.383
bonds (distance) P-C4' energy: -105.544
flat angles C4'-P-C4' energy: -131.876
flat angles P-C4'-P energy: -78.899
tors. eta vs tors. theta energy: -132.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1609.487596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.487596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.487596 (E_RNA)
where:
Base-Base interactions energy: -1069.073
where: short stacking energy: -457.603
Base-Backbone interact. energy: 0.987
local terms energy: -541.401279
where:
bonds (distance) C4'-P energy: -109.496
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -117.320
flat angles P-C4'-P energy: -88.861
tors. eta vs tors. theta energy: -123.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1453.543609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.543609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.543609 (E_RNA)
where:
Base-Base interactions energy: -947.182
where: short stacking energy: -441.499
Base-Backbone interact. energy: -1.627
local terms energy: -504.734132
where:
bonds (distance) C4'-P energy: -99.725
bonds (distance) P-C4' energy: -106.951
flat angles C4'-P-C4' energy: -115.750
flat angles P-C4'-P energy: -77.790
tors. eta vs tors. theta energy: -104.518
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: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1389.363706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.363706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.363706 (E_RNA)
where:
Base-Base interactions energy: -911.512
where: short stacking energy: -408.297
Base-Backbone interact. energy: 0.742
local terms energy: -478.592833
where:
bonds (distance) C4'-P energy: -87.361
bonds (distance) P-C4' energy: -104.332
flat angles C4'-P-C4' energy: -118.405
flat angles P-C4'-P energy: -65.817
tors. eta vs tors. theta energy: -102.678
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: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1253.904457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.904457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.904457 (E_RNA)
where:
Base-Base interactions energy: -813.902
where: short stacking energy: -369.856
Base-Backbone interact. energy: -4.207
local terms energy: -435.796233
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -100.962
flat angles C4'-P-C4' energy: -97.592
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -76.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -884.523194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.523194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.523194 (E_RNA)
where:
Base-Base interactions energy: -521.095
where: short stacking energy: -271.160
Base-Backbone interact. energy: -0.666
local terms energy: -362.761705
where:
bonds (distance) C4'-P energy: -85.923
bonds (distance) P-C4' energy: -98.198
flat angles C4'-P-C4' energy: -89.882
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: -34.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -589.199347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.199347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.199347 (E_RNA)
where:
Base-Base interactions energy: -271.511
where: short stacking energy: -162.266
Base-Backbone interact. energy: -0.865
local terms energy: -316.822751
where:
bonds (distance) C4'-P energy: -101.414
bonds (distance) P-C4' energy: -97.441
flat angles C4'-P-C4' energy: -84.392
flat angles P-C4'-P energy: -45.549
tors. eta vs tors. theta energy: 11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2091.410648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.410648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.410648 (E_RNA)
where:
Base-Base interactions energy: -1466.399
where: short stacking energy: -564.581
Base-Backbone interact. energy: -1.746
local terms energy: -623.265637
where:
bonds (distance) C4'-P energy: -114.664
bonds (distance) P-C4' energy: -119.247
flat angles C4'-P-C4' energy: -131.765
flat angles P-C4'-P energy: -92.536
tors. eta vs tors. theta energy: -165.054
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1999.847977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.847977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.847977 (E_RNA)
where:
Base-Base interactions energy: -1406.811
where: short stacking energy: -543.396
Base-Backbone interact. energy: -0.357
local terms energy: -592.679806
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -129.272
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -153.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1924.950254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.950254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.950254 (E_RNA)
where:
Base-Base interactions energy: -1325.395
where: short stacking energy: -547.979
Base-Backbone interact. energy: -1.774
local terms energy: -597.780939
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -120.208
flat angles C4'-P-C4' energy: -120.610
flat angles P-C4'-P energy: -82.535
tors. eta vs tors. theta energy: -160.059
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: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1773.813040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.813040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.813040 (E_RNA)
where:
Base-Base interactions energy: -1206.579
where: short stacking energy: -492.748
Base-Backbone interact. energy: -2.689
local terms energy: -564.544487
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -120.979
flat angles C4'-P-C4' energy: -127.605
flat angles P-C4'-P energy: -68.525
tors. eta vs tors. theta energy: -138.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1697.312502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.312502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.312502 (E_RNA)
where:
Base-Base interactions energy: -1152.572
where: short stacking energy: -494.281
Base-Backbone interact. energy: -5.599
local terms energy: -539.141792
where:
bonds (distance) C4'-P energy: -100.187
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -116.226
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -142.754
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1450.181420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.181420 (E_RNA)
where:
Base-Base interactions energy: -943.784
where: short stacking energy: -438.353
Base-Backbone interact. energy: -3.756
local terms energy: -502.641721
where:
bonds (distance) C4'-P energy: -95.593
bonds (distance) P-C4' energy: -115.791
flat angles C4'-P-C4' energy: -121.346
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -114.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1392.990252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.990252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.990252 (E_RNA)
where:
Base-Base interactions energy: -902.433
where: short stacking energy: -396.621
Base-Backbone interact. energy: -2.480
local terms energy: -488.076848
where:
bonds (distance) C4'-P energy: -84.113
bonds (distance) P-C4' energy: -109.430
flat angles C4'-P-C4' energy: -111.726
flat angles P-C4'-P energy: -76.483
tors. eta vs tors. theta energy: -106.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1255.188922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.188922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.188922 (E_RNA)
where:
Base-Base interactions energy: -790.730
where: short stacking energy: -348.510
Base-Backbone interact. energy: -1.668
local terms energy: -462.790397
where:
bonds (distance) C4'-P energy: -105.102
bonds (distance) P-C4' energy: -110.388
flat angles C4'-P-C4' energy: -101.288
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -71.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -895.416298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.416298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.416298 (E_RNA)
where:
Base-Base interactions energy: -538.227
where: short stacking energy: -257.668
Base-Backbone interact. energy: -3.807
local terms energy: -353.382392
where:
bonds (distance) C4'-P energy: -84.638
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -85.752
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -546.234793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.234793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.234793 (E_RNA)
where:
Base-Base interactions energy: -213.373
where: short stacking energy: -141.328
Base-Backbone interact. energy: 1.123
local terms energy: -333.985056
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -93.261
flat angles C4'-P-C4' energy: -77.166
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: 2.629
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2087.990210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.990210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.990210 (E_RNA)
where:
Base-Base interactions energy: -1466.308
where: short stacking energy: -588.118
Base-Backbone interact. energy: -2.622
local terms energy: -619.059690
where:
bonds (distance) C4'-P energy: -131.516
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -128.630
flat angles P-C4'-P energy: -100.171
tors. eta vs tors. theta energy: -162.650
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1974.149538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.149538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.149538 (E_RNA)
where:
Base-Base interactions energy: -1343.478
where: short stacking energy: -559.768
Base-Backbone interact. energy: -1.185
local terms energy: -629.486975
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -112.661
flat angles C4'-P-C4' energy: -123.413
flat angles P-C4'-P energy: -106.073
tors. eta vs tors. theta energy: -166.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1940.127266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.127266 (E_RNA)
where:
Base-Base interactions energy: -1360.420
where: short stacking energy: -551.764
Base-Backbone interact. energy: -3.451
local terms energy: -576.255794
where:
bonds (distance) C4'-P energy: -119.166
bonds (distance) P-C4' energy: -99.924
flat angles C4'-P-C4' energy: -117.117
flat angles P-C4'-P energy: -84.523
tors. eta vs tors. theta energy: -155.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1754.451023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.451023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.451023 (E_RNA)
where:
Base-Base interactions energy: -1211.600
where: short stacking energy: -499.459
Base-Backbone interact. energy: -0.188
local terms energy: -542.663179
where:
bonds (distance) C4'-P energy: -96.238
bonds (distance) P-C4' energy: -109.662
flat angles C4'-P-C4' energy: -120.632
flat angles P-C4'-P energy: -75.455
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: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1689.398523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.398523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.398523 (E_RNA)
where:
Base-Base interactions energy: -1124.773
where: short stacking energy: -468.244
Base-Backbone interact. energy: -3.676
local terms energy: -560.949352
where:
bonds (distance) C4'-P energy: -109.960
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -130.658
flat angles P-C4'-P energy: -74.004
tors. eta vs tors. theta energy: -137.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1445.313334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.313334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.313334 (E_RNA)
where:
Base-Base interactions energy: -983.649
where: short stacking energy: -438.136
Base-Backbone interact. energy: 2.231
local terms energy: -463.895411
where:
bonds (distance) C4'-P energy: -93.701
bonds (distance) P-C4' energy: -98.858
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -66.917
tors. eta vs tors. theta energy: -96.765
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: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1416.569228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.569228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.569228 (E_RNA)
where:
Base-Base interactions energy: -906.230
where: short stacking energy: -410.427
Base-Backbone interact. energy: -2.558
local terms energy: -507.780851
where:
bonds (distance) C4'-P energy: -109.085
bonds (distance) P-C4' energy: -119.352
flat angles C4'-P-C4' energy: -98.770
flat angles P-C4'-P energy: -81.175
tors. eta vs tors. theta energy: -99.398
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: 305
Temperature: 1.250000
Total energy: -1254.271437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.271437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.271437 (E_RNA)
where:
Base-Base interactions energy: -807.329
where: short stacking energy: -352.561
Base-Backbone interact. energy: 0.799
local terms energy: -447.741177
where:
bonds (distance) C4'-P energy: -112.289
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -107.273
flat angles P-C4'-P energy: -47.297
tors. eta vs tors. theta energy: -74.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -878.220925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.220925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.220925 (E_RNA)
where:
Base-Base interactions energy: -518.546
where: short stacking energy: -258.142
Base-Backbone interact. energy: 2.000
local terms energy: -361.675207
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -95.067
flat angles C4'-P-C4' energy: -95.172
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -33.912
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: 305
Temperature: 1.350000
Total energy: -648.869789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.869789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.869789 (E_RNA)
where:
Base-Base interactions energy: -345.078
where: short stacking energy: -218.260
Base-Backbone interact. energy: 1.004
local terms energy: -304.795536
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -110.630
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -17.212
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2095.995439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.995439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.995439 (E_RNA)
where:
Base-Base interactions energy: -1472.577
where: short stacking energy: -570.581
Base-Backbone interact. energy: -3.787
local terms energy: -619.631849
where:
bonds (distance) C4'-P energy: -102.546
bonds (distance) P-C4' energy: -126.348
flat angles C4'-P-C4' energy: -135.350
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -170.672
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: 306
Temperature: 0.950000
Total energy: -1991.155951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.155951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.155951 (E_RNA)
where:
Base-Base interactions energy: -1381.279
where: short stacking energy: -562.093
Base-Backbone interact. energy: -3.476
local terms energy: -606.400931
where:
bonds (distance) C4'-P energy: -104.365
bonds (distance) P-C4' energy: -114.154
flat angles C4'-P-C4' energy: -134.620
flat angles P-C4'-P energy: -90.738
tors. eta vs tors. theta energy: -162.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1897.683829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.683829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.683829 (E_RNA)
where:
Base-Base interactions energy: -1344.794
where: short stacking energy: -529.659
Base-Backbone interact. energy: -1.149
local terms energy: -551.741166
where:
bonds (distance) C4'-P energy: -114.166
bonds (distance) P-C4' energy: -102.227
flat angles C4'-P-C4' energy: -122.998
flat angles P-C4'-P energy: -77.709
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: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1712.849073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.849073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.849073 (E_RNA)
where:
Base-Base interactions energy: -1153.506
where: short stacking energy: -472.374
Base-Backbone interact. energy: -0.043
local terms energy: -559.299596
where:
bonds (distance) C4'-P energy: -120.454
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -127.917
flat angles P-C4'-P energy: -71.205
tors. eta vs tors. theta energy: -123.333
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1702.516556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.516556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.516556 (E_RNA)
where:
Base-Base interactions energy: -1165.285
where: short stacking energy: -477.540
Base-Backbone interact. energy: -3.810
local terms energy: -533.421585
where:
bonds (distance) C4'-P energy: -93.968
bonds (distance) P-C4' energy: -108.735
flat angles C4'-P-C4' energy: -125.996
flat angles P-C4'-P energy: -67.905
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: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1473.384051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.384051 (E_RNA)
where:
Base-Base interactions energy: -999.744
where: short stacking energy: -480.713
Base-Backbone interact. energy: -0.851
local terms energy: -472.789477
where:
bonds (distance) C4'-P energy: -93.482
bonds (distance) P-C4' energy: -111.068
flat angles C4'-P-C4' energy: -97.520
flat angles P-C4'-P energy: -51.286
tors. eta vs tors. theta energy: -119.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1394.890334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.890334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.890334 (E_RNA)
where:
Base-Base interactions energy: -920.060
where: short stacking energy: -398.072
Base-Backbone interact. energy: 0.762
local terms energy: -475.593031
where:
bonds (distance) C4'-P energy: -99.503
bonds (distance) P-C4' energy: -115.328
flat angles C4'-P-C4' energy: -103.515
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -93.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1290.105071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.105071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.105071 (E_RNA)
where:
Base-Base interactions energy: -847.736
where: short stacking energy: -389.416
Base-Backbone interact. energy: -0.396
local terms energy: -441.973513
where:
bonds (distance) C4'-P energy: -102.427
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -73.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -872.591989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.591989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.591989 (E_RNA)
where:
Base-Base interactions energy: -493.696
where: short stacking energy: -256.175
Base-Backbone interact. energy: 1.778
local terms energy: -380.674053
where:
bonds (distance) C4'-P energy: -95.844
bonds (distance) P-C4' energy: -107.494
flat angles C4'-P-C4' energy: -102.978
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -24.497
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: 306
Temperature: 1.350000
Total energy: -582.292486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.292486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.292486 (E_RNA)
where:
Base-Base interactions energy: -294.212
where: short stacking energy: -158.953
Base-Backbone interact. energy: 1.576
local terms energy: -289.656612
where:
bonds (distance) C4'-P energy: -80.091
bonds (distance) P-C4' energy: -75.000
flat angles C4'-P-C4' energy: -94.354
flat angles P-C4'-P energy: -54.097
tors. eta vs tors. theta energy: 13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2126.841257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.841257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.841257 (E_RNA)
where:
Base-Base interactions energy: -1497.831
where: short stacking energy: -600.652
Base-Backbone interact. energy: -2.592
local terms energy: -626.418578
where:
bonds (distance) C4'-P energy: -122.424
bonds (distance) P-C4' energy: -110.593
flat angles C4'-P-C4' energy: -133.346
flat angles P-C4'-P energy: -83.911
tors. eta vs tors. theta energy: -176.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1976.196284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.196284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.196284 (E_RNA)
where:
Base-Base interactions energy: -1359.176
where: short stacking energy: -539.361
Base-Backbone interact. energy: -0.475
local terms energy: -616.545198
where:
bonds (distance) C4'-P energy: -113.308
bonds (distance) P-C4' energy: -125.011
flat angles C4'-P-C4' energy: -130.855
flat angles P-C4'-P energy: -88.352
tors. eta vs tors. theta energy: -159.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1916.318707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.318707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.318707 (E_RNA)
where:
Base-Base interactions energy: -1330.068
where: short stacking energy: -540.161
Base-Backbone interact. energy: -3.267
local terms energy: -582.983934
where:
bonds (distance) C4'-P energy: -117.685
bonds (distance) P-C4' energy: -99.174
flat angles C4'-P-C4' energy: -138.913
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -144.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1716.093508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.093508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.093508 (E_RNA)
where:
Base-Base interactions energy: -1191.078
where: short stacking energy: -480.011
Base-Backbone interact. energy: -1.162
local terms energy: -523.853291
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -108.599
flat angles C4'-P-C4' energy: -114.527
flat angles P-C4'-P energy: -65.377
tors. eta vs tors. theta energy: -124.742
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: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1640.740832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.740832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.740832 (E_RNA)
where:
Base-Base interactions energy: -1108.778
where: short stacking energy: -467.399
Base-Backbone interact. energy: 0.708
local terms energy: -532.670757
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -123.906
flat angles C4'-P-C4' energy: -109.417
flat angles P-C4'-P energy: -82.338
tors. eta vs tors. theta energy: -124.175
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: 307
Temperature: 1.150000
Total energy: -1583.313213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.313213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.313213 (E_RNA)
where:
Base-Base interactions energy: -1089.847
where: short stacking energy: -465.317
Base-Backbone interact. energy: 3.745
local terms energy: -497.211778
where:
bonds (distance) C4'-P energy: -86.582
bonds (distance) P-C4' energy: -114.736
flat angles C4'-P-C4' energy: -105.334
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -129.414
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: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1397.763831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.763831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.763831 (E_RNA)
where:
Base-Base interactions energy: -918.297
where: short stacking energy: -411.698
Base-Backbone interact. energy: 0.177
local terms energy: -479.643745
where:
bonds (distance) C4'-P energy: -95.268
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -112.301
flat angles P-C4'-P energy: -68.693
tors. eta vs tors. theta energy: -100.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1253.797903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.797903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.797903 (E_RNA)
where:
Base-Base interactions energy: -823.456
where: short stacking energy: -373.438
Base-Backbone interact. energy: -0.187
local terms energy: -430.154387
where:
bonds (distance) C4'-P energy: -87.208
bonds (distance) P-C4' energy: -102.969
flat angles C4'-P-C4' energy: -97.668
flat angles P-C4'-P energy: -62.059
tors. eta vs tors. theta energy: -80.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -896.341918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.341918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.341918 (E_RNA)
where:
Base-Base interactions energy: -570.056
where: short stacking energy: -259.944
Base-Backbone interact. energy: 2.236
local terms energy: -328.521380
where:
bonds (distance) C4'-P energy: -82.765
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -89.562
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -20.084
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: 307
Temperature: 1.350000
Total energy: -573.882639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.882639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.882639 (E_RNA)
where:
Base-Base interactions energy: -266.289
where: short stacking energy: -172.036
Base-Backbone interact. energy: 1.711
local terms energy: -309.305222
where:
bonds (distance) C4'-P energy: -90.662
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -88.508
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: 16.236
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: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2101.663221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.663221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.663221 (E_RNA)
where:
Base-Base interactions energy: -1464.775
where: short stacking energy: -583.933
Base-Backbone interact. energy: -3.944
local terms energy: -632.944197
where:
bonds (distance) C4'-P energy: -118.333
bonds (distance) P-C4' energy: -121.797
flat angles C4'-P-C4' energy: -127.017
flat angles P-C4'-P energy: -91.215
tors. eta vs tors. theta energy: -174.582
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: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2006.483394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.483394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.483394 (E_RNA)
where:
Base-Base interactions energy: -1420.018
where: short stacking energy: -585.204
Base-Backbone interact. energy: 1.653
local terms energy: -588.118728
where:
bonds (distance) C4'-P energy: -107.238
bonds (distance) P-C4' energy: -104.006
flat angles C4'-P-C4' energy: -126.338
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -161.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1897.027597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.027597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.027597 (E_RNA)
where:
Base-Base interactions energy: -1316.228
where: short stacking energy: -556.912
Base-Backbone interact. energy: -2.458
local terms energy: -578.341850
where:
bonds (distance) C4'-P energy: -106.183
bonds (distance) P-C4' energy: -110.252
flat angles C4'-P-C4' energy: -127.277
flat angles P-C4'-P energy: -78.519
tors. eta vs tors. theta energy: -156.111
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: 308
Temperature: 1.050000
Total energy: -1731.516259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.516259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.516259 (E_RNA)
where:
Base-Base interactions energy: -1183.883
where: short stacking energy: -477.034
Base-Backbone interact. energy: -3.641
local terms energy: -543.992149
where:
bonds (distance) C4'-P energy: -108.698
bonds (distance) P-C4' energy: -111.944
flat angles C4'-P-C4' energy: -118.080
flat angles P-C4'-P energy: -65.868
tors. eta vs tors. theta energy: -139.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1624.996798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.996798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.996798 (E_RNA)
where:
Base-Base interactions energy: -1101.816
where: short stacking energy: -463.734
Base-Backbone interact. energy: -3.359
local terms energy: -519.822307
where:
bonds (distance) C4'-P energy: -108.701
bonds (distance) P-C4' energy: -117.294
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -71.154
tors. eta vs tors. theta energy: -114.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1489.810433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.810433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.810433 (E_RNA)
where:
Base-Base interactions energy: -1005.569
where: short stacking energy: -443.929
Base-Backbone interact. energy: 0.461
local terms energy: -484.702312
where:
bonds (distance) C4'-P energy: -90.323
bonds (distance) P-C4' energy: -108.697
flat angles C4'-P-C4' energy: -114.178
flat angles P-C4'-P energy: -58.070
tors. eta vs tors. theta energy: -113.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1386.371745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.371745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.371745 (E_RNA)
where:
Base-Base interactions energy: -921.167
where: short stacking energy: -410.858
Base-Backbone interact. energy: -3.863
local terms energy: -461.341718
where:
bonds (distance) C4'-P energy: -98.775
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -59.416
tors. eta vs tors. theta energy: -99.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1360.204454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.204454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.204454 (E_RNA)
where:
Base-Base interactions energy: -889.417
where: short stacking energy: -389.772
Base-Backbone interact. energy: 0.411
local terms energy: -471.198091
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -99.206
flat angles C4'-P-C4' energy: -113.284
flat angles P-C4'-P energy: -67.960
tors. eta vs tors. theta energy: -88.781
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: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -913.354953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.354953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.354953 (E_RNA)
where:
Base-Base interactions energy: -542.937
where: short stacking energy: -247.385
Base-Backbone interact. energy: 0.784
local terms energy: -371.202354
where:
bonds (distance) C4'-P energy: -78.914
bonds (distance) P-C4' energy: -100.087
flat angles C4'-P-C4' energy: -93.525
flat angles P-C4'-P energy: -76.301
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -624.356298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.356298 (E_RNA)
where:
Base-Base interactions energy: -292.585
where: short stacking energy: -156.979
Base-Backbone interact. energy: 2.483
local terms energy: -334.253938
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -106.913
flat angles C4'-P-C4' energy: -81.992
flat angles P-C4'-P energy: -62.522
tors. eta vs tors. theta energy: 11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2094.842600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.842600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.842600 (E_RNA)
where:
Base-Base interactions energy: -1467.292
where: short stacking energy: -577.105
Base-Backbone interact. energy: -0.912
local terms energy: -626.638839
where:
bonds (distance) C4'-P energy: -125.983
bonds (distance) P-C4' energy: -116.251
flat angles C4'-P-C4' energy: -130.957
flat angles P-C4'-P energy: -81.859
tors. eta vs tors. theta energy: -171.588
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: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1966.729774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.729774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.729774 (E_RNA)
where:
Base-Base interactions energy: -1382.663
where: short stacking energy: -566.865
Base-Backbone interact. energy: -2.162
local terms energy: -581.904802
where:
bonds (distance) C4'-P energy: -105.893
bonds (distance) P-C4' energy: -115.403
flat angles C4'-P-C4' energy: -119.036
flat angles P-C4'-P energy: -80.793
tors. eta vs tors. theta energy: -160.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1932.940716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.940716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.940716 (E_RNA)
where:
Base-Base interactions energy: -1337.422
where: short stacking energy: -563.803
Base-Backbone interact. energy: 2.196
local terms energy: -597.714569
where:
bonds (distance) C4'-P energy: -105.927
bonds (distance) P-C4' energy: -102.418
flat angles C4'-P-C4' energy: -126.135
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -173.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1724.166811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.166811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.166811 (E_RNA)
where:
Base-Base interactions energy: -1191.839
where: short stacking energy: -537.822
Base-Backbone interact. energy: 0.911
local terms energy: -533.239100
where:
bonds (distance) C4'-P energy: -101.327
bonds (distance) P-C4' energy: -77.267
flat angles C4'-P-C4' energy: -118.660
flat angles P-C4'-P energy: -80.259
tors. eta vs tors. theta energy: -155.726
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1590.848829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.848829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.848829 (E_RNA)
where:
Base-Base interactions energy: -1066.373
where: short stacking energy: -447.856
Base-Backbone interact. energy: -0.592
local terms energy: -523.883405
where:
bonds (distance) C4'-P energy: -115.779
bonds (distance) P-C4' energy: -104.096
flat angles C4'-P-C4' energy: -114.138
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -115.515
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: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1467.412827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.412827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.412827 (E_RNA)
where:
Base-Base interactions energy: -975.581
where: short stacking energy: -418.181
Base-Backbone interact. energy: -2.431
local terms energy: -489.401214
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -105.663
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -97.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1395.835376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.835376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.835376 (E_RNA)
where:
Base-Base interactions energy: -904.195
where: short stacking energy: -394.741
Base-Backbone interact. energy: 0.344
local terms energy: -491.984392
where:
bonds (distance) C4'-P energy: -114.989
bonds (distance) P-C4' energy: -112.591
flat angles C4'-P-C4' energy: -107.309
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -98.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1275.350258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.350258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.350258 (E_RNA)
where:
Base-Base interactions energy: -846.878
where: short stacking energy: -369.630
Base-Backbone interact. energy: 0.832
local terms energy: -429.304238
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -106.004
flat angles C4'-P-C4' energy: -102.854
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -70.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -938.070217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.070217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.070217 (E_RNA)
where:
Base-Base interactions energy: -573.212
where: short stacking energy: -264.629
Base-Backbone interact. energy: -0.202
local terms energy: -364.656341
where:
bonds (distance) C4'-P energy: -93.487
bonds (distance) P-C4' energy: -106.375
flat angles C4'-P-C4' energy: -90.881
flat angles P-C4'-P energy: -43.448
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -635.592505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.592505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.592505 (E_RNA)
where:
Base-Base interactions energy: -330.253
where: short stacking energy: -189.133
Base-Backbone interact. energy: 4.785
local terms energy: -310.124946
where:
bonds (distance) C4'-P energy: -80.571
bonds (distance) P-C4' energy: -96.004
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2087.057032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.057032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.057032 (E_RNA)
where:
Base-Base interactions energy: -1467.209
where: short stacking energy: -594.251
Base-Backbone interact. energy: -1.630
local terms energy: -618.217598
where:
bonds (distance) C4'-P energy: -114.829
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -135.990
flat angles P-C4'-P energy: -73.474
tors. eta vs tors. theta energy: -171.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2007.171162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.171162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.171162 (E_RNA)
where:
Base-Base interactions energy: -1391.125
where: short stacking energy: -569.976
Base-Backbone interact. energy: -4.198
local terms energy: -611.847975
where:
bonds (distance) C4'-P energy: -107.794
bonds (distance) P-C4' energy: -118.900
flat angles C4'-P-C4' energy: -130.126
flat angles P-C4'-P energy: -90.393
tors. eta vs tors. theta energy: -164.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1890.037000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.037000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.037000 (E_RNA)
where:
Base-Base interactions energy: -1309.301
where: short stacking energy: -514.151
Base-Backbone interact. energy: -0.968
local terms energy: -579.767701
where:
bonds (distance) C4'-P energy: -113.355
bonds (distance) P-C4' energy: -105.557
flat angles C4'-P-C4' energy: -128.345
flat angles P-C4'-P energy: -87.624
tors. eta vs tors. theta energy: -144.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1772.560407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.560407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.560407 (E_RNA)
where:
Base-Base interactions energy: -1222.342
where: short stacking energy: -496.113
Base-Backbone interact. energy: -1.658
local terms energy: -548.560876
where:
bonds (distance) C4'-P energy: -100.594
bonds (distance) P-C4' energy: -103.134
flat angles C4'-P-C4' energy: -125.902
flat angles P-C4'-P energy: -82.307
tors. eta vs tors. theta energy: -136.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1620.745599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.745599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.745599 (E_RNA)
where:
Base-Base interactions energy: -1097.893
where: short stacking energy: -470.687
Base-Backbone interact. energy: -6.803
local terms energy: -516.049729
where:
bonds (distance) C4'-P energy: -100.788
bonds (distance) P-C4' energy: -122.085
flat angles C4'-P-C4' energy: -102.692
flat angles P-C4'-P energy: -78.620
tors. eta vs tors. theta energy: -111.864
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: 310
Temperature: 1.150000
Total energy: -1463.291146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.291146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.291146 (E_RNA)
where:
Base-Base interactions energy: -965.002
where: short stacking energy: -432.810
Base-Backbone interact. energy: -1.446
local terms energy: -496.842727
where:
bonds (distance) C4'-P energy: -104.463
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -109.007
flat angles P-C4'-P energy: -79.967
tors. eta vs tors. theta energy: -104.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1409.418299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.418299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.418299 (E_RNA)
where:
Base-Base interactions energy: -904.825
where: short stacking energy: -419.643
Base-Backbone interact. energy: 0.704
local terms energy: -505.297749
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -106.654
flat angles C4'-P-C4' energy: -108.956
flat angles P-C4'-P energy: -68.645
tors. eta vs tors. theta energy: -119.937
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: 310
Temperature: 1.250000
Total energy: -1279.562674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.562674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.562674 (E_RNA)
where:
Base-Base interactions energy: -833.149
where: short stacking energy: -391.572
Base-Backbone interact. energy: -1.089
local terms energy: -445.324605
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -96.335
flat angles C4'-P-C4' energy: -112.854
flat angles P-C4'-P energy: -62.206
tors. eta vs tors. theta energy: -88.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -941.425314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.425314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.425314 (E_RNA)
where:
Base-Base interactions energy: -567.753
where: short stacking energy: -263.770
Base-Backbone interact. energy: 3.511
local terms energy: -377.182776
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -94.195
flat angles C4'-P-C4' energy: -84.865
flat angles P-C4'-P energy: -69.197
tors. eta vs tors. theta energy: -40.746
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: 310
Temperature: 1.350000
Total energy: -634.939053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.939053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.939053 (E_RNA)
where:
Base-Base interactions energy: -321.472
where: short stacking energy: -178.269
Base-Backbone interact. energy: -2.716
local terms energy: -310.751391
where:
bonds (distance) C4'-P energy: -90.904
bonds (distance) P-C4' energy: -100.956
flat angles C4'-P-C4' energy: -79.101
flat angles P-C4'-P energy: -51.038
tors. eta vs tors. theta energy: 11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2106.701873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.701873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.701873 (E_RNA)
where:
Base-Base interactions energy: -1467.249
where: short stacking energy: -588.804
Base-Backbone interact. energy: -3.872
local terms energy: -635.580229
where:
bonds (distance) C4'-P energy: -111.812
bonds (distance) P-C4' energy: -124.392
flat angles C4'-P-C4' energy: -135.130
flat angles P-C4'-P energy: -91.553
tors. eta vs tors. theta energy: -172.693
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1981.316964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.316964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.316964 (E_RNA)
where:
Base-Base interactions energy: -1380.765
where: short stacking energy: -555.777
Base-Backbone interact. energy: -1.183
local terms energy: -599.369505
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -126.092
flat angles C4'-P-C4' energy: -126.833
flat angles P-C4'-P energy: -84.355
tors. eta vs tors. theta energy: -156.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1884.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.163454 (E_RNA)
where:
Base-Base interactions energy: -1309.234
where: short stacking energy: -527.692
Base-Backbone interact. energy: -3.296
local terms energy: -571.632795
where:
bonds (distance) C4'-P energy: -101.484
bonds (distance) P-C4' energy: -104.495
flat angles C4'-P-C4' energy: -135.052
flat angles P-C4'-P energy: -81.715
tors. eta vs tors. theta energy: -148.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1728.581745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.581745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.581745 (E_RNA)
where:
Base-Base interactions energy: -1186.710
where: short stacking energy: -511.579
Base-Backbone interact. energy: -3.069
local terms energy: -538.802962
where:
bonds (distance) C4'-P energy: -105.734
bonds (distance) P-C4' energy: -100.826
flat angles C4'-P-C4' energy: -120.935
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -139.622
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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1599.679746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.679746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.679746 (E_RNA)
where:
Base-Base interactions energy: -1063.299
where: short stacking energy: -466.281
Base-Backbone interact. energy: -0.954
local terms energy: -535.427320
where:
bonds (distance) C4'-P energy: -105.255
bonds (distance) P-C4' energy: -109.949
flat angles C4'-P-C4' energy: -122.275
flat angles P-C4'-P energy: -70.996
tors. eta vs tors. theta energy: -126.953
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1474.322191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.322191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.322191 (E_RNA)
where:
Base-Base interactions energy: -977.610
where: short stacking energy: -416.627
Base-Backbone interact. energy: -1.209
local terms energy: -495.502957
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -105.514
flat angles C4'-P-C4' energy: -120.912
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -100.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1402.783899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.783899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.783899 (E_RNA)
where:
Base-Base interactions energy: -923.390
where: short stacking energy: -396.932
Base-Backbone interact. energy: 4.335
local terms energy: -483.729715
where:
bonds (distance) C4'-P energy: -108.863
bonds (distance) P-C4' energy: -95.106
flat angles C4'-P-C4' energy: -109.641
flat angles P-C4'-P energy: -68.892
tors. eta vs tors. theta energy: -101.228
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: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1289.821969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.821969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.821969 (E_RNA)
where:
Base-Base interactions energy: -810.351
where: short stacking energy: -387.343
Base-Backbone interact. energy: 0.803
local terms energy: -480.274045
where:
bonds (distance) C4'-P energy: -74.283
bonds (distance) P-C4' energy: -115.280
flat angles C4'-P-C4' energy: -130.148
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -96.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -946.750045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.750045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.750045 (E_RNA)
where:
Base-Base interactions energy: -561.983
where: short stacking energy: -273.427
Base-Backbone interact. energy: -0.952
local terms energy: -383.814661
where:
bonds (distance) C4'-P energy: -82.916
bonds (distance) P-C4' energy: -92.480
flat angles C4'-P-C4' energy: -104.719
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -47.269
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: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -556.839283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.839283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.839283 (E_RNA)
where:
Base-Base interactions energy: -253.800
where: short stacking energy: -139.561
Base-Backbone interact. energy: 0.927
local terms energy: -303.965745
where:
bonds (distance) C4'-P energy: -96.149
bonds (distance) P-C4' energy: -89.190
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -59.558
tors. eta vs tors. theta energy: 20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2099.001615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.001615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.001615 (E_RNA)
where:
Base-Base interactions energy: -1445.518
where: short stacking energy: -584.161
Base-Backbone interact. energy: 2.115
local terms energy: -655.598462
where:
bonds (distance) C4'-P energy: -119.155
bonds (distance) P-C4' energy: -128.676
flat angles C4'-P-C4' energy: -135.183
flat angles P-C4'-P energy: -96.009
tors. eta vs tors. theta energy: -176.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1947.492342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.492342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.492342 (E_RNA)
where:
Base-Base interactions energy: -1362.396
where: short stacking energy: -547.436
Base-Backbone interact. energy: 2.920
local terms energy: -588.015778
where:
bonds (distance) C4'-P energy: -118.544
bonds (distance) P-C4' energy: -99.618
flat angles C4'-P-C4' energy: -128.265
flat angles P-C4'-P energy: -79.556
tors. eta vs tors. theta energy: -162.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1900.690305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.690305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.690305 (E_RNA)
where:
Base-Base interactions energy: -1336.954
where: short stacking energy: -534.124
Base-Backbone interact. energy: 0.112
local terms energy: -563.848548
where:
bonds (distance) C4'-P energy: -102.936
bonds (distance) P-C4' energy: -108.107
flat angles C4'-P-C4' energy: -126.353
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -154.977
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: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1754.177081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.177081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.177081 (E_RNA)
where:
Base-Base interactions energy: -1187.178
where: short stacking energy: -499.012
Base-Backbone interact. energy: -5.337
local terms energy: -561.662122
where:
bonds (distance) C4'-P energy: -96.051
bonds (distance) P-C4' energy: -113.047
flat angles C4'-P-C4' energy: -132.013
flat angles P-C4'-P energy: -78.647
tors. eta vs tors. theta energy: -141.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1671.416545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.416545 (E_RNA)
where:
Base-Base interactions energy: -1117.346
where: short stacking energy: -491.872
Base-Backbone interact. energy: -1.196
local terms energy: -552.875099
where:
bonds (distance) C4'-P energy: -100.612
bonds (distance) P-C4' energy: -116.822
flat angles C4'-P-C4' energy: -119.530
flat angles P-C4'-P energy: -86.908
tors. eta vs tors. theta energy: -129.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1496.862276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.862276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.862276 (E_RNA)
where:
Base-Base interactions energy: -1030.208
where: short stacking energy: -430.669
Base-Backbone interact. energy: -1.706
local terms energy: -464.948687
where:
bonds (distance) C4'-P energy: -98.030
bonds (distance) P-C4' energy: -90.724
flat angles C4'-P-C4' energy: -110.681
flat angles P-C4'-P energy: -73.214
tors. eta vs tors. theta energy: -92.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1457.550711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.550711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.550711 (E_RNA)
where:
Base-Base interactions energy: -957.326
where: short stacking energy: -416.407
Base-Backbone interact. energy: 1.141
local terms energy: -501.365632
where:
bonds (distance) C4'-P energy: -110.662
bonds (distance) P-C4' energy: -101.409
flat angles C4'-P-C4' energy: -110.266
flat angles P-C4'-P energy: -80.284
tors. eta vs tors. theta energy: -98.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1268.608456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.608456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.608456 (E_RNA)
where:
Base-Base interactions energy: -855.018
where: short stacking energy: -366.593
Base-Backbone interact. energy: -1.226
local terms energy: -412.364847
where:
bonds (distance) C4'-P energy: -87.579
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -67.845
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -937.752707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.752707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.752707 (E_RNA)
where:
Base-Base interactions energy: -561.469
where: short stacking energy: -259.770
Base-Backbone interact. energy: 1.151
local terms energy: -377.434636
where:
bonds (distance) C4'-P energy: -89.583
bonds (distance) P-C4' energy: -91.841
flat angles C4'-P-C4' energy: -92.474
flat angles P-C4'-P energy: -69.209
tors. eta vs tors. theta energy: -34.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -533.064481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.064481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.064481 (E_RNA)
where:
Base-Base interactions energy: -229.749
where: short stacking energy: -129.732
Base-Backbone interact. energy: -4.512
local terms energy: -298.803492
where:
bonds (distance) C4'-P energy: -88.718
bonds (distance) P-C4' energy: -100.561
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: 10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2129.158200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.158200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.158200 (E_RNA)
where:
Base-Base interactions energy: -1494.901
where: short stacking energy: -598.297
Base-Backbone interact. energy: -0.433
local terms energy: -633.824584
where:
bonds (distance) C4'-P energy: -116.917
bonds (distance) P-C4' energy: -121.753
flat angles C4'-P-C4' energy: -135.129
flat angles P-C4'-P energy: -78.505
tors. eta vs tors. theta energy: -181.521
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1986.793615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.793615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.793615 (E_RNA)
where:
Base-Base interactions energy: -1372.183
where: short stacking energy: -564.241
Base-Backbone interact. energy: -2.235
local terms energy: -612.376421
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -116.711
flat angles C4'-P-C4' energy: -120.779
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -161.350
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: 313
Temperature: 1.000000
Total energy: -1941.714948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.714948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.714948 (E_RNA)
where:
Base-Base interactions energy: -1374.811
where: short stacking energy: -553.546
Base-Backbone interact. energy: -2.859
local terms energy: -564.044820
where:
bonds (distance) C4'-P energy: -101.974
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -115.984
flat angles P-C4'-P energy: -73.646
tors. eta vs tors. theta energy: -163.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1791.515982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.515982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.515982 (E_RNA)
where:
Base-Base interactions energy: -1211.855
where: short stacking energy: -518.994
Base-Backbone interact. energy: -2.024
local terms energy: -577.636831
where:
bonds (distance) C4'-P energy: -105.832
bonds (distance) P-C4' energy: -103.298
flat angles C4'-P-C4' energy: -127.745
flat angles P-C4'-P energy: -84.017
tors. eta vs tors. theta energy: -156.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1648.284849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.284849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.284849 (E_RNA)
where:
Base-Base interactions energy: -1130.241
where: short stacking energy: -467.700
Base-Backbone interact. energy: -1.018
local terms energy: -517.025677
where:
bonds (distance) C4'-P energy: -103.829
bonds (distance) P-C4' energy: -109.722
flat angles C4'-P-C4' energy: -104.155
flat angles P-C4'-P energy: -67.684
tors. eta vs tors. theta energy: -131.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1474.846739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.846739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.846739 (E_RNA)
where:
Base-Base interactions energy: -969.400
where: short stacking energy: -404.399
Base-Backbone interact. energy: -1.868
local terms energy: -503.578931
where:
bonds (distance) C4'-P energy: -104.830
bonds (distance) P-C4' energy: -122.050
flat angles C4'-P-C4' energy: -102.801
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -105.147
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: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1465.993280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.993280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.993280 (E_RNA)
where:
Base-Base interactions energy: -977.002
where: short stacking energy: -435.315
Base-Backbone interact. energy: -1.660
local terms energy: -487.331545
where:
bonds (distance) C4'-P energy: -84.826
bonds (distance) P-C4' energy: -105.002
flat angles C4'-P-C4' energy: -112.129
flat angles P-C4'-P energy: -65.095
tors. eta vs tors. theta energy: -120.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1249.833238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.833238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.833238 (E_RNA)
where:
Base-Base interactions energy: -826.881
where: short stacking energy: -348.859
Base-Backbone interact. energy: -2.101
local terms energy: -420.852108
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -97.911
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -80.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -946.271151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.271151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.271151 (E_RNA)
where:
Base-Base interactions energy: -584.983
where: short stacking energy: -293.696
Base-Backbone interact. energy: -1.739
local terms energy: -359.548463
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -70.130
flat angles C4'-P-C4' energy: -90.171
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -47.738
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: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -557.317501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.317501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.317501 (E_RNA)
where:
Base-Base interactions energy: -215.133
where: short stacking energy: -140.791
Base-Backbone interact. energy: 0.600
local terms energy: -342.784434
where:
bonds (distance) C4'-P energy: -89.924
bonds (distance) P-C4' energy: -112.718
flat angles C4'-P-C4' energy: -104.003
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: 4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2093.085871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.085871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.085871 (E_RNA)
where:
Base-Base interactions energy: -1473.058
where: short stacking energy: -593.265
Base-Backbone interact. energy: -2.129
local terms energy: -617.898894
where:
bonds (distance) C4'-P energy: -114.546
bonds (distance) P-C4' energy: -119.344
flat angles C4'-P-C4' energy: -128.947
flat angles P-C4'-P energy: -80.385
tors. eta vs tors. theta energy: -174.678
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: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2001.665750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.665750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.665750 (E_RNA)
where:
Base-Base interactions energy: -1392.981
where: short stacking energy: -570.905
Base-Backbone interact. energy: -4.409
local terms energy: -604.276219
where:
bonds (distance) C4'-P energy: -107.443
bonds (distance) P-C4' energy: -111.277
flat angles C4'-P-C4' energy: -137.991
flat angles P-C4'-P energy: -88.094
tors. eta vs tors. theta energy: -159.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1915.417277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.417277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.417277 (E_RNA)
where:
Base-Base interactions energy: -1338.264
where: short stacking energy: -546.588
Base-Backbone interact. energy: -1.425
local terms energy: -575.728730
where:
bonds (distance) C4'-P energy: -105.432
bonds (distance) P-C4' energy: -100.892
flat angles C4'-P-C4' energy: -123.569
flat angles P-C4'-P energy: -77.097
tors. eta vs tors. theta energy: -168.739
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: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1759.916356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.916356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.916356 (E_RNA)
where:
Base-Base interactions energy: -1218.720
where: short stacking energy: -528.589
Base-Backbone interact. energy: -4.813
local terms energy: -536.383476
where:
bonds (distance) C4'-P energy: -84.304
bonds (distance) P-C4' energy: -102.894
flat angles C4'-P-C4' energy: -115.142
flat angles P-C4'-P energy: -78.611
tors. eta vs tors. theta energy: -155.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1648.411230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.411230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.411230 (E_RNA)
where:
Base-Base interactions energy: -1109.960
where: short stacking energy: -489.756
Base-Backbone interact. energy: -3.143
local terms energy: -535.307900
where:
bonds (distance) C4'-P energy: -104.069
bonds (distance) P-C4' energy: -110.143
flat angles C4'-P-C4' energy: -101.651
flat angles P-C4'-P energy: -79.581
tors. eta vs tors. theta energy: -139.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1517.853951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.853951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.853951 (E_RNA)
where:
Base-Base interactions energy: -998.815
where: short stacking energy: -402.524
Base-Backbone interact. energy: -1.989
local terms energy: -517.049987
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -114.855
flat angles C4'-P-C4' energy: -130.588
flat angles P-C4'-P energy: -50.155
tors. eta vs tors. theta energy: -102.871
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: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1394.507560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.507560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.507560 (E_RNA)
where:
Base-Base interactions energy: -916.720
where: short stacking energy: -384.072
Base-Backbone interact. energy: -2.645
local terms energy: -475.141590
where:
bonds (distance) C4'-P energy: -108.707
bonds (distance) P-C4' energy: -110.913
flat angles C4'-P-C4' energy: -105.999
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -96.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1191.235000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.235000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.235000 (E_RNA)
where:
Base-Base interactions energy: -745.398
where: short stacking energy: -325.639
Base-Backbone interact. energy: 1.153
local terms energy: -446.989922
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -111.735
flat angles C4'-P-C4' energy: -108.464
flat angles P-C4'-P energy: -67.510
tors. eta vs tors. theta energy: -62.941
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: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -897.657047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.657047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.657047 (E_RNA)
where:
Base-Base interactions energy: -506.351
where: short stacking energy: -261.563
Base-Backbone interact. energy: -0.944
local terms energy: -390.362412
where:
bonds (distance) C4'-P energy: -104.501
bonds (distance) P-C4' energy: -103.086
flat angles C4'-P-C4' energy: -83.396
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -42.250
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: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -550.307785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.307785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.307785 (E_RNA)
where:
Base-Base interactions energy: -243.082
where: short stacking energy: -143.984
Base-Backbone interact. energy: -1.534
local terms energy: -305.692030
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -101.727
flat angles C4'-P-C4' energy: -92.848
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: 23.608
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2075.686343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.686343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.686343 (E_RNA)
where:
Base-Base interactions energy: -1474.004
where: short stacking energy: -554.878
Base-Backbone interact. energy: -5.119
local terms energy: -596.562751
where:
bonds (distance) C4'-P energy: -113.737
bonds (distance) P-C4' energy: -101.245
flat angles C4'-P-C4' energy: -132.305
flat angles P-C4'-P energy: -89.577
tors. eta vs tors. theta energy: -159.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1993.826242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.826242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.826242 (E_RNA)
where:
Base-Base interactions energy: -1403.937
where: short stacking energy: -580.389
Base-Backbone interact. energy: -2.976
local terms energy: -586.913229
where:
bonds (distance) C4'-P energy: -106.224
bonds (distance) P-C4' energy: -117.160
flat angles C4'-P-C4' energy: -120.830
flat angles P-C4'-P energy: -82.513
tors. eta vs tors. theta energy: -160.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1923.737800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.737800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.737800 (E_RNA)
where:
Base-Base interactions energy: -1323.737
where: short stacking energy: -548.173
Base-Backbone interact. energy: -0.146
local terms energy: -599.854528
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -105.477
flat angles C4'-P-C4' energy: -133.115
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -165.861
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: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1754.495555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.495555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.495555 (E_RNA)
where:
Base-Base interactions energy: -1196.816
where: short stacking energy: -496.753
Base-Backbone interact. energy: -2.759
local terms energy: -554.920483
where:
bonds (distance) C4'-P energy: -112.414
bonds (distance) P-C4' energy: -112.880
flat angles C4'-P-C4' energy: -118.130
flat angles P-C4'-P energy: -83.468
tors. eta vs tors. theta energy: -128.029
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1603.663207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.663207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.663207 (E_RNA)
where:
Base-Base interactions energy: -1088.155
where: short stacking energy: -476.182
Base-Backbone interact. energy: -1.997
local terms energy: -513.511191
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -108.428
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -129.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1532.948928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.948928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.948928 (E_RNA)
where:
Base-Base interactions energy: -1023.339
where: short stacking energy: -453.743
Base-Backbone interact. energy: 0.566
local terms energy: -510.176759
where:
bonds (distance) C4'-P energy: -105.915
bonds (distance) P-C4' energy: -107.308
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -68.800
tors. eta vs tors. theta energy: -121.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1461.062590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.062590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.062590 (E_RNA)
where:
Base-Base interactions energy: -989.221
where: short stacking energy: -433.971
Base-Backbone interact. energy: -3.266
local terms energy: -468.574797
where:
bonds (distance) C4'-P energy: -93.450
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -117.155
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -106.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1196.899039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.899039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.899039 (E_RNA)
where:
Base-Base interactions energy: -771.525
where: short stacking energy: -312.960
Base-Backbone interact. energy: 2.062
local terms energy: -427.436494
where:
bonds (distance) C4'-P energy: -98.746
bonds (distance) P-C4' energy: -103.668
flat angles C4'-P-C4' energy: -97.877
flat angles P-C4'-P energy: -52.741
tors. eta vs tors. theta energy: -74.405
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: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -866.412725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.412725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.412725 (E_RNA)
where:
Base-Base interactions energy: -490.827
where: short stacking energy: -260.933
Base-Backbone interact. energy: 1.891
local terms energy: -377.476318
where:
bonds (distance) C4'-P energy: -94.747
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -57.662
tors. eta vs tors. theta energy: -42.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -567.733307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.733307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.733307 (E_RNA)
where:
Base-Base interactions energy: -269.841
where: short stacking energy: -173.846
Base-Backbone interact. energy: -2.309
local terms energy: -295.583033
where:
bonds (distance) C4'-P energy: -74.201
bonds (distance) P-C4' energy: -79.798
flat angles C4'-P-C4' energy: -103.864
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: 9.414
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: 316
Temperature: 0.900000
Total energy: -2099.821610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.821610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.821610 (E_RNA)
where:
Base-Base interactions energy: -1482.435
where: short stacking energy: -591.653
Base-Backbone interact. energy: -0.520
local terms energy: -616.867234
where:
bonds (distance) C4'-P energy: -120.708
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -134.135
flat angles P-C4'-P energy: -89.601
tors. eta vs tors. theta energy: -169.559
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2028.467970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.467970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.467970 (E_RNA)
where:
Base-Base interactions energy: -1395.309
where: short stacking energy: -590.382
Base-Backbone interact. energy: -4.233
local terms energy: -628.926031
where:
bonds (distance) C4'-P energy: -108.728
bonds (distance) P-C4' energy: -127.694
flat angles C4'-P-C4' energy: -134.303
flat angles P-C4'-P energy: -92.540
tors. eta vs tors. theta energy: -165.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1907.041394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.041394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.041394 (E_RNA)
where:
Base-Base interactions energy: -1312.820
where: short stacking energy: -553.881
Base-Backbone interact. energy: -4.655
local terms energy: -589.566146
where:
bonds (distance) C4'-P energy: -117.246
bonds (distance) P-C4' energy: -104.344
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -78.185
tors. eta vs tors. theta energy: -157.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1737.213613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.213613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.213613 (E_RNA)
where:
Base-Base interactions energy: -1168.765
where: short stacking energy: -481.554
Base-Backbone interact. energy: 1.760
local terms energy: -570.209243
where:
bonds (distance) C4'-P energy: -120.482
bonds (distance) P-C4' energy: -112.659
flat angles C4'-P-C4' energy: -126.126
flat angles P-C4'-P energy: -74.806
tors. eta vs tors. theta energy: -136.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1615.289153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.289153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.289153 (E_RNA)
where:
Base-Base interactions energy: -1087.967
where: short stacking energy: -442.794
Base-Backbone interact. energy: -5.284
local terms energy: -522.038272
where:
bonds (distance) C4'-P energy: -103.596
bonds (distance) P-C4' energy: -108.721
flat angles C4'-P-C4' energy: -114.270
flat angles P-C4'-P energy: -72.254
tors. eta vs tors. theta energy: -123.199
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: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1524.885551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.885551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.885551 (E_RNA)
where:
Base-Base interactions energy: -1001.699
where: short stacking energy: -454.145
Base-Backbone interact. energy: -1.833
local terms energy: -521.353764
where:
bonds (distance) C4'-P energy: -121.974
bonds (distance) P-C4' energy: -88.556
flat angles C4'-P-C4' energy: -112.041
flat angles P-C4'-P energy: -73.617
tors. eta vs tors. theta energy: -125.165
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: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1393.116452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.116452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.116452 (E_RNA)
where:
Base-Base interactions energy: -920.647
where: short stacking energy: -382.456
Base-Backbone interact. energy: 1.799
local terms energy: -474.268281
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -99.918
flat angles C4'-P-C4' energy: -100.903
flat angles P-C4'-P energy: -77.543
tors. eta vs tors. theta energy: -96.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1197.539586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.539586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.539586 (E_RNA)
where:
Base-Base interactions energy: -795.491
where: short stacking energy: -341.891
Base-Backbone interact. energy: -0.149
local terms energy: -401.900085
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -97.444
flat angles C4'-P-C4' energy: -94.471
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -68.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -830.012386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.012386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.012386 (E_RNA)
where:
Base-Base interactions energy: -476.089
where: short stacking energy: -238.097
Base-Backbone interact. energy: 5.518
local terms energy: -359.440426
where:
bonds (distance) C4'-P energy: -95.285
bonds (distance) P-C4' energy: -104.168
flat angles C4'-P-C4' energy: -86.166
flat angles P-C4'-P energy: -58.717
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -565.341393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.341393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.341393 (E_RNA)
where:
Base-Base interactions energy: -261.329
where: short stacking energy: -178.440
Base-Backbone interact. energy: 3.448
local terms energy: -307.460391
where:
bonds (distance) C4'-P energy: -80.949
bonds (distance) P-C4' energy: -100.427
flat angles C4'-P-C4' energy: -66.421
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: 7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2091.171934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.171934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.171934 (E_RNA)
where:
Base-Base interactions energy: -1465.855
where: short stacking energy: -603.287
Base-Backbone interact. energy: -2.647
local terms energy: -622.669427
where:
bonds (distance) C4'-P energy: -109.929
bonds (distance) P-C4' energy: -114.946
flat angles C4'-P-C4' energy: -138.899
flat angles P-C4'-P energy: -90.672
tors. eta vs tors. theta energy: -168.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2008.736446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.736446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.736446 (E_RNA)
where:
Base-Base interactions energy: -1409.435
where: short stacking energy: -568.535
Base-Backbone interact. energy: -0.323
local terms energy: -598.978433
where:
bonds (distance) C4'-P energy: -117.473
bonds (distance) P-C4' energy: -112.496
flat angles C4'-P-C4' energy: -124.827
flat angles P-C4'-P energy: -81.012
tors. eta vs tors. theta energy: -163.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1939.477374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.477374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.477374 (E_RNA)
where:
Base-Base interactions energy: -1357.329
where: short stacking energy: -541.128
Base-Backbone interact. energy: 0.143
local terms energy: -582.291312
where:
bonds (distance) C4'-P energy: -98.872
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -122.220
flat angles P-C4'-P energy: -87.856
tors. eta vs tors. theta energy: -163.106
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1743.338900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.338900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.338900 (E_RNA)
where:
Base-Base interactions energy: -1193.644
where: short stacking energy: -500.906
Base-Backbone interact. energy: -0.706
local terms energy: -548.988187
where:
bonds (distance) C4'-P energy: -118.329
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -123.285
flat angles P-C4'-P energy: -81.214
tors. eta vs tors. theta energy: -128.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1639.099967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.099967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.099967 (E_RNA)
where:
Base-Base interactions energy: -1101.960
where: short stacking energy: -459.233
Base-Backbone interact. energy: -2.116
local terms energy: -535.024429
where:
bonds (distance) C4'-P energy: -107.711
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -72.902
tors. eta vs tors. theta energy: -127.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1504.914043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.914043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.914043 (E_RNA)
where:
Base-Base interactions energy: -999.096
where: short stacking energy: -433.665
Base-Backbone interact. energy: -3.213
local terms energy: -502.605261
where:
bonds (distance) C4'-P energy: -101.321
bonds (distance) P-C4' energy: -106.163
flat angles C4'-P-C4' energy: -106.610
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -111.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1411.431883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.431883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.431883 (E_RNA)
where:
Base-Base interactions energy: -926.707
where: short stacking energy: -417.640
Base-Backbone interact. energy: -1.230
local terms energy: -483.495143
where:
bonds (distance) C4'-P energy: -99.998
bonds (distance) P-C4' energy: -88.179
flat angles C4'-P-C4' energy: -117.980
flat angles P-C4'-P energy: -74.281
tors. eta vs tors. theta energy: -103.056
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1232.565184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.565184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.565184 (E_RNA)
where:
Base-Base interactions energy: -816.776
where: short stacking energy: -324.187
Base-Backbone interact. energy: -1.188
local terms energy: -414.601530
where:
bonds (distance) C4'-P energy: -98.387
bonds (distance) P-C4' energy: -99.825
flat angles C4'-P-C4' energy: -109.617
flat angles P-C4'-P energy: -53.419
tors. eta vs tors. theta energy: -53.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -864.189551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.189551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.189551 (E_RNA)
where:
Base-Base interactions energy: -507.554
where: short stacking energy: -235.266
Base-Backbone interact. energy: -2.449
local terms energy: -354.185945
where:
bonds (distance) C4'-P energy: -104.670
bonds (distance) P-C4' energy: -101.496
flat angles C4'-P-C4' energy: -87.853
flat angles P-C4'-P energy: -48.984
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -593.761477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.761477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.761477 (E_RNA)
where:
Base-Base interactions energy: -288.166
where: short stacking energy: -165.885
Base-Backbone interact. energy: -0.555
local terms energy: -305.040258
where:
bonds (distance) C4'-P energy: -85.342
bonds (distance) P-C4' energy: -101.586
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: 9.962
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2128.299514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.299514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.299514 (E_RNA)
where:
Base-Base interactions energy: -1509.542
where: short stacking energy: -580.669
Base-Backbone interact. energy: -5.000
local terms energy: -613.756902
where:
bonds (distance) C4'-P energy: -118.351
bonds (distance) P-C4' energy: -113.885
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -88.183
tors. eta vs tors. theta energy: -159.638
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: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1993.610477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.610477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.610477 (E_RNA)
where:
Base-Base interactions energy: -1382.812
where: short stacking energy: -566.439
Base-Backbone interact. energy: -3.468
local terms energy: -607.331073
where:
bonds (distance) C4'-P energy: -121.095
bonds (distance) P-C4' energy: -117.036
flat angles C4'-P-C4' energy: -122.739
flat angles P-C4'-P energy: -83.949
tors. eta vs tors. theta energy: -162.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1962.193447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.193447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.193447 (E_RNA)
where:
Base-Base interactions energy: -1374.058
where: short stacking energy: -559.442
Base-Backbone interact. energy: 4.813
local terms energy: -592.948081
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -120.526
flat angles C4'-P-C4' energy: -124.330
flat angles P-C4'-P energy: -81.966
tors. eta vs tors. theta energy: -168.622
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: 318
Temperature: 1.050000
Total energy: -1755.548774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.548774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.548774 (E_RNA)
where:
Base-Base interactions energy: -1197.028
where: short stacking energy: -496.916
Base-Backbone interact. energy: 1.057
local terms energy: -559.577718
where:
bonds (distance) C4'-P energy: -107.303
bonds (distance) P-C4' energy: -124.972
flat angles C4'-P-C4' energy: -117.577
flat angles P-C4'-P energy: -69.484
tors. eta vs tors. theta energy: -140.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1637.806576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.806576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.806576 (E_RNA)
where:
Base-Base interactions energy: -1111.089
where: short stacking energy: -459.407
Base-Backbone interact. energy: -0.228
local terms energy: -526.489713
where:
bonds (distance) C4'-P energy: -104.878
bonds (distance) P-C4' energy: -100.855
flat angles C4'-P-C4' energy: -124.560
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -111.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1545.896625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.896625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.896625 (E_RNA)
where:
Base-Base interactions energy: -1043.996
where: short stacking energy: -449.967
Base-Backbone interact. energy: 2.219
local terms energy: -504.119533
where:
bonds (distance) C4'-P energy: -105.431
bonds (distance) P-C4' energy: -106.678
flat angles C4'-P-C4' energy: -96.458
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: -129.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1346.785616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.785616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.785616 (E_RNA)
where:
Base-Base interactions energy: -892.163
where: short stacking energy: -376.869
Base-Backbone interact. energy: -1.530
local terms energy: -453.091946
where:
bonds (distance) C4'-P energy: -94.226
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -92.097
flat angles P-C4'-P energy: -74.104
tors. eta vs tors. theta energy: -87.345
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: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1240.789256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.789256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.789256 (E_RNA)
where:
Base-Base interactions energy: -803.811
where: short stacking energy: -354.187
Base-Backbone interact. energy: -0.414
local terms energy: -436.563698
where:
bonds (distance) C4'-P energy: -80.080
bonds (distance) P-C4' energy: -108.826
flat angles C4'-P-C4' energy: -108.770
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -75.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -880.034077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.034077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.034077 (E_RNA)
where:
Base-Base interactions energy: -547.936
where: short stacking energy: -257.887
Base-Backbone interact. energy: 1.303
local terms energy: -333.401218
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -91.426
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -587.171845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.171845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.171845 (E_RNA)
where:
Base-Base interactions energy: -302.527
where: short stacking energy: -186.113
Base-Backbone interact. energy: 2.265
local terms energy: -286.909983
where:
bonds (distance) C4'-P energy: -79.581
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -81.719
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: 6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2102.800238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.800238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.800238 (E_RNA)
where:
Base-Base interactions energy: -1472.564
where: short stacking energy: -576.670
Base-Backbone interact. energy: -2.974
local terms energy: -627.261440
where:
bonds (distance) C4'-P energy: -113.254
bonds (distance) P-C4' energy: -120.009
flat angles C4'-P-C4' energy: -131.247
flat angles P-C4'-P energy: -97.496
tors. eta vs tors. theta energy: -165.256
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1982.488991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.488991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.488991 (E_RNA)
where:
Base-Base interactions energy: -1388.849
where: short stacking energy: -570.800
Base-Backbone interact. energy: -3.597
local terms energy: -590.042694
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -101.375
flat angles C4'-P-C4' energy: -131.955
flat angles P-C4'-P energy: -89.520
tors. eta vs tors. theta energy: -163.858
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: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1907.122653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.122653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.122653 (E_RNA)
where:
Base-Base interactions energy: -1343.634
where: short stacking energy: -527.755
Base-Backbone interact. energy: -2.381
local terms energy: -561.106719
where:
bonds (distance) C4'-P energy: -113.004
bonds (distance) P-C4' energy: -122.332
flat angles C4'-P-C4' energy: -114.574
flat angles P-C4'-P energy: -75.452
tors. eta vs tors. theta energy: -135.744
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1754.910768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.910768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.910768 (E_RNA)
where:
Base-Base interactions energy: -1208.943
where: short stacking energy: -510.383
Base-Backbone interact. energy: -3.925
local terms energy: -542.042799
where:
bonds (distance) C4'-P energy: -104.052
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -124.320
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -137.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1600.667623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.667623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.667623 (E_RNA)
where:
Base-Base interactions energy: -1075.824
where: short stacking energy: -474.005
Base-Backbone interact. energy: 0.837
local terms energy: -525.679901
where:
bonds (distance) C4'-P energy: -104.730
bonds (distance) P-C4' energy: -107.827
flat angles C4'-P-C4' energy: -112.823
flat angles P-C4'-P energy: -79.779
tors. eta vs tors. theta energy: -120.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1539.882435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.882435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.882435 (E_RNA)
where:
Base-Base interactions energy: -1027.029
where: short stacking energy: -442.567
Base-Backbone interact. energy: -1.815
local terms energy: -511.038265
where:
bonds (distance) C4'-P energy: -101.456
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -109.404
flat angles P-C4'-P energy: -78.576
tors. eta vs tors. theta energy: -117.839
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: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1400.877154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.877154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.877154 (E_RNA)
where:
Base-Base interactions energy: -928.671
where: short stacking energy: -402.384
Base-Backbone interact. energy: -0.542
local terms energy: -471.663537
where:
bonds (distance) C4'-P energy: -102.413
bonds (distance) P-C4' energy: -105.279
flat angles C4'-P-C4' energy: -113.496
flat angles P-C4'-P energy: -58.254
tors. eta vs tors. theta energy: -92.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1222.694652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.694652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.694652 (E_RNA)
where:
Base-Base interactions energy: -804.188
where: short stacking energy: -370.334
Base-Backbone interact. energy: -2.593
local terms energy: -415.913671
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -82.684
flat angles C4'-P-C4' energy: -99.027
flat angles P-C4'-P energy: -72.222
tors. eta vs tors. theta energy: -71.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -863.165171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.165171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.165171 (E_RNA)
where:
Base-Base interactions energy: -500.385
where: short stacking energy: -258.687
Base-Backbone interact. energy: 6.227
local terms energy: -369.006887
where:
bonds (distance) C4'-P energy: -84.417
bonds (distance) P-C4' energy: -97.105
flat angles C4'-P-C4' energy: -89.143
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -41.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -554.917743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.917743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.917743 (E_RNA)
where:
Base-Base interactions energy: -234.312
where: short stacking energy: -150.628
Base-Backbone interact. energy: 0.863
local terms energy: -321.468902
where:
bonds (distance) C4'-P energy: -107.051
bonds (distance) P-C4' energy: -99.705
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: 33.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2110.072030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.072030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.072030 (E_RNA)
where:
Base-Base interactions energy: -1514.000
where: short stacking energy: -583.062
Base-Backbone interact. energy: -1.000
local terms energy: -595.072039
where:
bonds (distance) C4'-P energy: -105.380
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -120.703
flat angles P-C4'-P energy: -75.189
tors. eta vs tors. theta energy: -177.606
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: 320
Temperature: 0.950000
Total energy: -1955.580839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.580839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.580839 (E_RNA)
where:
Base-Base interactions energy: -1360.221
where: short stacking energy: -553.422
Base-Backbone interact. energy: -4.776
local terms energy: -590.583727
where:
bonds (distance) C4'-P energy: -99.182
bonds (distance) P-C4' energy: -127.149
flat angles C4'-P-C4' energy: -125.572
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -160.250
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: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1903.082050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.082050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.082050 (E_RNA)
where:
Base-Base interactions energy: -1326.589
where: short stacking energy: -549.578
Base-Backbone interact. energy: -3.806
local terms energy: -572.687098
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -109.877
flat angles C4'-P-C4' energy: -120.091
flat angles P-C4'-P energy: -86.482
tors. eta vs tors. theta energy: -152.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1785.984471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.984471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.984471 (E_RNA)
where:
Base-Base interactions energy: -1218.699
where: short stacking energy: -500.491
Base-Backbone interact. energy: -1.680
local terms energy: -565.605515
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -103.361
flat angles C4'-P-C4' energy: -113.778
flat angles P-C4'-P energy: -85.392
tors. eta vs tors. theta energy: -140.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1602.825824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.825824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.825824 (E_RNA)
where:
Base-Base interactions energy: -1089.859
where: short stacking energy: -462.603
Base-Backbone interact. energy: -4.830
local terms energy: -508.137055
where:
bonds (distance) C4'-P energy: -90.135
bonds (distance) P-C4' energy: -111.543
flat angles C4'-P-C4' energy: -115.398
flat angles P-C4'-P energy: -70.832
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1524.744960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.744960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.744960 (E_RNA)
where:
Base-Base interactions energy: -1005.487
where: short stacking energy: -449.382
Base-Backbone interact. energy: 0.204
local terms energy: -519.462369
where:
bonds (distance) C4'-P energy: -106.506
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -67.518
tors. eta vs tors. theta energy: -118.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1373.407729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.407729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.407729 (E_RNA)
where:
Base-Base interactions energy: -919.042
where: short stacking energy: -381.279
Base-Backbone interact. energy: 0.716
local terms energy: -455.081876
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -104.381
flat angles C4'-P-C4' energy: -100.670
flat angles P-C4'-P energy: -62.397
tors. eta vs tors. theta energy: -90.334
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1222.196517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.196517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.196517 (E_RNA)
where:
Base-Base interactions energy: -804.083
where: short stacking energy: -313.838
Base-Backbone interact. energy: 0.332
local terms energy: -418.445473
where:
bonds (distance) C4'-P energy: -91.352
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -49.141
tors. eta vs tors. theta energy: -62.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -848.784807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.784807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.784807 (E_RNA)
where:
Base-Base interactions energy: -507.133
where: short stacking energy: -232.954
Base-Backbone interact. energy: 4.045
local terms energy: -345.696121
where:
bonds (distance) C4'-P energy: -97.517
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -83.055
flat angles P-C4'-P energy: -59.081
tors. eta vs tors. theta energy: -19.983
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: 320
Temperature: 1.350000
Total energy: -549.148974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.148974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.148974 (E_RNA)
where:
Base-Base interactions energy: -236.463
where: short stacking energy: -154.062
Base-Backbone interact. energy: -3.654
local terms energy: -309.031757
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -84.068
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: 12.068
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: 321
Temperature: 0.900000
Total energy: -2094.025378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.025378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.025378 (E_RNA)
where:
Base-Base interactions energy: -1466.385
where: short stacking energy: -557.759
Base-Backbone interact. energy: -0.384
local terms energy: -627.256142
where:
bonds (distance) C4'-P energy: -108.748
bonds (distance) P-C4' energy: -115.420
flat angles C4'-P-C4' energy: -139.205
flat angles P-C4'-P energy: -97.642
tors. eta vs tors. theta energy: -166.241
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1959.520254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.520254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.520254 (E_RNA)
where:
Base-Base interactions energy: -1359.674
where: short stacking energy: -557.634
Base-Backbone interact. energy: 0.580
local terms energy: -600.426677
where:
bonds (distance) C4'-P energy: -113.505
bonds (distance) P-C4' energy: -115.183
flat angles C4'-P-C4' energy: -132.398
flat angles P-C4'-P energy: -85.096
tors. eta vs tors. theta energy: -154.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1930.386511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.386511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.386511 (E_RNA)
where:
Base-Base interactions energy: -1363.902
where: short stacking energy: -530.396
Base-Backbone interact. energy: -0.798
local terms energy: -565.686521
where:
bonds (distance) C4'-P energy: -108.531
bonds (distance) P-C4' energy: -104.463
flat angles C4'-P-C4' energy: -128.796
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -148.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1769.937272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.937272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.937272 (E_RNA)
where:
Base-Base interactions energy: -1254.609
where: short stacking energy: -505.709
Base-Backbone interact. energy: -0.307
local terms energy: -515.021783
where:
bonds (distance) C4'-P energy: -115.246
bonds (distance) P-C4' energy: -93.559
flat angles C4'-P-C4' energy: -100.982
flat angles P-C4'-P energy: -78.396
tors. eta vs tors. theta energy: -126.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1562.145361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.145361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.145361 (E_RNA)
where:
Base-Base interactions energy: -1048.261
where: short stacking energy: -422.630
Base-Backbone interact. energy: -3.372
local terms energy: -510.512884
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -101.613
flat angles C4'-P-C4' energy: -111.562
flat angles P-C4'-P energy: -70.420
tors. eta vs tors. theta energy: -122.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1551.186792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.186792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.186792 (E_RNA)
where:
Base-Base interactions energy: -1029.961
where: short stacking energy: -453.562
Base-Backbone interact. energy: 1.698
local terms energy: -522.924527
where:
bonds (distance) C4'-P energy: -104.391
bonds (distance) P-C4' energy: -117.126
flat angles C4'-P-C4' energy: -115.199
flat angles P-C4'-P energy: -67.523
tors. eta vs tors. theta energy: -118.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1391.909606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.909606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.909606 (E_RNA)
where:
Base-Base interactions energy: -898.865
where: short stacking energy: -385.960
Base-Backbone interact. energy: -1.752
local terms energy: -491.292754
where:
bonds (distance) C4'-P energy: -93.781
bonds (distance) P-C4' energy: -88.841
flat angles C4'-P-C4' energy: -115.139
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -113.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1247.643811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.643811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.643811 (E_RNA)
where:
Base-Base interactions energy: -827.359
where: short stacking energy: -350.573
Base-Backbone interact. energy: -2.616
local terms energy: -417.669095
where:
bonds (distance) C4'-P energy: -87.938
bonds (distance) P-C4' energy: -105.811
flat angles C4'-P-C4' energy: -98.212
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: -74.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -881.916331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.916331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.916331 (E_RNA)
where:
Base-Base interactions energy: -514.549
where: short stacking energy: -246.815
Base-Backbone interact. energy: 0.231
local terms energy: -367.598588
where:
bonds (distance) C4'-P energy: -88.682
bonds (distance) P-C4' energy: -92.660
flat angles C4'-P-C4' energy: -94.166
flat angles P-C4'-P energy: -59.459
tors. eta vs tors. theta energy: -32.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -576.799776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.799776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.799776 (E_RNA)
where:
Base-Base interactions energy: -289.116
where: short stacking energy: -165.720
Base-Backbone interact. energy: 3.800
local terms energy: -291.483887
where:
bonds (distance) C4'-P energy: -81.431
bonds (distance) P-C4' energy: -93.865
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -60.254
tors. eta vs tors. theta energy: 16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2088.930000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.930000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.930000 (E_RNA)
where:
Base-Base interactions energy: -1468.097
where: short stacking energy: -594.628
Base-Backbone interact. energy: -2.381
local terms energy: -618.452005
where:
bonds (distance) C4'-P energy: -113.971
bonds (distance) P-C4' energy: -121.451
flat angles C4'-P-C4' energy: -135.226
flat angles P-C4'-P energy: -81.838
tors. eta vs tors. theta energy: -165.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1975.679067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.679067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.679067 (E_RNA)
where:
Base-Base interactions energy: -1374.374
where: short stacking energy: -558.222
Base-Backbone interact. energy: -3.357
local terms energy: -597.948279
where:
bonds (distance) C4'-P energy: -121.115
bonds (distance) P-C4' energy: -117.118
flat angles C4'-P-C4' energy: -122.655
flat angles P-C4'-P energy: -73.507
tors. eta vs tors. theta energy: -163.553
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1911.191746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.191746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.191746 (E_RNA)
where:
Base-Base interactions energy: -1314.437
where: short stacking energy: -553.788
Base-Backbone interact. energy: -1.570
local terms energy: -595.184094
where:
bonds (distance) C4'-P energy: -99.615
bonds (distance) P-C4' energy: -124.105
flat angles C4'-P-C4' energy: -121.343
flat angles P-C4'-P energy: -80.128
tors. eta vs tors. theta energy: -169.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1775.622410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.622410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.622410 (E_RNA)
where:
Base-Base interactions energy: -1222.248
where: short stacking energy: -496.408
Base-Backbone interact. energy: -3.848
local terms energy: -549.526344
where:
bonds (distance) C4'-P energy: -99.985
bonds (distance) P-C4' energy: -100.010
flat angles C4'-P-C4' energy: -124.163
flat angles P-C4'-P energy: -79.638
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: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1626.723938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.723938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.723938 (E_RNA)
where:
Base-Base interactions energy: -1082.934
where: short stacking energy: -478.590
Base-Backbone interact. energy: -2.674
local terms energy: -541.116285
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -101.690
flat angles C4'-P-C4' energy: -115.048
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -119.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1519.966707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.966707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.966707 (E_RNA)
where:
Base-Base interactions energy: -1006.428
where: short stacking energy: -418.131
Base-Backbone interact. energy: -1.128
local terms energy: -512.410549
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -101.874
flat angles C4'-P-C4' energy: -126.096
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -112.848
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: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1423.895702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.895702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.895702 (E_RNA)
where:
Base-Base interactions energy: -933.545
where: short stacking energy: -424.064
Base-Backbone interact. energy: 0.568
local terms energy: -490.918646
where:
bonds (distance) C4'-P energy: -106.693
bonds (distance) P-C4' energy: -95.741
flat angles C4'-P-C4' energy: -115.296
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -107.044
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: 322
Temperature: 1.250000
Total energy: -1259.503671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.503671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.503671 (E_RNA)
where:
Base-Base interactions energy: -798.440
where: short stacking energy: -353.013
Base-Backbone interact. energy: -2.235
local terms energy: -458.829266
where:
bonds (distance) C4'-P energy: -94.083
bonds (distance) P-C4' energy: -106.877
flat angles C4'-P-C4' energy: -111.164
flat angles P-C4'-P energy: -76.267
tors. eta vs tors. theta energy: -70.439
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: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -920.337272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.337272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.337272 (E_RNA)
where:
Base-Base interactions energy: -563.029
where: short stacking energy: -264.547
Base-Backbone interact. energy: -2.237
local terms energy: -355.070837
where:
bonds (distance) C4'-P energy: -87.588
bonds (distance) P-C4' energy: -90.490
flat angles C4'-P-C4' energy: -82.420
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -36.500
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: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -626.680013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.680013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.680013 (E_RNA)
where:
Base-Base interactions energy: -326.847
where: short stacking energy: -198.814
Base-Backbone interact. energy: -1.922
local terms energy: -297.911004
where:
bonds (distance) C4'-P energy: -99.758
bonds (distance) P-C4' energy: -83.822
flat angles C4'-P-C4' energy: -74.955
flat angles P-C4'-P energy: -44.059
tors. eta vs tors. theta energy: 4.683
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2078.808063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.808063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.808063 (E_RNA)
where:
Base-Base interactions energy: -1466.265
where: short stacking energy: -601.262
Base-Backbone interact. energy: -0.562
local terms energy: -611.981253
where:
bonds (distance) C4'-P energy: -117.743
bonds (distance) P-C4' energy: -110.329
flat angles C4'-P-C4' energy: -128.232
flat angles P-C4'-P energy: -88.125
tors. eta vs tors. theta energy: -167.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1966.025663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.025663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.025663 (E_RNA)
where:
Base-Base interactions energy: -1342.539
where: short stacking energy: -558.703
Base-Backbone interact. energy: -1.354
local terms energy: -622.132608
where:
bonds (distance) C4'-P energy: -119.234
bonds (distance) P-C4' energy: -119.883
flat angles C4'-P-C4' energy: -126.175
flat angles P-C4'-P energy: -89.258
tors. eta vs tors. theta energy: -167.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1940.745698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.745698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.745698 (E_RNA)
where:
Base-Base interactions energy: -1330.408
where: short stacking energy: -537.955
Base-Backbone interact. energy: -1.914
local terms energy: -608.424395
where:
bonds (distance) C4'-P energy: -107.446
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -123.245
flat angles P-C4'-P energy: -87.200
tors. eta vs tors. theta energy: -168.202
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: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1758.017475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.017475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.017475 (E_RNA)
where:
Base-Base interactions energy: -1228.503
where: short stacking energy: -501.000
Base-Backbone interact. energy: -0.373
local terms energy: -529.140905
where:
bonds (distance) C4'-P energy: -94.596
bonds (distance) P-C4' energy: -99.583
flat angles C4'-P-C4' energy: -122.354
flat angles P-C4'-P energy: -89.508
tors. eta vs tors. theta energy: -123.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1620.231979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.231979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.231979 (E_RNA)
where:
Base-Base interactions energy: -1086.888
where: short stacking energy: -463.613
Base-Backbone interact. energy: -3.664
local terms energy: -529.680248
where:
bonds (distance) C4'-P energy: -106.632
bonds (distance) P-C4' energy: -100.760
flat angles C4'-P-C4' energy: -121.002
flat angles P-C4'-P energy: -77.616
tors. eta vs tors. theta energy: -123.670
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: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1498.661306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.661306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.661306 (E_RNA)
where:
Base-Base interactions energy: -981.271
where: short stacking energy: -439.474
Base-Backbone interact. energy: 2.908
local terms energy: -520.298423
where:
bonds (distance) C4'-P energy: -93.149
bonds (distance) P-C4' energy: -113.198
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -89.331
tors. eta vs tors. theta energy: -112.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1441.773745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.773745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.773745 (E_RNA)
where:
Base-Base interactions energy: -960.417
where: short stacking energy: -441.582
Base-Backbone interact. energy: -2.750
local terms energy: -478.606379
where:
bonds (distance) C4'-P energy: -96.299
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -112.026
flat angles P-C4'-P energy: -86.173
tors. eta vs tors. theta energy: -103.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1248.784141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.784141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.784141 (E_RNA)
where:
Base-Base interactions energy: -822.642
where: short stacking energy: -353.557
Base-Backbone interact. energy: 3.014
local terms energy: -429.156648
where:
bonds (distance) C4'-P energy: -82.521
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -113.838
flat angles P-C4'-P energy: -64.638
tors. eta vs tors. theta energy: -76.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -899.271711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.271711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.271711 (E_RNA)
where:
Base-Base interactions energy: -544.108
where: short stacking energy: -253.377
Base-Backbone interact. energy: -1.599
local terms energy: -353.564558
where:
bonds (distance) C4'-P energy: -97.297
bonds (distance) P-C4' energy: -84.532
flat angles C4'-P-C4' energy: -95.239
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -603.749791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.749791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.749791 (E_RNA)
where:
Base-Base interactions energy: -301.900
where: short stacking energy: -179.165
Base-Backbone interact. energy: -1.805
local terms energy: -300.044379
where:
bonds (distance) C4'-P energy: -82.698
bonds (distance) P-C4' energy: -98.913
flat angles C4'-P-C4' energy: -75.048
flat angles P-C4'-P energy: -48.926
tors. eta vs tors. theta energy: 5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2057.642664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.642664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.642664 (E_RNA)
where:
Base-Base interactions energy: -1442.576
where: short stacking energy: -573.281
Base-Backbone interact. energy: 0.722
local terms energy: -615.788337
where:
bonds (distance) C4'-P energy: -111.445
bonds (distance) P-C4' energy: -125.335
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -91.659
tors. eta vs tors. theta energy: -158.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2002.678391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.678391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.678391 (E_RNA)
where:
Base-Base interactions energy: -1386.998
where: short stacking energy: -577.080
Base-Backbone interact. energy: -3.818
local terms energy: -611.862517
where:
bonds (distance) C4'-P energy: -89.776
bonds (distance) P-C4' energy: -123.936
flat angles C4'-P-C4' energy: -127.887
flat angles P-C4'-P energy: -94.179
tors. eta vs tors. theta energy: -176.085
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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1951.921159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.921159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.921159 (E_RNA)
where:
Base-Base interactions energy: -1361.350
where: short stacking energy: -577.998
Base-Backbone interact. energy: -1.979
local terms energy: -588.591770
where:
bonds (distance) C4'-P energy: -94.650
bonds (distance) P-C4' energy: -112.919
flat angles C4'-P-C4' energy: -129.752
flat angles P-C4'-P energy: -85.438
tors. eta vs tors. theta energy: -165.832
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1801.875478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.875478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.875478 (E_RNA)
where:
Base-Base interactions energy: -1232.635
where: short stacking energy: -513.628
Base-Backbone interact. energy: -1.296
local terms energy: -567.945150
where:
bonds (distance) C4'-P energy: -109.445
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -125.221
flat angles P-C4'-P energy: -81.198
tors. eta vs tors. theta energy: -143.809
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: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1611.469857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.469857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.469857 (E_RNA)
where:
Base-Base interactions energy: -1072.405
where: short stacking energy: -443.797
Base-Backbone interact. energy: -0.606
local terms energy: -538.459223
where:
bonds (distance) C4'-P energy: -114.082
bonds (distance) P-C4' energy: -124.275
flat angles C4'-P-C4' energy: -109.575
flat angles P-C4'-P energy: -74.108
tors. eta vs tors. theta energy: -116.420
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: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1500.762915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.762915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.762915 (E_RNA)
where:
Base-Base interactions energy: -993.843
where: short stacking energy: -439.627
Base-Backbone interact. energy: -0.579
local terms energy: -506.340502
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -104.010
flat angles C4'-P-C4' energy: -110.007
flat angles P-C4'-P energy: -83.833
tors. eta vs tors. theta energy: -113.533
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: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1430.854486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.854486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.854486 (E_RNA)
where:
Base-Base interactions energy: -943.448
where: short stacking energy: -426.433
Base-Backbone interact. energy: 1.210
local terms energy: -488.616852
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -102.692
flat angles C4'-P-C4' energy: -109.086
flat angles P-C4'-P energy: -73.442
tors. eta vs tors. theta energy: -105.865
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: 324
Temperature: 1.250000
Total energy: -1228.055956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.055956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.055956 (E_RNA)
where:
Base-Base interactions energy: -797.826
where: short stacking energy: -361.574
Base-Backbone interact. energy: 0.496
local terms energy: -430.726351
where:
bonds (distance) C4'-P energy: -103.820
bonds (distance) P-C4' energy: -93.273
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -72.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -900.094826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.094826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.094826 (E_RNA)
where:
Base-Base interactions energy: -542.646
where: short stacking energy: -262.009
Base-Backbone interact. energy: 3.204
local terms energy: -360.653344
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -107.445
flat angles C4'-P-C4' energy: -91.264
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -531.010923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.010923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.010923 (E_RNA)
where:
Base-Base interactions energy: -254.885
where: short stacking energy: -165.065
Base-Backbone interact. energy: 1.157
local terms energy: -277.282974
where:
bonds (distance) C4'-P energy: -67.849
bonds (distance) P-C4' energy: -99.228
flat angles C4'-P-C4' energy: -79.114
flat angles P-C4'-P energy: -52.129
tors. eta vs tors. theta energy: 21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2057.612173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.612173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.612173 (E_RNA)
where:
Base-Base interactions energy: -1454.609
where: short stacking energy: -583.131
Base-Backbone interact. energy: 2.961
local terms energy: -605.964602
where:
bonds (distance) C4'-P energy: -102.802
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -141.220
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -160.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2010.097952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.097952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.097952 (E_RNA)
where:
Base-Base interactions energy: -1388.672
where: short stacking energy: -552.035
Base-Backbone interact. energy: -3.888
local terms energy: -617.538079
where:
bonds (distance) C4'-P energy: -114.118
bonds (distance) P-C4' energy: -115.558
flat angles C4'-P-C4' energy: -129.067
flat angles P-C4'-P energy: -90.496
tors. eta vs tors. theta energy: -168.298
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: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1927.309505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.309505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.309505 (E_RNA)
where:
Base-Base interactions energy: -1342.252
where: short stacking energy: -545.890
Base-Backbone interact. energy: -4.695
local terms energy: -580.362101
where:
bonds (distance) C4'-P energy: -118.856
bonds (distance) P-C4' energy: -110.066
flat angles C4'-P-C4' energy: -123.963
flat angles P-C4'-P energy: -76.310
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: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1825.680060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.680060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.680060 (E_RNA)
where:
Base-Base interactions energy: -1248.491
where: short stacking energy: -531.765
Base-Backbone interact. energy: -3.311
local terms energy: -573.878010
where:
bonds (distance) C4'-P energy: -91.927
bonds (distance) P-C4' energy: -119.248
flat angles C4'-P-C4' energy: -119.123
flat angles P-C4'-P energy: -90.215
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: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1648.976545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.976545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.976545 (E_RNA)
where:
Base-Base interactions energy: -1144.331
where: short stacking energy: -483.345
Base-Backbone interact. energy: -3.321
local terms energy: -501.324482
where:
bonds (distance) C4'-P energy: -97.983
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -122.953
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -117.618
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1514.424879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.424879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.424879 (E_RNA)
where:
Base-Base interactions energy: -1004.246
where: short stacking energy: -428.056
Base-Backbone interact. energy: -1.118
local terms energy: -509.060598
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -107.389
flat angles C4'-P-C4' energy: -115.701
flat angles P-C4'-P energy: -70.278
tors. eta vs tors. theta energy: -120.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1376.317827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.317827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.317827 (E_RNA)
where:
Base-Base interactions energy: -912.891
where: short stacking energy: -425.258
Base-Backbone interact. energy: 0.893
local terms energy: -464.319521
where:
bonds (distance) C4'-P energy: -91.994
bonds (distance) P-C4' energy: -110.634
flat angles C4'-P-C4' energy: -105.081
flat angles P-C4'-P energy: -71.933
tors. eta vs tors. theta energy: -84.677
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: 325
Temperature: 1.250000
Total energy: -1227.157619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.157619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.157619 (E_RNA)
where:
Base-Base interactions energy: -799.281
where: short stacking energy: -361.905
Base-Backbone interact. energy: 0.631
local terms energy: -428.507449
where:
bonds (distance) C4'-P energy: -82.601
bonds (distance) P-C4' energy: -102.158
flat angles C4'-P-C4' energy: -98.515
flat angles P-C4'-P energy: -64.116
tors. eta vs tors. theta energy: -81.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -858.542134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.542134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.542134 (E_RNA)
where:
Base-Base interactions energy: -484.676
where: short stacking energy: -237.649
Base-Backbone interact. energy: 2.090
local terms energy: -375.956227
where:
bonds (distance) C4'-P energy: -88.847
bonds (distance) P-C4' energy: -114.608
flat angles C4'-P-C4' energy: -96.734
flat angles P-C4'-P energy: -50.859
tors. eta vs tors. theta energy: -24.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -543.583004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.583004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.583004 (E_RNA)
where:
Base-Base interactions energy: -222.952
where: short stacking energy: -139.117
Base-Backbone interact. energy: 0.918
local terms energy: -321.548871
where:
bonds (distance) C4'-P energy: -89.514
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -92.065
flat angles P-C4'-P energy: -57.308
tors. eta vs tors. theta energy: 19.695
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2057.135607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.135607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.135607 (E_RNA)
where:
Base-Base interactions energy: -1446.890
where: short stacking energy: -555.100
Base-Backbone interact. energy: -3.589
local terms energy: -606.656540
where:
bonds (distance) C4'-P energy: -117.154
bonds (distance) P-C4' energy: -109.223
flat angles C4'-P-C4' energy: -131.575
flat angles P-C4'-P energy: -92.869
tors. eta vs tors. theta energy: -155.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2003.457498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.457498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.457498 (E_RNA)
where:
Base-Base interactions energy: -1400.490
where: short stacking energy: -574.898
Base-Backbone interact. energy: 0.055
local terms energy: -603.021810
where:
bonds (distance) C4'-P energy: -100.418
bonds (distance) P-C4' energy: -110.982
flat angles C4'-P-C4' energy: -132.519
flat angles P-C4'-P energy: -94.363
tors. eta vs tors. theta energy: -164.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1931.108306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.108306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.108306 (E_RNA)
where:
Base-Base interactions energy: -1359.291
where: short stacking energy: -519.342
Base-Backbone interact. energy: -6.029
local terms energy: -565.788262
where:
bonds (distance) C4'-P energy: -104.311
bonds (distance) P-C4' energy: -98.804
flat angles C4'-P-C4' energy: -120.303
flat angles P-C4'-P energy: -86.884
tors. eta vs tors. theta energy: -155.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1778.276913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.276913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.276913 (E_RNA)
where:
Base-Base interactions energy: -1230.882
where: short stacking energy: -509.635
Base-Backbone interact. energy: -3.383
local terms energy: -544.012711
where:
bonds (distance) C4'-P energy: -106.360
bonds (distance) P-C4' energy: -102.409
flat angles C4'-P-C4' energy: -116.006
flat angles P-C4'-P energy: -73.945
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: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1677.676067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.676067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.676067 (E_RNA)
where:
Base-Base interactions energy: -1137.105
where: short stacking energy: -478.606
Base-Backbone interact. energy: -0.479
local terms energy: -540.092990
where:
bonds (distance) C4'-P energy: -112.988
bonds (distance) P-C4' energy: -111.482
flat angles C4'-P-C4' energy: -112.015
flat angles P-C4'-P energy: -67.779
tors. eta vs tors. theta energy: -135.829
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: 326
Temperature: 1.150000
Total energy: -1461.547997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.547997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.547997 (E_RNA)
where:
Base-Base interactions energy: -988.539
where: short stacking energy: -438.369
Base-Backbone interact. energy: -4.211
local terms energy: -468.798319
where:
bonds (distance) C4'-P energy: -95.624
bonds (distance) P-C4' energy: -89.939
flat angles C4'-P-C4' energy: -106.144
flat angles P-C4'-P energy: -67.516
tors. eta vs tors. theta energy: -109.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1404.181549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.181549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.181549 (E_RNA)
where:
Base-Base interactions energy: -943.020
where: short stacking energy: -409.029
Base-Backbone interact. energy: -2.551
local terms energy: -458.610479
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -98.750
flat angles C4'-P-C4' energy: -103.713
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -89.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1190.545685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.545685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.545685 (E_RNA)
where:
Base-Base interactions energy: -773.517
where: short stacking energy: -328.496
Base-Backbone interact. energy: 6.246
local terms energy: -423.275276
where:
bonds (distance) C4'-P energy: -103.246
bonds (distance) P-C4' energy: -96.913
flat angles C4'-P-C4' energy: -98.500
flat angles P-C4'-P energy: -64.379
tors. eta vs tors. theta energy: -60.237
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: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -794.770773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.770773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.770773 (E_RNA)
where:
Base-Base interactions energy: -473.421
where: short stacking energy: -223.218
Base-Backbone interact. energy: 0.212
local terms energy: -321.562670
where:
bonds (distance) C4'-P energy: -94.744
bonds (distance) P-C4' energy: -93.112
flat angles C4'-P-C4' energy: -65.113
flat angles P-C4'-P energy: -50.793
tors. eta vs tors. theta energy: -17.801
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: 326
Temperature: 1.350000
Total energy: -561.148424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.148424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.148424 (E_RNA)
where:
Base-Base interactions energy: -256.186
where: short stacking energy: -164.479
Base-Backbone interact. energy: -3.412
local terms energy: -301.550838
where:
bonds (distance) C4'-P energy: -90.013
bonds (distance) P-C4' energy: -102.833
flat angles C4'-P-C4' energy: -87.783
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: 4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2046.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.444798 (E_RNA)
where:
Base-Base interactions energy: -1446.755
where: short stacking energy: -576.951
Base-Backbone interact. energy: -0.543
local terms energy: -599.147525
where:
bonds (distance) C4'-P energy: -113.464
bonds (distance) P-C4' energy: -103.853
flat angles C4'-P-C4' energy: -132.946
flat angles P-C4'-P energy: -96.477
tors. eta vs tors. theta energy: -152.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1989.267637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.267637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.267637 (E_RNA)
where:
Base-Base interactions energy: -1399.575
where: short stacking energy: -593.367
Base-Backbone interact. energy: 0.485
local terms energy: -590.177004
where:
bonds (distance) C4'-P energy: -106.127
bonds (distance) P-C4' energy: -108.827
flat angles C4'-P-C4' energy: -121.902
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -173.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1956.240688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.240688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.240688 (E_RNA)
where:
Base-Base interactions energy: -1354.202
where: short stacking energy: -547.908
Base-Backbone interact. energy: -0.784
local terms energy: -601.254479
where:
bonds (distance) C4'-P energy: -116.674
bonds (distance) P-C4' energy: -106.476
flat angles C4'-P-C4' energy: -122.451
flat angles P-C4'-P energy: -90.317
tors. eta vs tors. theta energy: -165.337
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: 327
Temperature: 1.050000
Total energy: -1809.027299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.027299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.027299 (E_RNA)
where:
Base-Base interactions energy: -1247.129
where: short stacking energy: -504.763
Base-Backbone interact. energy: -2.218
local terms energy: -559.680098
where:
bonds (distance) C4'-P energy: -106.073
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -113.148
flat angles P-C4'-P energy: -79.646
tors. eta vs tors. theta energy: -148.891
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: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1631.948981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.948981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.948981 (E_RNA)
where:
Base-Base interactions energy: -1108.485
where: short stacking energy: -469.796
Base-Backbone interact. energy: -4.689
local terms energy: -518.774522
where:
bonds (distance) C4'-P energy: -101.304
bonds (distance) P-C4' energy: -93.755
flat angles C4'-P-C4' energy: -118.010
flat angles P-C4'-P energy: -77.515
tors. eta vs tors. theta energy: -128.190
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: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1449.985893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.985893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.985893 (E_RNA)
where:
Base-Base interactions energy: -962.532
where: short stacking energy: -421.696
Base-Backbone interact. energy: -1.043
local terms energy: -486.411464
where:
bonds (distance) C4'-P energy: -102.073
bonds (distance) P-C4' energy: -112.448
flat angles C4'-P-C4' energy: -98.714
flat angles P-C4'-P energy: -71.597
tors. eta vs tors. theta energy: -101.579
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: 327
Temperature: 1.200000
Total energy: -1391.040256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.040256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.040256 (E_RNA)
where:
Base-Base interactions energy: -948.909
where: short stacking energy: -429.178
Base-Backbone interact. energy: 1.486
local terms energy: -443.616817
where:
bonds (distance) C4'-P energy: -84.947
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -105.159
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -103.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1219.365702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.365702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.365702 (E_RNA)
where:
Base-Base interactions energy: -798.116
where: short stacking energy: -348.459
Base-Backbone interact. energy: 2.823
local terms energy: -424.073307
where:
bonds (distance) C4'-P energy: -110.829
bonds (distance) P-C4' energy: -88.080
flat angles C4'-P-C4' energy: -103.808
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -68.738
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: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -834.997681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.997681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.997681 (E_RNA)
where:
Base-Base interactions energy: -492.968
where: short stacking energy: -272.215
Base-Backbone interact. energy: 0.480
local terms energy: -342.509534
where:
bonds (distance) C4'-P energy: -98.783
bonds (distance) P-C4' energy: -87.478
flat angles C4'-P-C4' energy: -70.293
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -29.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -569.284611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.284611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.284611 (E_RNA)
where:
Base-Base interactions energy: -279.773
where: short stacking energy: -166.344
Base-Backbone interact. energy: 3.322
local terms energy: -292.832980
where:
bonds (distance) C4'-P energy: -102.734
bonds (distance) P-C4' energy: -90.318
flat angles C4'-P-C4' energy: -65.065
flat angles P-C4'-P energy: -54.473
tors. eta vs tors. theta energy: 19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2045.446251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.446251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.446251 (E_RNA)
where:
Base-Base interactions energy: -1449.218
where: short stacking energy: -578.383
Base-Backbone interact. energy: -3.477
local terms energy: -592.750860
where:
bonds (distance) C4'-P energy: -106.490
bonds (distance) P-C4' energy: -107.833
flat angles C4'-P-C4' energy: -136.100
flat angles P-C4'-P energy: -81.495
tors. eta vs tors. theta energy: -160.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1981.272872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.272872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.272872 (E_RNA)
where:
Base-Base interactions energy: -1414.538
where: short stacking energy: -570.718
Base-Backbone interact. energy: -2.165
local terms energy: -564.569799
where:
bonds (distance) C4'-P energy: -101.870
bonds (distance) P-C4' energy: -98.701
flat angles C4'-P-C4' energy: -117.525
flat angles P-C4'-P energy: -79.886
tors. eta vs tors. theta energy: -166.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1957.913148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.913148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.913148 (E_RNA)
where:
Base-Base interactions energy: -1355.352
where: short stacking energy: -569.489
Base-Backbone interact. energy: -3.009
local terms energy: -599.551479
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -120.711
flat angles C4'-P-C4' energy: -131.954
flat angles P-C4'-P energy: -66.102
tors. eta vs tors. theta energy: -168.828
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: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1811.348380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.348380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.348380 (E_RNA)
where:
Base-Base interactions energy: -1239.017
where: short stacking energy: -527.631
Base-Backbone interact. energy: -1.869
local terms energy: -570.462711
where:
bonds (distance) C4'-P energy: -112.683
bonds (distance) P-C4' energy: -106.773
flat angles C4'-P-C4' energy: -110.412
flat angles P-C4'-P energy: -83.892
tors. eta vs tors. theta energy: -156.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1632.528023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.528023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.528023 (E_RNA)
where:
Base-Base interactions energy: -1112.951
where: short stacking energy: -472.926
Base-Backbone interact. energy: -0.862
local terms energy: -518.714371
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -95.925
flat angles C4'-P-C4' energy: -95.870
flat angles P-C4'-P energy: -78.986
tors. eta vs tors. theta energy: -129.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1441.520933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.520933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.520933 (E_RNA)
where:
Base-Base interactions energy: -939.820
where: short stacking energy: -420.505
Base-Backbone interact. energy: -2.151
local terms energy: -499.550724
where:
bonds (distance) C4'-P energy: -94.193
bonds (distance) P-C4' energy: -99.924
flat angles C4'-P-C4' energy: -109.220
flat angles P-C4'-P energy: -83.325
tors. eta vs tors. theta energy: -112.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1392.359250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.359250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.359250 (E_RNA)
where:
Base-Base interactions energy: -923.924
where: short stacking energy: -388.616
Base-Backbone interact. energy: -1.679
local terms energy: -466.756060
where:
bonds (distance) C4'-P energy: -88.179
bonds (distance) P-C4' energy: -112.996
flat angles C4'-P-C4' energy: -104.139
flat angles P-C4'-P energy: -65.829
tors. eta vs tors. theta energy: -95.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1193.400946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.400946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.400946 (E_RNA)
where:
Base-Base interactions energy: -796.844
where: short stacking energy: -347.630
Base-Backbone interact. energy: -3.827
local terms energy: -392.730084
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -90.425
flat angles C4'-P-C4' energy: -97.869
flat angles P-C4'-P energy: -53.689
tors. eta vs tors. theta energy: -59.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -859.607790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.607790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.607790 (E_RNA)
where:
Base-Base interactions energy: -503.795
where: short stacking energy: -238.694
Base-Backbone interact. energy: -1.594
local terms energy: -354.218396
where:
bonds (distance) C4'-P energy: -110.379
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -77.488
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -580.299559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.299559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.299559 (E_RNA)
where:
Base-Base interactions energy: -288.060
where: short stacking energy: -178.442
Base-Backbone interact. energy: -2.353
local terms energy: -289.886052
where:
bonds (distance) C4'-P energy: -82.989
bonds (distance) P-C4' energy: -89.254
flat angles C4'-P-C4' energy: -80.752
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: 6.090
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: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2050.929369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.929369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.929369 (E_RNA)
where:
Base-Base interactions energy: -1471.015
where: short stacking energy: -568.341
Base-Backbone interact. energy: 1.302
local terms energy: -581.216029
where:
bonds (distance) C4'-P energy: -97.943
bonds (distance) P-C4' energy: -118.458
flat angles C4'-P-C4' energy: -127.080
flat angles P-C4'-P energy: -84.554
tors. eta vs tors. theta energy: -153.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1972.911061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.911061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.911061 (E_RNA)
where:
Base-Base interactions energy: -1380.331
where: short stacking energy: -584.441
Base-Backbone interact. energy: -1.637
local terms energy: -590.943353
where:
bonds (distance) C4'-P energy: -100.359
bonds (distance) P-C4' energy: -106.401
flat angles C4'-P-C4' energy: -135.697
flat angles P-C4'-P energy: -79.964
tors. eta vs tors. theta energy: -168.524
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: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1921.049764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.049764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.049764 (E_RNA)
where:
Base-Base interactions energy: -1329.534
where: short stacking energy: -536.587
Base-Backbone interact. energy: -3.775
local terms energy: -587.741015
where:
bonds (distance) C4'-P energy: -116.632
bonds (distance) P-C4' energy: -115.341
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -159.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1809.069893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.069893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.069893 (E_RNA)
where:
Base-Base interactions energy: -1242.583
where: short stacking energy: -523.954
Base-Backbone interact. energy: -6.076
local terms energy: -560.410786
where:
bonds (distance) C4'-P energy: -98.834
bonds (distance) P-C4' energy: -117.497
flat angles C4'-P-C4' energy: -117.216
flat angles P-C4'-P energy: -76.292
tors. eta vs tors. theta energy: -150.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1650.152511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.152511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.152511 (E_RNA)
where:
Base-Base interactions energy: -1118.581
where: short stacking energy: -473.942
Base-Backbone interact. energy: 0.206
local terms energy: -531.777770
where:
bonds (distance) C4'-P energy: -98.181
bonds (distance) P-C4' energy: -115.019
flat angles C4'-P-C4' energy: -98.933
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -145.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1464.880762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.880762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.880762 (E_RNA)
where:
Base-Base interactions energy: -959.420
where: short stacking energy: -418.364
Base-Backbone interact. energy: -0.885
local terms energy: -504.576418
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -117.494
flat angles C4'-P-C4' energy: -108.771
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -105.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1445.554353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.554353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.554353 (E_RNA)
where:
Base-Base interactions energy: -963.156
where: short stacking energy: -384.530
Base-Backbone interact. energy: -0.856
local terms energy: -481.542080
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -95.620
flat angles C4'-P-C4' energy: -115.647
flat angles P-C4'-P energy: -65.196
tors. eta vs tors. theta energy: -102.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1255.100895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.100895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.100895 (E_RNA)
where:
Base-Base interactions energy: -803.168
where: short stacking energy: -354.072
Base-Backbone interact. energy: 1.068
local terms energy: -453.000491
where:
bonds (distance) C4'-P energy: -101.568
bonds (distance) P-C4' energy: -106.452
flat angles C4'-P-C4' energy: -104.095
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -71.978
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: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -914.233210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.233210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.233210 (E_RNA)
where:
Base-Base interactions energy: -533.422
where: short stacking energy: -252.799
Base-Backbone interact. energy: -3.584
local terms energy: -377.227223
where:
bonds (distance) C4'-P energy: -100.365
bonds (distance) P-C4' energy: -99.807
flat angles C4'-P-C4' energy: -91.425
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -536.218574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.218574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.218574 (E_RNA)
where:
Base-Base interactions energy: -228.674
where: short stacking energy: -159.320
Base-Backbone interact. energy: 1.783
local terms energy: -309.327656
where:
bonds (distance) C4'-P energy: -90.721
bonds (distance) P-C4' energy: -97.291
flat angles C4'-P-C4' energy: -78.775
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2056.249479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.249479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.249479 (E_RNA)
where:
Base-Base interactions energy: -1430.680
where: short stacking energy: -577.035
Base-Backbone interact. energy: -4.895
local terms energy: -620.674644
where:
bonds (distance) C4'-P energy: -123.682
bonds (distance) P-C4' energy: -119.615
flat angles C4'-P-C4' energy: -127.503
flat angles P-C4'-P energy: -93.760
tors. eta vs tors. theta energy: -156.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1981.873709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.873709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.873709 (E_RNA)
where:
Base-Base interactions energy: -1366.721
where: short stacking energy: -562.171
Base-Backbone interact. energy: 0.730
local terms energy: -615.882498
where:
bonds (distance) C4'-P energy: -109.063
bonds (distance) P-C4' energy: -115.150
flat angles C4'-P-C4' energy: -122.656
flat angles P-C4'-P energy: -91.695
tors. eta vs tors. theta energy: -177.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1936.699289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.699289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.699289 (E_RNA)
where:
Base-Base interactions energy: -1350.513
where: short stacking energy: -530.159
Base-Backbone interact. energy: -1.151
local terms energy: -585.035363
where:
bonds (distance) C4'-P energy: -121.094
bonds (distance) P-C4' energy: -104.116
flat angles C4'-P-C4' energy: -118.578
flat angles P-C4'-P energy: -86.574
tors. eta vs tors. theta energy: -154.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1818.298381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.298381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.298381 (E_RNA)
where:
Base-Base interactions energy: -1224.991
where: short stacking energy: -506.526
Base-Backbone interact. energy: 1.330
local terms energy: -594.637005
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -121.098
flat angles C4'-P-C4' energy: -121.440
flat angles P-C4'-P energy: -87.221
tors. eta vs tors. theta energy: -150.641
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: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1615.378217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.378217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.378217 (E_RNA)
where:
Base-Base interactions energy: -1097.329
where: short stacking energy: -448.121
Base-Backbone interact. energy: -3.132
local terms energy: -514.916930
where:
bonds (distance) C4'-P energy: -88.243
bonds (distance) P-C4' energy: -110.590
flat angles C4'-P-C4' energy: -120.130
flat angles P-C4'-P energy: -86.221
tors. eta vs tors. theta energy: -109.733
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: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1473.119419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.119419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.119419 (E_RNA)
where:
Base-Base interactions energy: -962.420
where: short stacking energy: -442.696
Base-Backbone interact. energy: 1.923
local terms energy: -512.622322
where:
bonds (distance) C4'-P energy: -106.419
bonds (distance) P-C4' energy: -101.900
flat angles C4'-P-C4' energy: -121.650
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -112.374
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: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1443.508542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.508542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.508542 (E_RNA)
where:
Base-Base interactions energy: -984.579
where: short stacking energy: -428.530
Base-Backbone interact. energy: 2.011
local terms energy: -460.940086
where:
bonds (distance) C4'-P energy: -114.087
bonds (distance) P-C4' energy: -95.639
flat angles C4'-P-C4' energy: -97.702
flat angles P-C4'-P energy: -55.782
tors. eta vs tors. theta energy: -97.729
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: 330
Temperature: 1.250000
Total energy: -1197.138276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.138276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.138276 (E_RNA)
where:
Base-Base interactions energy: -765.115
where: short stacking energy: -357.499
Base-Backbone interact. energy: 3.065
local terms energy: -435.087832
where:
bonds (distance) C4'-P energy: -97.015
bonds (distance) P-C4' energy: -90.835
flat angles C4'-P-C4' energy: -104.736
flat angles P-C4'-P energy: -64.107
tors. eta vs tors. theta energy: -78.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -932.843041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.843041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.843041 (E_RNA)
where:
Base-Base interactions energy: -575.501
where: short stacking energy: -277.232
Base-Backbone interact. energy: 4.817
local terms energy: -362.159928
where:
bonds (distance) C4'-P energy: -92.601
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -80.714
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -38.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -580.248575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.248575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.248575 (E_RNA)
where:
Base-Base interactions energy: -255.492
where: short stacking energy: -174.540
Base-Backbone interact. energy: 3.768
local terms energy: -328.524590
where:
bonds (distance) C4'-P energy: -107.002
bonds (distance) P-C4' energy: -83.327
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2078.514796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.514796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.514796 (E_RNA)
where:
Base-Base interactions energy: -1461.218
where: short stacking energy: -588.251
Base-Backbone interact. energy: 0.303
local terms energy: -617.599282
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -118.708
flat angles C4'-P-C4' energy: -138.718
flat angles P-C4'-P energy: -81.369
tors. eta vs tors. theta energy: -170.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2015.872168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.872168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.872168 (E_RNA)
where:
Base-Base interactions energy: -1405.609
where: short stacking energy: -574.143
Base-Backbone interact. energy: -3.168
local terms energy: -607.095733
where:
bonds (distance) C4'-P energy: -112.930
bonds (distance) P-C4' energy: -108.765
flat angles C4'-P-C4' energy: -127.696
flat angles P-C4'-P energy: -94.174
tors. eta vs tors. theta energy: -163.531
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1941.085711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.085711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.085711 (E_RNA)
where:
Base-Base interactions energy: -1352.901
where: short stacking energy: -549.517
Base-Backbone interact. energy: -2.574
local terms energy: -585.610410
where:
bonds (distance) C4'-P energy: -97.042
bonds (distance) P-C4' energy: -122.170
flat angles C4'-P-C4' energy: -116.567
flat angles P-C4'-P energy: -82.446
tors. eta vs tors. theta energy: -167.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1827.145278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.145278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.145278 (E_RNA)
where:
Base-Base interactions energy: -1246.540
where: short stacking energy: -528.952
Base-Backbone interact. energy: -3.290
local terms energy: -577.315758
where:
bonds (distance) C4'-P energy: -121.930
bonds (distance) P-C4' energy: -103.813
flat angles C4'-P-C4' energy: -121.526
flat angles P-C4'-P energy: -79.242
tors. eta vs tors. theta energy: -150.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1626.337018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.337018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.337018 (E_RNA)
where:
Base-Base interactions energy: -1111.925
where: short stacking energy: -471.194
Base-Backbone interact. energy: 0.251
local terms energy: -514.662974
where:
bonds (distance) C4'-P energy: -84.923
bonds (distance) P-C4' energy: -107.830
flat angles C4'-P-C4' energy: -116.526
flat angles P-C4'-P energy: -83.815
tors. eta vs tors. theta energy: -121.570
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: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1479.334443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.334443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.334443 (E_RNA)
where:
Base-Base interactions energy: -978.572
where: short stacking energy: -437.293
Base-Backbone interact. energy: 2.184
local terms energy: -502.946904
where:
bonds (distance) C4'-P energy: -102.530
bonds (distance) P-C4' energy: -97.157
flat angles C4'-P-C4' energy: -121.462
flat angles P-C4'-P energy: -66.514
tors. eta vs tors. theta energy: -115.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1407.317109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.317109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.317109 (E_RNA)
where:
Base-Base interactions energy: -917.377
where: short stacking energy: -428.919
Base-Backbone interact. energy: -0.753
local terms energy: -489.186628
where:
bonds (distance) C4'-P energy: -102.310
bonds (distance) P-C4' energy: -92.818
flat angles C4'-P-C4' energy: -103.725
flat angles P-C4'-P energy: -71.111
tors. eta vs tors. theta energy: -119.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1247.868409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.868409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.868409 (E_RNA)
where:
Base-Base interactions energy: -816.494
where: short stacking energy: -351.263
Base-Backbone interact. energy: -1.502
local terms energy: -429.871875
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -93.047
flat angles C4'-P-C4' energy: -101.785
flat angles P-C4'-P energy: -71.655
tors. eta vs tors. theta energy: -75.487
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: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -957.984191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.984191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.984191 (E_RNA)
where:
Base-Base interactions energy: -578.848
where: short stacking energy: -276.894
Base-Backbone interact. energy: -2.088
local terms energy: -377.048258
where:
bonds (distance) C4'-P energy: -72.861
bonds (distance) P-C4' energy: -102.343
flat angles C4'-P-C4' energy: -99.294
flat angles P-C4'-P energy: -63.088
tors. eta vs tors. theta energy: -39.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -562.918833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.918833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.918833 (E_RNA)
where:
Base-Base interactions energy: -258.675
where: short stacking energy: -173.943
Base-Backbone interact. energy: 0.415
local terms energy: -304.658548
where:
bonds (distance) C4'-P energy: -84.460
bonds (distance) P-C4' energy: -92.539
flat angles C4'-P-C4' energy: -89.873
flat angles P-C4'-P energy: -46.542
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2072.263502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.263502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.263502 (E_RNA)
where:
Base-Base interactions energy: -1443.133
where: short stacking energy: -557.829
Base-Backbone interact. energy: -1.120
local terms energy: -628.009939
where:
bonds (distance) C4'-P energy: -114.240
bonds (distance) P-C4' energy: -116.376
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -93.021
tors. eta vs tors. theta energy: -172.441
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2011.258663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.258663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.258663 (E_RNA)
where:
Base-Base interactions energy: -1385.450
where: short stacking energy: -581.037
Base-Backbone interact. energy: -2.898
local terms energy: -622.910777
where:
bonds (distance) C4'-P energy: -113.127
bonds (distance) P-C4' energy: -119.660
flat angles C4'-P-C4' energy: -112.645
flat angles P-C4'-P energy: -99.294
tors. eta vs tors. theta energy: -178.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1918.765862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.765862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.765862 (E_RNA)
where:
Base-Base interactions energy: -1343.877
where: short stacking energy: -570.969
Base-Backbone interact. energy: -1.990
local terms energy: -572.899407
where:
bonds (distance) C4'-P energy: -92.976
bonds (distance) P-C4' energy: -104.021
flat angles C4'-P-C4' energy: -133.495
flat angles P-C4'-P energy: -85.008
tors. eta vs tors. theta energy: -157.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1823.548753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.548753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.548753 (E_RNA)
where:
Base-Base interactions energy: -1257.295
where: short stacking energy: -528.918
Base-Backbone interact. energy: -3.181
local terms energy: -563.072815
where:
bonds (distance) C4'-P energy: -117.826
bonds (distance) P-C4' energy: -104.780
flat angles C4'-P-C4' energy: -118.189
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -140.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1616.990721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.990721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.990721 (E_RNA)
where:
Base-Base interactions energy: -1103.405
where: short stacking energy: -470.759
Base-Backbone interact. energy: -3.311
local terms energy: -510.273954
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -106.262
flat angles C4'-P-C4' energy: -107.095
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -131.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1500.544375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.544375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.544375 (E_RNA)
where:
Base-Base interactions energy: -1036.320
where: short stacking energy: -453.852
Base-Backbone interact. energy: -4.105
local terms energy: -460.119072
where:
bonds (distance) C4'-P energy: -105.925
bonds (distance) P-C4' energy: -89.507
flat angles C4'-P-C4' energy: -117.612
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -99.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1369.144857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.144857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.144857 (E_RNA)
where:
Base-Base interactions energy: -907.163
where: short stacking energy: -389.364
Base-Backbone interact. energy: 1.383
local terms energy: -463.364571
where:
bonds (distance) C4'-P energy: -100.068
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -94.973
flat angles P-C4'-P energy: -75.539
tors. eta vs tors. theta energy: -90.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1305.238160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.238160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.238160 (E_RNA)
where:
Base-Base interactions energy: -874.680
where: short stacking energy: -383.040
Base-Backbone interact. energy: 0.636
local terms energy: -431.194782
where:
bonds (distance) C4'-P energy: -81.330
bonds (distance) P-C4' energy: -101.112
flat angles C4'-P-C4' energy: -102.596
flat angles P-C4'-P energy: -60.639
tors. eta vs tors. theta energy: -85.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -948.235599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.235599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.235599 (E_RNA)
where:
Base-Base interactions energy: -558.973
where: short stacking energy: -254.132
Base-Backbone interact. energy: 2.753
local terms energy: -392.016164
where:
bonds (distance) C4'-P energy: -98.844
bonds (distance) P-C4' energy: -98.913
flat angles C4'-P-C4' energy: -94.171
flat angles P-C4'-P energy: -61.090
tors. eta vs tors. theta energy: -38.998
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: 332
Temperature: 1.350000
Total energy: -571.663598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.663598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.663598 (E_RNA)
where:
Base-Base interactions energy: -275.852
where: short stacking energy: -174.730
Base-Backbone interact. energy: -1.456
local terms energy: -294.355912
where:
bonds (distance) C4'-P energy: -95.459
bonds (distance) P-C4' energy: -97.272
flat angles C4'-P-C4' energy: -81.722
flat angles P-C4'-P energy: -47.730
tors. eta vs tors. theta energy: 27.826
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2093.526349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.526349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.526349 (E_RNA)
where:
Base-Base interactions energy: -1451.789
where: short stacking energy: -602.346
Base-Backbone interact. energy: -3.425
local terms energy: -638.312319
where:
bonds (distance) C4'-P energy: -115.844
bonds (distance) P-C4' energy: -114.578
flat angles C4'-P-C4' energy: -137.239
flat angles P-C4'-P energy: -94.884
tors. eta vs tors. theta energy: -175.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2000.356188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.356188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.356188 (E_RNA)
where:
Base-Base interactions energy: -1387.049
where: short stacking energy: -592.977
Base-Backbone interact. energy: -2.088
local terms energy: -611.219838
where:
bonds (distance) C4'-P energy: -115.413
bonds (distance) P-C4' energy: -116.188
flat angles C4'-P-C4' energy: -127.610
flat angles P-C4'-P energy: -72.774
tors. eta vs tors. theta energy: -179.234
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: 333
Temperature: 1.000000
Total energy: -1898.813987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.813987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.813987 (E_RNA)
where:
Base-Base interactions energy: -1318.800
where: short stacking energy: -562.273
Base-Backbone interact. energy: -3.513
local terms energy: -576.500461
where:
bonds (distance) C4'-P energy: -105.649
bonds (distance) P-C4' energy: -117.853
flat angles C4'-P-C4' energy: -128.242
flat angles P-C4'-P energy: -78.939
tors. eta vs tors. theta energy: -145.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1819.073774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.073774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.073774 (E_RNA)
where:
Base-Base interactions energy: -1251.056
where: short stacking energy: -518.309
Base-Backbone interact. energy: -3.376
local terms energy: -564.641754
where:
bonds (distance) C4'-P energy: -108.702
bonds (distance) P-C4' energy: -105.806
flat angles C4'-P-C4' energy: -123.072
flat angles P-C4'-P energy: -76.570
tors. eta vs tors. theta energy: -150.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1640.410184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.410184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.410184 (E_RNA)
where:
Base-Base interactions energy: -1120.012
where: short stacking energy: -499.788
Base-Backbone interact. energy: -2.127
local terms energy: -518.271012
where:
bonds (distance) C4'-P energy: -85.784
bonds (distance) P-C4' energy: -112.826
flat angles C4'-P-C4' energy: -117.245
flat angles P-C4'-P energy: -72.027
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: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1475.663385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.663385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.663385 (E_RNA)
where:
Base-Base interactions energy: -959.395
where: short stacking energy: -446.907
Base-Backbone interact. energy: -3.928
local terms energy: -512.340337
where:
bonds (distance) C4'-P energy: -107.020
bonds (distance) P-C4' energy: -106.546
flat angles C4'-P-C4' energy: -110.699
flat angles P-C4'-P energy: -67.481
tors. eta vs tors. theta energy: -120.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1378.083156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.083156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.083156 (E_RNA)
where:
Base-Base interactions energy: -920.236
where: short stacking energy: -400.854
Base-Backbone interact. energy: -1.404
local terms energy: -456.443666
where:
bonds (distance) C4'-P energy: -105.152
bonds (distance) P-C4' energy: -105.190
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -102.687
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: 333
Temperature: 1.250000
Total energy: -1299.573839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.573839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.573839 (E_RNA)
where:
Base-Base interactions energy: -811.544
where: short stacking energy: -370.340
Base-Backbone interact. energy: -2.774
local terms energy: -485.256375
where:
bonds (distance) C4'-P energy: -102.864
bonds (distance) P-C4' energy: -118.345
flat angles C4'-P-C4' energy: -114.760
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -92.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1045.283779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.283779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.283779 (E_RNA)
where:
Base-Base interactions energy: -656.910
where: short stacking energy: -316.396
Base-Backbone interact. energy: -1.639
local terms energy: -386.734825
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -91.942
flat angles C4'-P-C4' energy: -110.245
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -38.250
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -619.596103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.596103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.596103 (E_RNA)
where:
Base-Base interactions energy: -300.803
where: short stacking energy: -184.487
Base-Backbone interact. energy: 0.559
local terms energy: -319.352421
where:
bonds (distance) C4'-P energy: -90.647
bonds (distance) P-C4' energy: -103.919
flat angles C4'-P-C4' energy: -74.487
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2096.115523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.115523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.115523 (E_RNA)
where:
Base-Base interactions energy: -1481.314
where: short stacking energy: -594.003
Base-Backbone interact. energy: -1.181
local terms energy: -613.620589
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -118.291
flat angles C4'-P-C4' energy: -135.066
flat angles P-C4'-P energy: -86.981
tors. eta vs tors. theta energy: -171.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2016.427647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.427647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.427647 (E_RNA)
where:
Base-Base interactions energy: -1408.648
where: short stacking energy: -583.049
Base-Backbone interact. energy: -4.404
local terms energy: -603.375443
where:
bonds (distance) C4'-P energy: -106.544
bonds (distance) P-C4' energy: -108.260
flat angles C4'-P-C4' energy: -136.045
flat angles P-C4'-P energy: -79.035
tors. eta vs tors. theta energy: -173.491
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: 334
Temperature: 1.000000
Total energy: -1923.395058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.395058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.395058 (E_RNA)
where:
Base-Base interactions energy: -1337.270
where: short stacking energy: -549.323
Base-Backbone interact. energy: -0.097
local terms energy: -586.028647
where:
bonds (distance) C4'-P energy: -112.596
bonds (distance) P-C4' energy: -121.972
flat angles C4'-P-C4' energy: -125.136
flat angles P-C4'-P energy: -67.273
tors. eta vs tors. theta energy: -159.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1804.911654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.911654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.911654 (E_RNA)
where:
Base-Base interactions energy: -1227.970
where: short stacking energy: -502.984
Base-Backbone interact. energy: -6.388
local terms energy: -570.553307
where:
bonds (distance) C4'-P energy: -109.516
bonds (distance) P-C4' energy: -110.147
flat angles C4'-P-C4' energy: -125.048
flat angles P-C4'-P energy: -82.168
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: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1674.378749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.378749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.378749 (E_RNA)
where:
Base-Base interactions energy: -1147.770
where: short stacking energy: -498.010
Base-Backbone interact. energy: 4.159
local terms energy: -530.768654
where:
bonds (distance) C4'-P energy: -98.947
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -120.907
flat angles P-C4'-P energy: -78.469
tors. eta vs tors. theta energy: -133.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1462.641998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.641998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.641998 (E_RNA)
where:
Base-Base interactions energy: -980.847
where: short stacking energy: -455.503
Base-Backbone interact. energy: 1.161
local terms energy: -482.956405
where:
bonds (distance) C4'-P energy: -91.275
bonds (distance) P-C4' energy: -97.256
flat angles C4'-P-C4' energy: -114.725
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -106.330
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: 334
Temperature: 1.200000
Total energy: -1324.265052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.265052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.265052 (E_RNA)
where:
Base-Base interactions energy: -860.341
where: short stacking energy: -368.107
Base-Backbone interact. energy: 0.662
local terms energy: -464.586072
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -109.591
flat angles C4'-P-C4' energy: -107.121
flat angles P-C4'-P energy: -64.134
tors. eta vs tors. theta energy: -94.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1314.680634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.680634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.680634 (E_RNA)
where:
Base-Base interactions energy: -881.643
where: short stacking energy: -382.825
Base-Backbone interact. energy: -3.362
local terms energy: -429.675563
where:
bonds (distance) C4'-P energy: -93.596
bonds (distance) P-C4' energy: -82.321
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -66.681
tors. eta vs tors. theta energy: -87.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -996.940073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.940073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.940073 (E_RNA)
where:
Base-Base interactions energy: -602.623
where: short stacking energy: -291.802
Base-Backbone interact. energy: -3.694
local terms energy: -390.623227
where:
bonds (distance) C4'-P energy: -99.518
bonds (distance) P-C4' energy: -103.311
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -64.437
tors. eta vs tors. theta energy: -37.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -586.023700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.023700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.023700 (E_RNA)
where:
Base-Base interactions energy: -272.945
where: short stacking energy: -155.034
Base-Backbone interact. energy: -2.516
local terms energy: -310.562641
where:
bonds (distance) C4'-P energy: -80.051
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -87.326
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2057.058391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.058391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.058391 (E_RNA)
where:
Base-Base interactions energy: -1440.582
where: short stacking energy: -570.624
Base-Backbone interact. energy: -0.500
local terms energy: -615.976490
where:
bonds (distance) C4'-P energy: -115.765
bonds (distance) P-C4' energy: -118.107
flat angles C4'-P-C4' energy: -122.437
flat angles P-C4'-P energy: -98.358
tors. eta vs tors. theta energy: -161.309
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2018.204812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.204812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.204812 (E_RNA)
where:
Base-Base interactions energy: -1403.361
where: short stacking energy: -564.285
Base-Backbone interact. energy: -4.757
local terms energy: -610.086558
where:
bonds (distance) C4'-P energy: -116.732
bonds (distance) P-C4' energy: -116.295
flat angles C4'-P-C4' energy: -130.318
flat angles P-C4'-P energy: -87.342
tors. eta vs tors. theta energy: -159.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1929.628650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.628650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.628650 (E_RNA)
where:
Base-Base interactions energy: -1343.371
where: short stacking energy: -562.471
Base-Backbone interact. energy: -0.550
local terms energy: -585.706835
where:
bonds (distance) C4'-P energy: -105.300
bonds (distance) P-C4' energy: -106.266
flat angles C4'-P-C4' energy: -129.450
flat angles P-C4'-P energy: -84.268
tors. eta vs tors. theta energy: -160.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1811.405077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.405077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.405077 (E_RNA)
where:
Base-Base interactions energy: -1241.263
where: short stacking energy: -509.234
Base-Backbone interact. energy: 0.194
local terms energy: -570.336483
where:
bonds (distance) C4'-P energy: -105.522
bonds (distance) P-C4' energy: -120.865
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -73.869
tors. eta vs tors. theta energy: -152.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1684.312428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.312428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.312428 (E_RNA)
where:
Base-Base interactions energy: -1115.819
where: short stacking energy: -461.347
Base-Backbone interact. energy: -2.168
local terms energy: -566.326110
where:
bonds (distance) C4'-P energy: -117.239
bonds (distance) P-C4' energy: -115.771
flat angles C4'-P-C4' energy: -112.613
flat angles P-C4'-P energy: -87.063
tors. eta vs tors. theta energy: -133.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1480.613300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.613300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.613300 (E_RNA)
where:
Base-Base interactions energy: -966.283
where: short stacking energy: -436.106
Base-Backbone interact. energy: -2.069
local terms energy: -512.261256
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -112.579
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -84.431
tors. eta vs tors. theta energy: -108.624
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1332.864329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.864329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.864329 (E_RNA)
where:
Base-Base interactions energy: -862.072
where: short stacking energy: -372.792
Base-Backbone interact. energy: -2.690
local terms energy: -468.103052
where:
bonds (distance) C4'-P energy: -101.680
bonds (distance) P-C4' energy: -116.640
flat angles C4'-P-C4' energy: -101.157
flat angles P-C4'-P energy: -54.479
tors. eta vs tors. theta energy: -94.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1292.638380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.638380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.638380 (E_RNA)
where:
Base-Base interactions energy: -833.497
where: short stacking energy: -381.389
Base-Backbone interact. energy: 1.914
local terms energy: -461.055313
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -102.494
flat angles P-C4'-P energy: -63.639
tors. eta vs tors. theta energy: -98.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -973.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.219777 (E_RNA)
where:
Base-Base interactions energy: -604.802
where: short stacking energy: -259.929
Base-Backbone interact. energy: 0.334
local terms energy: -368.751673
where:
bonds (distance) C4'-P energy: -105.545
bonds (distance) P-C4' energy: -89.930
flat angles C4'-P-C4' energy: -74.995
flat angles P-C4'-P energy: -65.964
tors. eta vs tors. theta energy: -32.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -553.853280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.853280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.853280 (E_RNA)
where:
Base-Base interactions energy: -236.842
where: short stacking energy: -148.997
Base-Backbone interact. energy: -0.742
local terms energy: -316.269090
where:
bonds (distance) C4'-P energy: -106.377
bonds (distance) P-C4' energy: -89.131
flat angles C4'-P-C4' energy: -88.808
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2078.801630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.801630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.801630 (E_RNA)
where:
Base-Base interactions energy: -1449.938
where: short stacking energy: -588.236
Base-Backbone interact. energy: -4.661
local terms energy: -624.203025
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -115.249
flat angles C4'-P-C4' energy: -137.773
flat angles P-C4'-P energy: -97.116
tors. eta vs tors. theta energy: -164.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2024.147834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.147834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.147834 (E_RNA)
where:
Base-Base interactions energy: -1389.618
where: short stacking energy: -559.473
Base-Backbone interact. energy: -1.769
local terms energy: -632.760143
where:
bonds (distance) C4'-P energy: -116.050
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -131.394
flat angles P-C4'-P energy: -94.911
tors. eta vs tors. theta energy: -165.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1911.330054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.330054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.330054 (E_RNA)
where:
Base-Base interactions energy: -1295.614
where: short stacking energy: -542.449
Base-Backbone interact. energy: -1.380
local terms energy: -614.336732
where:
bonds (distance) C4'-P energy: -117.772
bonds (distance) P-C4' energy: -124.482
flat angles C4'-P-C4' energy: -129.910
flat angles P-C4'-P energy: -85.364
tors. eta vs tors. theta energy: -156.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1826.263255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.263255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.263255 (E_RNA)
where:
Base-Base interactions energy: -1273.720
where: short stacking energy: -545.191
Base-Backbone interact. energy: -1.886
local terms energy: -550.657304
where:
bonds (distance) C4'-P energy: -98.747
bonds (distance) P-C4' energy: -94.010
flat angles C4'-P-C4' energy: -123.571
flat angles P-C4'-P energy: -84.650
tors. eta vs tors. theta energy: -149.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1610.908653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.908653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.908653 (E_RNA)
where:
Base-Base interactions energy: -1100.216
where: short stacking energy: -460.245
Base-Backbone interact. energy: -2.561
local terms energy: -508.131714
where:
bonds (distance) C4'-P energy: -86.563
bonds (distance) P-C4' energy: -102.023
flat angles C4'-P-C4' energy: -119.511
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -125.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1434.129470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.129470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.129470 (E_RNA)
where:
Base-Base interactions energy: -942.700
where: short stacking energy: -398.035
Base-Backbone interact. energy: -1.973
local terms energy: -489.455933
where:
bonds (distance) C4'-P energy: -100.621
bonds (distance) P-C4' energy: -83.043
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -75.640
tors. eta vs tors. theta energy: -103.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1314.623168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.623168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.623168 (E_RNA)
where:
Base-Base interactions energy: -871.907
where: short stacking energy: -378.680
Base-Backbone interact. energy: -1.568
local terms energy: -441.147915
where:
bonds (distance) C4'-P energy: -77.892
bonds (distance) P-C4' energy: -115.053
flat angles C4'-P-C4' energy: -106.971
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -84.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1244.274732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.274732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.274732 (E_RNA)
where:
Base-Base interactions energy: -817.473
where: short stacking energy: -352.173
Base-Backbone interact. energy: -1.238
local terms energy: -425.563648
where:
bonds (distance) C4'-P energy: -83.767
bonds (distance) P-C4' energy: -104.332
flat angles C4'-P-C4' energy: -95.192
flat angles P-C4'-P energy: -80.905
tors. eta vs tors. theta energy: -61.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -951.446198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.446198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.446198 (E_RNA)
where:
Base-Base interactions energy: -582.323
where: short stacking energy: -273.694
Base-Backbone interact. energy: 4.733
local terms energy: -373.856412
where:
bonds (distance) C4'-P energy: -96.743
bonds (distance) P-C4' energy: -82.078
flat angles C4'-P-C4' energy: -93.632
flat angles P-C4'-P energy: -64.881
tors. eta vs tors. theta energy: -36.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -566.439975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.439975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.439975 (E_RNA)
where:
Base-Base interactions energy: -245.416
where: short stacking energy: -143.273
Base-Backbone interact. energy: 0.807
local terms energy: -321.830768
where:
bonds (distance) C4'-P energy: -87.931
bonds (distance) P-C4' energy: -104.384
flat angles C4'-P-C4' energy: -86.718
flat angles P-C4'-P energy: -63.611
tors. eta vs tors. theta energy: 20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2069.864471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.864471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.864471 (E_RNA)
where:
Base-Base interactions energy: -1452.237
where: short stacking energy: -576.214
Base-Backbone interact. energy: -0.516
local terms energy: -617.111922
where:
bonds (distance) C4'-P energy: -117.693
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -89.571
tors. eta vs tors. theta energy: -171.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2008.664978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.664978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.664978 (E_RNA)
where:
Base-Base interactions energy: -1422.045
where: short stacking energy: -592.604
Base-Backbone interact. energy: 0.883
local terms energy: -587.502354
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -93.495
flat angles C4'-P-C4' energy: -122.113
flat angles P-C4'-P energy: -83.707
tors. eta vs tors. theta energy: -172.425
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: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1913.987864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.987864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.987864 (E_RNA)
where:
Base-Base interactions energy: -1332.920
where: short stacking energy: -550.656
Base-Backbone interact. energy: 0.748
local terms energy: -581.815058
where:
bonds (distance) C4'-P energy: -104.839
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -115.199
flat angles P-C4'-P energy: -86.575
tors. eta vs tors. theta energy: -153.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1809.327207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.327207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.327207 (E_RNA)
where:
Base-Base interactions energy: -1243.305
where: short stacking energy: -481.233
Base-Backbone interact. energy: -3.219
local terms energy: -562.803885
where:
bonds (distance) C4'-P energy: -119.192
bonds (distance) P-C4' energy: -110.439
flat angles C4'-P-C4' energy: -116.242
flat angles P-C4'-P energy: -85.485
tors. eta vs tors. theta energy: -131.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1610.972986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.972986 (E_RNA)
where:
Base-Base interactions energy: -1075.012
where: short stacking energy: -457.972
Base-Backbone interact. energy: 3.627
local terms energy: -539.587549
where:
bonds (distance) C4'-P energy: -102.504
bonds (distance) P-C4' energy: -111.341
flat angles C4'-P-C4' energy: -108.738
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -127.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1458.078679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.078679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.078679 (E_RNA)
where:
Base-Base interactions energy: -970.549
where: short stacking energy: -428.742
Base-Backbone interact. energy: 0.237
local terms energy: -487.766740
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -105.856
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -74.562
tors. eta vs tors. theta energy: -104.221
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1298.729938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.729938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.729938 (E_RNA)
where:
Base-Base interactions energy: -862.281
where: short stacking energy: -371.655
Base-Backbone interact. energy: 0.210
local terms energy: -436.659183
where:
bonds (distance) C4'-P energy: -105.219
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -94.949
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -84.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1266.817016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.817016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.817016 (E_RNA)
where:
Base-Base interactions energy: -847.194
where: short stacking energy: -366.598
Base-Backbone interact. energy: 1.237
local terms energy: -420.860169
where:
bonds (distance) C4'-P energy: -93.040
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -98.482
flat angles P-C4'-P energy: -60.623
tors. eta vs tors. theta energy: -79.943
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: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -920.654611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.654611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.654611 (E_RNA)
where:
Base-Base interactions energy: -546.750
where: short stacking energy: -247.060
Base-Backbone interact. energy: -0.272
local terms energy: -373.632552
where:
bonds (distance) C4'-P energy: -107.322
bonds (distance) P-C4' energy: -86.117
flat angles C4'-P-C4' energy: -85.451
flat angles P-C4'-P energy: -62.250
tors. eta vs tors. theta energy: -32.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -541.289237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.289237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.289237 (E_RNA)
where:
Base-Base interactions energy: -237.294
where: short stacking energy: -158.940
Base-Backbone interact. energy: -1.481
local terms energy: -302.513805
where:
bonds (distance) C4'-P energy: -95.711
bonds (distance) P-C4' energy: -91.562
flat angles C4'-P-C4' energy: -74.998
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2059.050428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.050428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.050428 (E_RNA)
where:
Base-Base interactions energy: -1431.434
where: short stacking energy: -588.779
Base-Backbone interact. energy: -1.432
local terms energy: -626.184271
where:
bonds (distance) C4'-P energy: -121.821
bonds (distance) P-C4' energy: -96.712
flat angles C4'-P-C4' energy: -141.184
flat angles P-C4'-P energy: -89.810
tors. eta vs tors. theta energy: -176.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2029.250233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.250233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.250233 (E_RNA)
where:
Base-Base interactions energy: -1418.961
where: short stacking energy: -568.064
Base-Backbone interact. energy: -3.178
local terms energy: -607.111721
where:
bonds (distance) C4'-P energy: -112.101
bonds (distance) P-C4' energy: -116.227
flat angles C4'-P-C4' energy: -118.678
flat angles P-C4'-P energy: -94.487
tors. eta vs tors. theta energy: -165.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1899.738312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.738312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.738312 (E_RNA)
where:
Base-Base interactions energy: -1295.556
where: short stacking energy: -559.670
Base-Backbone interact. energy: 1.410
local terms energy: -605.592336
where:
bonds (distance) C4'-P energy: -115.096
bonds (distance) P-C4' energy: -106.969
flat angles C4'-P-C4' energy: -140.858
flat angles P-C4'-P energy: -80.214
tors. eta vs tors. theta energy: -162.456
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: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1815.975390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.975390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.975390 (E_RNA)
where:
Base-Base interactions energy: -1237.605
where: short stacking energy: -516.663
Base-Backbone interact. energy: -5.619
local terms energy: -572.750788
where:
bonds (distance) C4'-P energy: -101.711
bonds (distance) P-C4' energy: -117.406
flat angles C4'-P-C4' energy: -130.791
flat angles P-C4'-P energy: -76.599
tors. eta vs tors. theta energy: -146.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1629.101791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.101791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.101791 (E_RNA)
where:
Base-Base interactions energy: -1078.575
where: short stacking energy: -464.004
Base-Backbone interact. energy: -2.195
local terms energy: -548.332171
where:
bonds (distance) C4'-P energy: -114.777
bonds (distance) P-C4' energy: -120.591
flat angles C4'-P-C4' energy: -113.482
flat angles P-C4'-P energy: -77.522
tors. eta vs tors. theta energy: -121.960
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1463.774738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.774738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.774738 (E_RNA)
where:
Base-Base interactions energy: -970.901
where: short stacking energy: -427.615
Base-Backbone interact. energy: 2.410
local terms energy: -495.283572
where:
bonds (distance) C4'-P energy: -97.941
bonds (distance) P-C4' energy: -102.936
flat angles C4'-P-C4' energy: -105.200
flat angles P-C4'-P energy: -72.848
tors. eta vs tors. theta energy: -116.360
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: 338
Temperature: 1.200000
Total energy: -1298.903689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.903689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.903689 (E_RNA)
where:
Base-Base interactions energy: -861.381
where: short stacking energy: -398.144
Base-Backbone interact. energy: -0.982
local terms energy: -436.540387
where:
bonds (distance) C4'-P energy: -90.336
bonds (distance) P-C4' energy: -105.413
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -53.588
tors. eta vs tors. theta energy: -89.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1251.681168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.681168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.681168 (E_RNA)
where:
Base-Base interactions energy: -828.326
where: short stacking energy: -360.634
Base-Backbone interact. energy: 3.572
local terms energy: -426.927161
where:
bonds (distance) C4'-P energy: -86.152
bonds (distance) P-C4' energy: -94.043
flat angles C4'-P-C4' energy: -95.954
flat angles P-C4'-P energy: -71.384
tors. eta vs tors. theta energy: -79.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -973.299356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.299356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.299356 (E_RNA)
where:
Base-Base interactions energy: -619.070
where: short stacking energy: -296.799
Base-Backbone interact. energy: -2.244
local terms energy: -351.985412
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -77.401
flat angles C4'-P-C4' energy: -98.195
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -47.622
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: 338
Temperature: 1.350000
Total energy: -555.026484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.026484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.026484 (E_RNA)
where:
Base-Base interactions energy: -262.721
where: short stacking energy: -157.511
Base-Backbone interact. energy: 7.035
local terms energy: -299.340476
where:
bonds (distance) C4'-P energy: -87.196
bonds (distance) P-C4' energy: -91.543
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: 10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2077.661741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.661741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.661741 (E_RNA)
where:
Base-Base interactions energy: -1443.544
where: short stacking energy: -563.047
Base-Backbone interact. energy: -1.410
local terms energy: -632.707249
where:
bonds (distance) C4'-P energy: -126.933
bonds (distance) P-C4' energy: -121.578
flat angles C4'-P-C4' energy: -122.884
flat angles P-C4'-P energy: -90.835
tors. eta vs tors. theta energy: -170.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2021.558199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.558199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.558199 (E_RNA)
where:
Base-Base interactions energy: -1393.612
where: short stacking energy: -567.671
Base-Backbone interact. energy: -3.194
local terms energy: -624.751965
where:
bonds (distance) C4'-P energy: -118.049
bonds (distance) P-C4' energy: -109.917
flat angles C4'-P-C4' energy: -129.082
flat angles P-C4'-P energy: -95.528
tors. eta vs tors. theta energy: -172.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1921.780786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.780786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.780786 (E_RNA)
where:
Base-Base interactions energy: -1325.653
where: short stacking energy: -562.795
Base-Backbone interact. energy: -3.229
local terms energy: -592.899033
where:
bonds (distance) C4'-P energy: -107.293
bonds (distance) P-C4' energy: -112.153
flat angles C4'-P-C4' energy: -123.622
flat angles P-C4'-P energy: -83.652
tors. eta vs tors. theta energy: -166.179
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: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1765.991193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.991193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.991193 (E_RNA)
where:
Base-Base interactions energy: -1238.520
where: short stacking energy: -518.017
Base-Backbone interact. energy: 0.531
local terms energy: -528.002471
where:
bonds (distance) C4'-P energy: -92.704
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -112.435
flat angles P-C4'-P energy: -70.901
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: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1615.075920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.075920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.075920 (E_RNA)
where:
Base-Base interactions energy: -1081.237
where: short stacking energy: -449.202
Base-Backbone interact. energy: -2.479
local terms energy: -531.359861
where:
bonds (distance) C4'-P energy: -104.853
bonds (distance) P-C4' energy: -99.773
flat angles C4'-P-C4' energy: -111.107
flat angles P-C4'-P energy: -88.648
tors. eta vs tors. theta energy: -126.979
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: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1425.997366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.997366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.997366 (E_RNA)
where:
Base-Base interactions energy: -919.279
where: short stacking energy: -415.609
Base-Backbone interact. energy: 0.497
local terms energy: -507.215826
where:
bonds (distance) C4'-P energy: -100.024
bonds (distance) P-C4' energy: -115.826
flat angles C4'-P-C4' energy: -110.310
flat angles P-C4'-P energy: -77.567
tors. eta vs tors. theta energy: -103.488
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: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1372.802495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.802495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.802495 (E_RNA)
where:
Base-Base interactions energy: -880.046
where: short stacking energy: -380.233
Base-Backbone interact. energy: -2.398
local terms energy: -490.358175
where:
bonds (distance) C4'-P energy: -106.652
bonds (distance) P-C4' energy: -103.898
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -50.961
tors. eta vs tors. theta energy: -109.978
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: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1224.002944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.002944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.002944 (E_RNA)
where:
Base-Base interactions energy: -787.258
where: short stacking energy: -350.875
Base-Backbone interact. energy: -2.192
local terms energy: -434.552841
where:
bonds (distance) C4'-P energy: -97.735
bonds (distance) P-C4' energy: -100.970
flat angles C4'-P-C4' energy: -95.823
flat angles P-C4'-P energy: -67.477
tors. eta vs tors. theta energy: -72.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -937.452596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.452596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.452596 (E_RNA)
where:
Base-Base interactions energy: -569.750
where: short stacking energy: -255.928
Base-Backbone interact. energy: -3.327
local terms energy: -364.376355
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -87.841
flat angles C4'-P-C4' energy: -81.162
flat angles P-C4'-P energy: -70.891
tors. eta vs tors. theta energy: -30.275
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: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -572.345874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.345874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.345874 (E_RNA)
where:
Base-Base interactions energy: -268.721
where: short stacking energy: -173.959
Base-Backbone interact. energy: -3.709
local terms energy: -299.915907
where:
bonds (distance) C4'-P energy: -93.319
bonds (distance) P-C4' energy: -90.471
flat angles C4'-P-C4' energy: -89.956
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: 13.748
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: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2085.462352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.462352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.462352 (E_RNA)
where:
Base-Base interactions energy: -1453.268
where: short stacking energy: -576.628
Base-Backbone interact. energy: -3.381
local terms energy: -628.813674
where:
bonds (distance) C4'-P energy: -113.128
bonds (distance) P-C4' energy: -114.433
flat angles C4'-P-C4' energy: -143.713
flat angles P-C4'-P energy: -89.526
tors. eta vs tors. theta energy: -168.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2003.036957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.036957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.036957 (E_RNA)
where:
Base-Base interactions energy: -1405.832
where: short stacking energy: -559.544
Base-Backbone interact. energy: -2.542
local terms energy: -594.662776
where:
bonds (distance) C4'-P energy: -105.960
bonds (distance) P-C4' energy: -110.654
flat angles C4'-P-C4' energy: -122.617
flat angles P-C4'-P energy: -98.004
tors. eta vs tors. theta energy: -157.428
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: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1941.590838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.590838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.590838 (E_RNA)
where:
Base-Base interactions energy: -1363.141
where: short stacking energy: -544.758
Base-Backbone interact. energy: -1.304
local terms energy: -577.145394
where:
bonds (distance) C4'-P energy: -100.911
bonds (distance) P-C4' energy: -112.095
flat angles C4'-P-C4' energy: -135.573
flat angles P-C4'-P energy: -76.390
tors. eta vs tors. theta energy: -152.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1783.588461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.588461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.588461 (E_RNA)
where:
Base-Base interactions energy: -1235.535
where: short stacking energy: -524.443
Base-Backbone interact. energy: -1.926
local terms energy: -546.127047
where:
bonds (distance) C4'-P energy: -115.350
bonds (distance) P-C4' energy: -99.883
flat angles C4'-P-C4' energy: -120.045
flat angles P-C4'-P energy: -73.485
tors. eta vs tors. theta energy: -137.364
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: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1610.504206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.504206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.504206 (E_RNA)
where:
Base-Base interactions energy: -1093.157
where: short stacking energy: -451.558
Base-Backbone interact. energy: -2.814
local terms energy: -514.533679
where:
bonds (distance) C4'-P energy: -107.543
bonds (distance) P-C4' energy: -88.462
flat angles C4'-P-C4' energy: -128.046
flat angles P-C4'-P energy: -69.812
tors. eta vs tors. theta energy: -120.670
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: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1517.060794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.060794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.060794 (E_RNA)
where:
Base-Base interactions energy: -994.101
where: short stacking energy: -465.119
Base-Backbone interact. energy: -1.187
local terms energy: -521.773232
where:
bonds (distance) C4'-P energy: -110.082
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -113.772
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -114.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1366.694309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.694309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.694309 (E_RNA)
where:
Base-Base interactions energy: -856.792
where: short stacking energy: -411.920
Base-Backbone interact. energy: -3.374
local terms energy: -506.527948
where:
bonds (distance) C4'-P energy: -94.568
bonds (distance) P-C4' energy: -112.523
flat angles C4'-P-C4' energy: -115.501
flat angles P-C4'-P energy: -80.634
tors. eta vs tors. theta energy: -103.302
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1184.511538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.511538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.511538 (E_RNA)
where:
Base-Base interactions energy: -791.430
where: short stacking energy: -338.657
Base-Backbone interact. energy: -1.194
local terms energy: -391.887481
where:
bonds (distance) C4'-P energy: -85.081
bonds (distance) P-C4' energy: -92.720
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -50.301
tors. eta vs tors. theta energy: -60.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -920.746456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.746456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.746456 (E_RNA)
where:
Base-Base interactions energy: -562.989
where: short stacking energy: -265.035
Base-Backbone interact. energy: -1.905
local terms energy: -355.852783
where:
bonds (distance) C4'-P energy: -92.078
bonds (distance) P-C4' energy: -101.431
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -62.221
tors. eta vs tors. theta energy: -23.419
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: 340
Temperature: 1.350000
Total energy: -548.966722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.966722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.966722 (E_RNA)
where:
Base-Base interactions energy: -246.856
where: short stacking energy: -153.611
Base-Backbone interact. energy: 0.452
local terms energy: -302.562870
where:
bonds (distance) C4'-P energy: -92.137
bonds (distance) P-C4' energy: -99.414
flat angles C4'-P-C4' energy: -74.033
flat angles P-C4'-P energy: -37.094
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2101.357952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.357952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.357952 (E_RNA)
where:
Base-Base interactions energy: -1484.845
where: short stacking energy: -605.394
Base-Backbone interact. energy: -4.489
local terms energy: -612.023101
where:
bonds (distance) C4'-P energy: -109.811
bonds (distance) P-C4' energy: -111.925
flat angles C4'-P-C4' energy: -133.279
flat angles P-C4'-P energy: -87.307
tors. eta vs tors. theta energy: -169.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2048.753718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.753718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.753718 (E_RNA)
where:
Base-Base interactions energy: -1419.814
where: short stacking energy: -580.044
Base-Backbone interact. energy: -4.111
local terms energy: -624.827816
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -138.100
flat angles P-C4'-P energy: -87.255
tors. eta vs tors. theta energy: -174.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1943.974179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.974179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.974179 (E_RNA)
where:
Base-Base interactions energy: -1386.105
where: short stacking energy: -584.529
Base-Backbone interact. energy: -0.362
local terms energy: -557.507009
where:
bonds (distance) C4'-P energy: -92.556
bonds (distance) P-C4' energy: -102.127
flat angles C4'-P-C4' energy: -122.592
flat angles P-C4'-P energy: -82.870
tors. eta vs tors. theta energy: -157.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1740.557804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.557804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.557804 (E_RNA)
where:
Base-Base interactions energy: -1200.852
where: short stacking energy: -494.261
Base-Backbone interact. energy: -1.880
local terms energy: -537.825785
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -117.530
flat angles P-C4'-P energy: -67.252
tors. eta vs tors. theta energy: -148.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1643.445638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.445638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.445638 (E_RNA)
where:
Base-Base interactions energy: -1126.389
where: short stacking energy: -495.821
Base-Backbone interact. energy: -1.740
local terms energy: -515.316856
where:
bonds (distance) C4'-P energy: -83.562
bonds (distance) P-C4' energy: -112.393
flat angles C4'-P-C4' energy: -110.563
flat angles P-C4'-P energy: -63.346
tors. eta vs tors. theta energy: -145.453
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: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1509.599584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.599584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.599584 (E_RNA)
where:
Base-Base interactions energy: -999.775
where: short stacking energy: -444.342
Base-Backbone interact. energy: 0.409
local terms energy: -510.234062
where:
bonds (distance) C4'-P energy: -82.698
bonds (distance) P-C4' energy: -118.781
flat angles C4'-P-C4' energy: -118.675
flat angles P-C4'-P energy: -75.771
tors. eta vs tors. theta energy: -114.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1328.009567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.009567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.009567 (E_RNA)
where:
Base-Base interactions energy: -866.541
where: short stacking energy: -391.478
Base-Backbone interact. energy: -2.084
local terms energy: -459.384642
where:
bonds (distance) C4'-P energy: -83.640
bonds (distance) P-C4' energy: -111.394
flat angles C4'-P-C4' energy: -105.782
flat angles P-C4'-P energy: -63.757
tors. eta vs tors. theta energy: -94.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1166.378785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.378785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.378785 (E_RNA)
where:
Base-Base interactions energy: -774.004
where: short stacking energy: -330.895
Base-Backbone interact. energy: 4.288
local terms energy: -396.662768
where:
bonds (distance) C4'-P energy: -86.044
bonds (distance) P-C4' energy: -88.724
flat angles C4'-P-C4' energy: -100.733
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -59.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -920.416272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.416272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.416272 (E_RNA)
where:
Base-Base interactions energy: -541.809
where: short stacking energy: -246.951
Base-Backbone interact. energy: -2.668
local terms energy: -375.939419
where:
bonds (distance) C4'-P energy: -107.154
bonds (distance) P-C4' energy: -106.291
flat angles C4'-P-C4' energy: -78.778
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -547.203656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.203656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.203656 (E_RNA)
where:
Base-Base interactions energy: -238.266
where: short stacking energy: -145.124
Base-Backbone interact. energy: -0.554
local terms energy: -308.384340
where:
bonds (distance) C4'-P energy: -85.418
bonds (distance) P-C4' energy: -97.828
flat angles C4'-P-C4' energy: -94.038
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: 17.725
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: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2096.082032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.082032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.082032 (E_RNA)
where:
Base-Base interactions energy: -1464.853
where: short stacking energy: -606.702
Base-Backbone interact. energy: -3.744
local terms energy: -627.485418
where:
bonds (distance) C4'-P energy: -103.212
bonds (distance) P-C4' energy: -119.408
flat angles C4'-P-C4' energy: -135.492
flat angles P-C4'-P energy: -98.951
tors. eta vs tors. theta energy: -170.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2052.564993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.564993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.564993 (E_RNA)
where:
Base-Base interactions energy: -1439.326
where: short stacking energy: -561.610
Base-Backbone interact. energy: -2.585
local terms energy: -610.654901
where:
bonds (distance) C4'-P energy: -113.968
bonds (distance) P-C4' energy: -110.002
flat angles C4'-P-C4' energy: -137.022
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -161.642
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: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1969.190412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.190412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.190412 (E_RNA)
where:
Base-Base interactions energy: -1388.625
where: short stacking energy: -563.408
Base-Backbone interact. energy: -0.380
local terms energy: -580.185900
where:
bonds (distance) C4'-P energy: -102.329
bonds (distance) P-C4' energy: -97.097
flat angles C4'-P-C4' energy: -127.935
flat angles P-C4'-P energy: -85.294
tors. eta vs tors. theta energy: -167.531
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: 342
Temperature: 1.050000
Total energy: -1764.988997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.988997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.988997 (E_RNA)
where:
Base-Base interactions energy: -1184.885
where: short stacking energy: -490.213
Base-Backbone interact. energy: 1.137
local terms energy: -581.241335
where:
bonds (distance) C4'-P energy: -115.067
bonds (distance) P-C4' energy: -108.246
flat angles C4'-P-C4' energy: -132.167
flat angles P-C4'-P energy: -76.851
tors. eta vs tors. theta energy: -148.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1628.497194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.497194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.497194 (E_RNA)
where:
Base-Base interactions energy: -1095.114
where: short stacking energy: -461.982
Base-Backbone interact. energy: 0.363
local terms energy: -533.745772
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -111.872
flat angles C4'-P-C4' energy: -108.043
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -129.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1463.474172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.474172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.474172 (E_RNA)
where:
Base-Base interactions energy: -957.742
where: short stacking energy: -443.834
Base-Backbone interact. energy: -2.263
local terms energy: -503.468515
where:
bonds (distance) C4'-P energy: -97.939
bonds (distance) P-C4' energy: -98.399
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -84.463
tors. eta vs tors. theta energy: -111.436
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1322.202597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.202597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.202597 (E_RNA)
where:
Base-Base interactions energy: -861.841
where: short stacking energy: -403.959
Base-Backbone interact. energy: 3.282
local terms energy: -463.644137
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -109.483
flat angles C4'-P-C4' energy: -97.528
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -102.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1164.122876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.122876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.122876 (E_RNA)
where:
Base-Base interactions energy: -739.020
where: short stacking energy: -355.774
Base-Backbone interact. energy: -2.469
local terms energy: -422.634110
where:
bonds (distance) C4'-P energy: -105.985
bonds (distance) P-C4' energy: -92.908
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -71.888
tors. eta vs tors. theta energy: -65.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -941.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.579549 (E_RNA)
where:
Base-Base interactions energy: -567.974
where: short stacking energy: -270.051
Base-Backbone interact. energy: 2.172
local terms energy: -375.777881
where:
bonds (distance) C4'-P energy: -91.145
bonds (distance) P-C4' energy: -99.041
flat angles C4'-P-C4' energy: -88.925
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -568.099342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.099342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.099342 (E_RNA)
where:
Base-Base interactions energy: -274.915
where: short stacking energy: -180.118
Base-Backbone interact. energy: -2.299
local terms energy: -290.886230
where:
bonds (distance) C4'-P energy: -81.185
bonds (distance) P-C4' energy: -91.720
flat angles C4'-P-C4' energy: -72.658
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: 8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2076.338832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.338832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.338832 (E_RNA)
where:
Base-Base interactions energy: -1438.140
where: short stacking energy: -608.846
Base-Backbone interact. energy: -1.875
local terms energy: -636.324185
where:
bonds (distance) C4'-P energy: -125.904
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -132.314
flat angles P-C4'-P energy: -93.616
tors. eta vs tors. theta energy: -172.917
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2089.398974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.398974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.398974 (E_RNA)
where:
Base-Base interactions energy: -1473.432
where: short stacking energy: -590.528
Base-Backbone interact. energy: -0.475
local terms energy: -615.492286
where:
bonds (distance) C4'-P energy: -108.920
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -137.266
flat angles P-C4'-P energy: -88.819
tors. eta vs tors. theta energy: -170.422
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: 343
Temperature: 1.000000
Total energy: -1937.098897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.098897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.098897 (E_RNA)
where:
Base-Base interactions energy: -1347.043
where: short stacking energy: -564.440
Base-Backbone interact. energy: -3.440
local terms energy: -586.615670
where:
bonds (distance) C4'-P energy: -102.586
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -118.479
flat angles P-C4'-P energy: -81.184
tors. eta vs tors. theta energy: -167.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1754.569511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.569511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.569511 (E_RNA)
where:
Base-Base interactions energy: -1195.503
where: short stacking energy: -495.189
Base-Backbone interact. energy: -2.859
local terms energy: -556.207328
where:
bonds (distance) C4'-P energy: -112.389
bonds (distance) P-C4' energy: -107.098
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -78.405
tors. eta vs tors. theta energy: -142.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1653.210777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.210777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.210777 (E_RNA)
where:
Base-Base interactions energy: -1097.253
where: short stacking energy: -464.224
Base-Backbone interact. energy: -0.615
local terms energy: -555.342499
where:
bonds (distance) C4'-P energy: -120.458
bonds (distance) P-C4' energy: -119.239
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -67.228
tors. eta vs tors. theta energy: -130.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1472.640343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.640343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.640343 (E_RNA)
where:
Base-Base interactions energy: -966.560
where: short stacking energy: -435.092
Base-Backbone interact. energy: -0.671
local terms energy: -505.409108
where:
bonds (distance) C4'-P energy: -104.361
bonds (distance) P-C4' energy: -107.646
flat angles C4'-P-C4' energy: -107.957
flat angles P-C4'-P energy: -72.892
tors. eta vs tors. theta energy: -112.553
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1315.456890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.456890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.456890 (E_RNA)
where:
Base-Base interactions energy: -838.422
where: short stacking energy: -361.064
Base-Backbone interact. energy: -2.150
local terms energy: -474.884930
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -108.549
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -74.194
tors. eta vs tors. theta energy: -90.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1220.360785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.360785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.360785 (E_RNA)
where:
Base-Base interactions energy: -788.951
where: short stacking energy: -340.737
Base-Backbone interact. energy: 0.109
local terms energy: -431.518736
where:
bonds (distance) C4'-P energy: -90.024
bonds (distance) P-C4' energy: -113.753
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -51.406
tors. eta vs tors. theta energy: -74.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -958.053021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.053021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.053021 (E_RNA)
where:
Base-Base interactions energy: -581.220
where: short stacking energy: -257.553
Base-Backbone interact. energy: 1.039
local terms energy: -377.872192
where:
bonds (distance) C4'-P energy: -88.651
bonds (distance) P-C4' energy: -96.921
flat angles C4'-P-C4' energy: -102.858
flat angles P-C4'-P energy: -46.159
tors. eta vs tors. theta energy: -43.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -556.872517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.872517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.872517 (E_RNA)
where:
Base-Base interactions energy: -235.985
where: short stacking energy: -148.404
Base-Backbone interact. energy: 0.227
local terms energy: -321.114486
where:
bonds (distance) C4'-P energy: -85.025
bonds (distance) P-C4' energy: -94.021
flat angles C4'-P-C4' energy: -94.767
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: 14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2092.502593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.502593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.502593 (E_RNA)
where:
Base-Base interactions energy: -1473.320
where: short stacking energy: -608.698
Base-Backbone interact. energy: -2.229
local terms energy: -616.953475
where:
bonds (distance) C4'-P energy: -111.170
bonds (distance) P-C4' energy: -118.116
flat angles C4'-P-C4' energy: -125.397
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -174.531
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2039.045476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.045476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.045476 (E_RNA)
where:
Base-Base interactions energy: -1423.238
where: short stacking energy: -567.247
Base-Backbone interact. energy: -2.870
local terms energy: -612.938006
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -118.637
flat angles C4'-P-C4' energy: -130.335
flat angles P-C4'-P energy: -90.437
tors. eta vs tors. theta energy: -172.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1937.672307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.672307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.672307 (E_RNA)
where:
Base-Base interactions energy: -1354.946
where: short stacking energy: -550.120
Base-Backbone interact. energy: -0.385
local terms energy: -582.341140
where:
bonds (distance) C4'-P energy: -106.441
bonds (distance) P-C4' energy: -116.520
flat angles C4'-P-C4' energy: -115.539
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -164.301
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: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1787.636421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.636421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.636421 (E_RNA)
where:
Base-Base interactions energy: -1245.513
where: short stacking energy: -499.032
Base-Backbone interact. energy: -3.308
local terms energy: -538.814652
where:
bonds (distance) C4'-P energy: -113.049
bonds (distance) P-C4' energy: -89.761
flat angles C4'-P-C4' energy: -111.860
flat angles P-C4'-P energy: -90.116
tors. eta vs tors. theta energy: -134.029
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: 344
Temperature: 1.100000
Total energy: -1550.178892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.178892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.178892 (E_RNA)
where:
Base-Base interactions energy: -1032.401
where: short stacking energy: -447.891
Base-Backbone interact. energy: -2.957
local terms energy: -514.820713
where:
bonds (distance) C4'-P energy: -109.105
bonds (distance) P-C4' energy: -105.158
flat angles C4'-P-C4' energy: -124.143
flat angles P-C4'-P energy: -57.771
tors. eta vs tors. theta energy: -118.643
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1557.825425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.825425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.825425 (E_RNA)
where:
Base-Base interactions energy: -1077.962
where: short stacking energy: -450.906
Base-Backbone interact. energy: 5.731
local terms energy: -485.593800
where:
bonds (distance) C4'-P energy: -100.739
bonds (distance) P-C4' energy: -97.139
flat angles C4'-P-C4' energy: -110.086
flat angles P-C4'-P energy: -72.619
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1355.410822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.410822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.410822 (E_RNA)
where:
Base-Base interactions energy: -897.606
where: short stacking energy: -400.626
Base-Backbone interact. energy: -2.741
local terms energy: -455.063398
where:
bonds (distance) C4'-P energy: -104.027
bonds (distance) P-C4' energy: -80.713
flat angles C4'-P-C4' energy: -98.754
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -112.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1202.020387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.020387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.020387 (E_RNA)
where:
Base-Base interactions energy: -761.183
where: short stacking energy: -322.254
Base-Backbone interact. energy: 0.076
local terms energy: -440.913710
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -91.569
flat angles P-C4'-P energy: -62.492
tors. eta vs tors. theta energy: -73.485
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: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -909.010883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.010883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.010883 (E_RNA)
where:
Base-Base interactions energy: -534.614
where: short stacking energy: -255.900
Base-Backbone interact. energy: 1.333
local terms energy: -375.729651
where:
bonds (distance) C4'-P energy: -96.053
bonds (distance) P-C4' energy: -93.058
flat angles C4'-P-C4' energy: -104.930
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -34.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -556.823785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.823785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.823785 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -126.777
Base-Backbone interact. energy: -1.210
local terms energy: -336.738489
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -114.315
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -58.247
tors. eta vs tors. theta energy: 12.832
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2103.770766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.770766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.770766 (E_RNA)
where:
Base-Base interactions energy: -1472.961
where: short stacking energy: -592.439
Base-Backbone interact. energy: -6.323
local terms energy: -624.486805
where:
bonds (distance) C4'-P energy: -113.665
bonds (distance) P-C4' energy: -122.569
flat angles C4'-P-C4' energy: -131.233
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -179.738
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: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2009.830874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.830874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.830874 (E_RNA)
where:
Base-Base interactions energy: -1385.834
where: short stacking energy: -560.605
Base-Backbone interact. energy: -3.275
local terms energy: -620.722220
where:
bonds (distance) C4'-P energy: -120.603
bonds (distance) P-C4' energy: -117.195
flat angles C4'-P-C4' energy: -128.925
flat angles P-C4'-P energy: -81.973
tors. eta vs tors. theta energy: -172.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1962.193991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.193991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.193991 (E_RNA)
where:
Base-Base interactions energy: -1357.218
where: short stacking energy: -578.438
Base-Backbone interact. energy: -3.941
local terms energy: -601.035711
where:
bonds (distance) C4'-P energy: -101.013
bonds (distance) P-C4' energy: -106.925
flat angles C4'-P-C4' energy: -136.666
flat angles P-C4'-P energy: -84.814
tors. eta vs tors. theta energy: -171.618
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: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1806.145272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.145272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.145272 (E_RNA)
where:
Base-Base interactions energy: -1279.085
where: short stacking energy: -519.345
Base-Backbone interact. energy: -1.686
local terms energy: -525.373914
where:
bonds (distance) C4'-P energy: -86.468
bonds (distance) P-C4' energy: -102.304
flat angles C4'-P-C4' energy: -110.577
flat angles P-C4'-P energy: -82.903
tors. eta vs tors. theta energy: -143.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1542.007797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.007797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.007797 (E_RNA)
where:
Base-Base interactions energy: -1039.497
where: short stacking energy: -471.221
Base-Backbone interact. energy: -3.161
local terms energy: -499.349497
where:
bonds (distance) C4'-P energy: -111.809
bonds (distance) P-C4' energy: -104.655
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -67.432
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1520.245399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.245399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.245399 (E_RNA)
where:
Base-Base interactions energy: -1039.527
where: short stacking energy: -422.488
Base-Backbone interact. energy: 6.026
local terms energy: -486.744789
where:
bonds (distance) C4'-P energy: -89.157
bonds (distance) P-C4' energy: -109.340
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -92.921
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: 345
Temperature: 1.200000
Total energy: -1299.313472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.313472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.313472 (E_RNA)
where:
Base-Base interactions energy: -839.633
where: short stacking energy: -401.076
Base-Backbone interact. energy: 2.414
local terms energy: -462.093648
where:
bonds (distance) C4'-P energy: -101.173
bonds (distance) P-C4' energy: -97.248
flat angles C4'-P-C4' energy: -114.692
flat angles P-C4'-P energy: -69.130
tors. eta vs tors. theta energy: -79.851
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1260.744525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.744525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.744525 (E_RNA)
where:
Base-Base interactions energy: -826.981
where: short stacking energy: -358.117
Base-Backbone interact. energy: -0.735
local terms energy: -433.028485
where:
bonds (distance) C4'-P energy: -82.104
bonds (distance) P-C4' energy: -113.694
flat angles C4'-P-C4' energy: -94.817
flat angles P-C4'-P energy: -68.443
tors. eta vs tors. theta energy: -73.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -901.903780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.903780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.903780 (E_RNA)
where:
Base-Base interactions energy: -537.112
where: short stacking energy: -266.274
Base-Backbone interact. energy: -2.373
local terms energy: -362.418690
where:
bonds (distance) C4'-P energy: -89.374
bonds (distance) P-C4' energy: -104.819
flat angles C4'-P-C4' energy: -89.962
flat angles P-C4'-P energy: -43.960
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -600.492578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.492578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.492578 (E_RNA)
where:
Base-Base interactions energy: -271.339
where: short stacking energy: -163.921
Base-Backbone interact. energy: -1.585
local terms energy: -327.568626
where:
bonds (distance) C4'-P energy: -107.901
bonds (distance) P-C4' energy: -92.865
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2115.704060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.704060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.704060 (E_RNA)
where:
Base-Base interactions energy: -1514.898
where: short stacking energy: -608.590
Base-Backbone interact. energy: -2.519
local terms energy: -598.286290
where:
bonds (distance) C4'-P energy: -102.096
bonds (distance) P-C4' energy: -116.178
flat angles C4'-P-C4' energy: -124.303
flat angles P-C4'-P energy: -81.474
tors. eta vs tors. theta energy: -174.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1988.088303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.088303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.088303 (E_RNA)
where:
Base-Base interactions energy: -1378.247
where: short stacking energy: -580.808
Base-Backbone interact. energy: -1.837
local terms energy: -608.004167
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -118.726
flat angles C4'-P-C4' energy: -118.320
flat angles P-C4'-P energy: -99.039
tors. eta vs tors. theta energy: -161.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1967.949483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.949483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.949483 (E_RNA)
where:
Base-Base interactions energy: -1346.667
where: short stacking energy: -559.519
Base-Backbone interact. energy: -4.377
local terms energy: -616.905529
where:
bonds (distance) C4'-P energy: -116.711
bonds (distance) P-C4' energy: -110.779
flat angles C4'-P-C4' energy: -137.743
flat angles P-C4'-P energy: -84.929
tors. eta vs tors. theta energy: -166.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1853.616722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.616722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.616722 (E_RNA)
where:
Base-Base interactions energy: -1279.928
where: short stacking energy: -508.461
Base-Backbone interact. energy: -1.242
local terms energy: -572.446507
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -118.574
flat angles P-C4'-P energy: -88.455
tors. eta vs tors. theta energy: -144.184
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: 346
Temperature: 1.100000
Total energy: -1580.503657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.503657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.503657 (E_RNA)
where:
Base-Base interactions energy: -1076.761
where: short stacking energy: -450.874
Base-Backbone interact. energy: -0.165
local terms energy: -503.578127
where:
bonds (distance) C4'-P energy: -96.371
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -108.126
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -122.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1467.989585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.989585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.989585 (E_RNA)
where:
Base-Base interactions energy: -984.070
where: short stacking energy: -433.721
Base-Backbone interact. energy: -1.798
local terms energy: -482.122076
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -88.944
flat angles C4'-P-C4' energy: -115.896
flat angles P-C4'-P energy: -72.631
tors. eta vs tors. theta energy: -109.498
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: 346
Temperature: 1.200000
Total energy: -1294.015336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.015336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.015336 (E_RNA)
where:
Base-Base interactions energy: -818.390
where: short stacking energy: -344.922
Base-Backbone interact. energy: -1.729
local terms energy: -473.896866
where:
bonds (distance) C4'-P energy: -109.155
bonds (distance) P-C4' energy: -108.255
flat angles C4'-P-C4' energy: -104.354
flat angles P-C4'-P energy: -70.845
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1275.039876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.039876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.039876 (E_RNA)
where:
Base-Base interactions energy: -838.803
where: short stacking energy: -369.273
Base-Backbone interact. energy: 1.969
local terms energy: -438.205718
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -104.548
flat angles C4'-P-C4' energy: -105.926
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -77.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -878.615055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.615055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.615055 (E_RNA)
where:
Base-Base interactions energy: -524.393
where: short stacking energy: -242.738
Base-Backbone interact. energy: 1.771
local terms energy: -355.992957
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -99.341
flat angles C4'-P-C4' energy: -88.741
flat angles P-C4'-P energy: -53.388
tors. eta vs tors. theta energy: -26.674
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -618.455481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.455481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.455481 (E_RNA)
where:
Base-Base interactions energy: -288.877
where: short stacking energy: -152.307
Base-Backbone interact. energy: -0.227
local terms energy: -329.351247
where:
bonds (distance) C4'-P energy: -113.959
bonds (distance) P-C4' energy: -95.669
flat angles C4'-P-C4' energy: -72.802
flat angles P-C4'-P energy: -48.797
tors. eta vs tors. theta energy: 1.876
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2103.901160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.901160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.901160 (E_RNA)
where:
Base-Base interactions energy: -1482.279
where: short stacking energy: -582.460
Base-Backbone interact. energy: -4.187
local terms energy: -617.434971
where:
bonds (distance) C4'-P energy: -121.728
bonds (distance) P-C4' energy: -106.413
flat angles C4'-P-C4' energy: -123.699
flat angles P-C4'-P energy: -97.855
tors. eta vs tors. theta energy: -167.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1974.301672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.301672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.301672 (E_RNA)
where:
Base-Base interactions energy: -1353.513
where: short stacking energy: -575.143
Base-Backbone interact. energy: -3.117
local terms energy: -617.671244
where:
bonds (distance) C4'-P energy: -120.774
bonds (distance) P-C4' energy: -108.094
flat angles C4'-P-C4' energy: -125.126
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -177.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1948.045318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.045318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.045318 (E_RNA)
where:
Base-Base interactions energy: -1368.138
where: short stacking energy: -561.365
Base-Backbone interact. energy: 1.871
local terms energy: -581.778474
where:
bonds (distance) C4'-P energy: -104.565
bonds (distance) P-C4' energy: -111.325
flat angles C4'-P-C4' energy: -124.903
flat angles P-C4'-P energy: -83.578
tors. eta vs tors. theta energy: -157.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1811.894833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.894833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.894833 (E_RNA)
where:
Base-Base interactions energy: -1233.426
where: short stacking energy: -499.854
Base-Backbone interact. energy: -3.558
local terms energy: -574.910665
where:
bonds (distance) C4'-P energy: -102.028
bonds (distance) P-C4' energy: -114.637
flat angles C4'-P-C4' energy: -124.250
flat angles P-C4'-P energy: -88.245
tors. eta vs tors. theta energy: -145.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1555.022574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.022574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.022574 (E_RNA)
where:
Base-Base interactions energy: -1059.316
where: short stacking energy: -475.137
Base-Backbone interact. energy: -1.953
local terms energy: -493.753798
where:
bonds (distance) C4'-P energy: -94.824
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -107.297
flat angles P-C4'-P energy: -60.188
tors. eta vs tors. theta energy: -127.905
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: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1475.773915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.773915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.773915 (E_RNA)
where:
Base-Base interactions energy: -989.163
where: short stacking energy: -441.307
Base-Backbone interact. energy: -0.278
local terms energy: -486.332949
where:
bonds (distance) C4'-P energy: -95.923
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -108.715
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -114.024
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: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1352.386112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.386112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.386112 (E_RNA)
where:
Base-Base interactions energy: -894.741
where: short stacking energy: -387.642
Base-Backbone interact. energy: -2.840
local terms energy: -454.805029
where:
bonds (distance) C4'-P energy: -106.628
bonds (distance) P-C4' energy: -101.659
flat angles C4'-P-C4' energy: -96.892
flat angles P-C4'-P energy: -59.299
tors. eta vs tors. theta energy: -90.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1316.267113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.267113 (E_RNA)
where:
Base-Base interactions energy: -883.330
where: short stacking energy: -396.937
Base-Backbone interact. energy: -2.013
local terms energy: -430.924592
where:
bonds (distance) C4'-P energy: -100.621
bonds (distance) P-C4' energy: -71.524
flat angles C4'-P-C4' energy: -104.623
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -90.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -898.683639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.683639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.683639 (E_RNA)
where:
Base-Base interactions energy: -549.175
where: short stacking energy: -254.488
Base-Backbone interact. energy: -0.915
local terms energy: -348.593965
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -92.973
flat angles C4'-P-C4' energy: -70.416
flat angles P-C4'-P energy: -53.904
tors. eta vs tors. theta energy: -40.353
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -601.299631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.299631 (E_RNA)
where:
Base-Base interactions energy: -284.162
where: short stacking energy: -157.454
Base-Backbone interact. energy: 0.202
local terms energy: -317.339434
where:
bonds (distance) C4'-P energy: -78.490
bonds (distance) P-C4' energy: -108.013
flat angles C4'-P-C4' energy: -103.210
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: 13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2099.420121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.420121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.420121 (E_RNA)
where:
Base-Base interactions energy: -1482.714
where: short stacking energy: -600.839
Base-Backbone interact. energy: 1.334
local terms energy: -618.039750
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -111.680
flat angles C4'-P-C4' energy: -135.781
flat angles P-C4'-P energy: -85.828
tors. eta vs tors. theta energy: -166.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1977.225265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.225265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.225265 (E_RNA)
where:
Base-Base interactions energy: -1364.281
where: short stacking energy: -567.637
Base-Backbone interact. energy: -1.909
local terms energy: -611.035694
where:
bonds (distance) C4'-P energy: -94.400
bonds (distance) P-C4' energy: -115.111
flat angles C4'-P-C4' energy: -140.668
flat angles P-C4'-P energy: -89.797
tors. eta vs tors. theta energy: -171.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1919.536171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.536171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.536171 (E_RNA)
where:
Base-Base interactions energy: -1327.723
where: short stacking energy: -523.457
Base-Backbone interact. energy: -4.167
local terms energy: -587.646727
where:
bonds (distance) C4'-P energy: -110.807
bonds (distance) P-C4' energy: -114.063
flat angles C4'-P-C4' energy: -126.068
flat angles P-C4'-P energy: -86.361
tors. eta vs tors. theta energy: -150.348
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: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1799.250786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.250786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.250786 (E_RNA)
where:
Base-Base interactions energy: -1248.172
where: short stacking energy: -505.270
Base-Backbone interact. energy: -1.521
local terms energy: -549.557568
where:
bonds (distance) C4'-P energy: -126.472
bonds (distance) P-C4' energy: -101.885
flat angles C4'-P-C4' energy: -116.613
flat angles P-C4'-P energy: -69.461
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: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1513.419722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.419722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.419722 (E_RNA)
where:
Base-Base interactions energy: -992.701
where: short stacking energy: -436.109
Base-Backbone interact. energy: -0.829
local terms energy: -519.889941
where:
bonds (distance) C4'-P energy: -94.186
bonds (distance) P-C4' energy: -101.784
flat angles C4'-P-C4' energy: -124.671
flat angles P-C4'-P energy: -76.775
tors. eta vs tors. theta energy: -122.474
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: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1495.669321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.669321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.669321 (E_RNA)
where:
Base-Base interactions energy: -963.483
where: short stacking energy: -447.184
Base-Backbone interact. energy: -1.367
local terms energy: -530.819317
where:
bonds (distance) C4'-P energy: -112.366
bonds (distance) P-C4' energy: -109.317
flat angles C4'-P-C4' energy: -105.059
flat angles P-C4'-P energy: -82.689
tors. eta vs tors. theta energy: -121.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1367.052082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.052082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.052082 (E_RNA)
where:
Base-Base interactions energy: -898.667
where: short stacking energy: -401.008
Base-Backbone interact. energy: -2.726
local terms energy: -465.659908
where:
bonds (distance) C4'-P energy: -90.281
bonds (distance) P-C4' energy: -106.285
flat angles C4'-P-C4' energy: -112.172
flat angles P-C4'-P energy: -70.751
tors. eta vs tors. theta energy: -86.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1231.990018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.990018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.990018 (E_RNA)
where:
Base-Base interactions energy: -801.676
where: short stacking energy: -358.446
Base-Backbone interact. energy: 4.149
local terms energy: -434.462856
where:
bonds (distance) C4'-P energy: -86.840
bonds (distance) P-C4' energy: -103.142
flat angles C4'-P-C4' energy: -116.268
flat angles P-C4'-P energy: -59.497
tors. eta vs tors. theta energy: -68.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -894.099400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.099400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.099400 (E_RNA)
where:
Base-Base interactions energy: -551.624
where: short stacking energy: -239.293
Base-Backbone interact. energy: 0.629
local terms energy: -343.103961
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -87.489
flat angles C4'-P-C4' energy: -81.101
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -538.609120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.609120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.609120 (E_RNA)
where:
Base-Base interactions energy: -243.538
where: short stacking energy: -139.608
Base-Backbone interact. energy: 0.931
local terms energy: -296.002118
where:
bonds (distance) C4'-P energy: -83.344
bonds (distance) P-C4' energy: -104.735
flat angles C4'-P-C4' energy: -69.651
flat angles P-C4'-P energy: -55.197
tors. eta vs tors. theta energy: 16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2072.736462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.736462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.736462 (E_RNA)
where:
Base-Base interactions energy: -1453.860
where: short stacking energy: -584.825
Base-Backbone interact. energy: 0.575
local terms energy: -619.452083
where:
bonds (distance) C4'-P energy: -120.362
bonds (distance) P-C4' energy: -112.354
flat angles C4'-P-C4' energy: -127.283
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -170.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1955.538103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.538103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.538103 (E_RNA)
where:
Base-Base interactions energy: -1345.097
where: short stacking energy: -546.999
Base-Backbone interact. energy: -2.513
local terms energy: -607.927823
where:
bonds (distance) C4'-P energy: -119.070
bonds (distance) P-C4' energy: -118.074
flat angles C4'-P-C4' energy: -123.170
flat angles P-C4'-P energy: -87.901
tors. eta vs tors. theta energy: -159.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1904.082010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.082010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.082010 (E_RNA)
where:
Base-Base interactions energy: -1335.504
where: short stacking energy: -535.501
Base-Backbone interact. energy: -0.559
local terms energy: -568.018645
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -120.032
flat angles C4'-P-C4' energy: -134.320
flat angles P-C4'-P energy: -66.619
tors. eta vs tors. theta energy: -154.230
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: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1823.436016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.436016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.436016 (E_RNA)
where:
Base-Base interactions energy: -1261.019
where: short stacking energy: -508.896
Base-Backbone interact. energy: -4.870
local terms energy: -557.547656
where:
bonds (distance) C4'-P energy: -113.550
bonds (distance) P-C4' energy: -109.354
flat angles C4'-P-C4' energy: -120.690
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -135.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1509.115988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.115988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.115988 (E_RNA)
where:
Base-Base interactions energy: -1012.512
where: short stacking energy: -426.352
Base-Backbone interact. energy: 2.008
local terms energy: -498.612116
where:
bonds (distance) C4'-P energy: -97.878
bonds (distance) P-C4' energy: -105.403
flat angles C4'-P-C4' energy: -106.057
flat angles P-C4'-P energy: -79.470
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: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1501.909071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.909071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.909071 (E_RNA)
where:
Base-Base interactions energy: -1011.918
where: short stacking energy: -447.719
Base-Backbone interact. energy: -3.742
local terms energy: -486.249185
where:
bonds (distance) C4'-P energy: -85.194
bonds (distance) P-C4' energy: -107.347
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -73.023
tors. eta vs tors. theta energy: -112.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1385.219414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.219414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.219414 (E_RNA)
where:
Base-Base interactions energy: -901.606
where: short stacking energy: -401.248
Base-Backbone interact. energy: 0.022
local terms energy: -483.635637
where:
bonds (distance) C4'-P energy: -102.358
bonds (distance) P-C4' energy: -95.373
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -104.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1230.641376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.641376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.641376 (E_RNA)
where:
Base-Base interactions energy: -823.999
where: short stacking energy: -361.223
Base-Backbone interact. energy: -1.209
local terms energy: -405.432889
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -87.477
flat angles C4'-P-C4' energy: -85.683
flat angles P-C4'-P energy: -68.956
tors. eta vs tors. theta energy: -70.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -906.981764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.981764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.981764 (E_RNA)
where:
Base-Base interactions energy: -536.392
where: short stacking energy: -229.057
Base-Backbone interact. energy: 2.092
local terms energy: -372.681536
where:
bonds (distance) C4'-P energy: -109.273
bonds (distance) P-C4' energy: -110.868
flat angles C4'-P-C4' energy: -96.573
flat angles P-C4'-P energy: -35.000
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -540.504019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.504019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.504019 (E_RNA)
where:
Base-Base interactions energy: -223.400
where: short stacking energy: -169.002
Base-Backbone interact. energy: -2.104
local terms energy: -314.999598
where:
bonds (distance) C4'-P energy: -92.825
bonds (distance) P-C4' energy: -89.666
flat angles C4'-P-C4' energy: -102.104
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: 8.572
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: 350
Temperature: 0.900000
Total energy: -2086.157984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.157984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.157984 (E_RNA)
where:
Base-Base interactions energy: -1461.511
where: short stacking energy: -574.878
Base-Backbone interact. energy: -2.675
local terms energy: -621.972347
where:
bonds (distance) C4'-P energy: -119.578
bonds (distance) P-C4' energy: -124.748
flat angles C4'-P-C4' energy: -132.228
flat angles P-C4'-P energy: -86.722
tors. eta vs tors. theta energy: -158.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1937.524115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.524115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.524115 (E_RNA)
where:
Base-Base interactions energy: -1352.825
where: short stacking energy: -549.358
Base-Backbone interact. energy: -0.005
local terms energy: -584.694364
where:
bonds (distance) C4'-P energy: -102.136
bonds (distance) P-C4' energy: -110.829
flat angles C4'-P-C4' energy: -121.951
flat angles P-C4'-P energy: -90.549
tors. eta vs tors. theta energy: -159.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1920.202915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.202915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.202915 (E_RNA)
where:
Base-Base interactions energy: -1310.218
where: short stacking energy: -542.824
Base-Backbone interact. energy: -2.767
local terms energy: -607.217765
where:
bonds (distance) C4'-P energy: -115.376
bonds (distance) P-C4' energy: -119.142
flat angles C4'-P-C4' energy: -133.983
flat angles P-C4'-P energy: -90.617
tors. eta vs tors. theta energy: -148.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1740.661899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.661899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.661899 (E_RNA)
where:
Base-Base interactions energy: -1220.949
where: short stacking energy: -497.211
Base-Backbone interact. energy: -0.333
local terms energy: -519.379628
where:
bonds (distance) C4'-P energy: -96.247
bonds (distance) P-C4' energy: -110.091
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -70.064
tors. eta vs tors. theta energy: -127.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1478.423144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.423144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.423144 (E_RNA)
where:
Base-Base interactions energy: -999.180
where: short stacking energy: -435.425
Base-Backbone interact. energy: -0.782
local terms energy: -478.460971
where:
bonds (distance) C4'-P energy: -86.532
bonds (distance) P-C4' energy: -111.474
flat angles C4'-P-C4' energy: -104.187
flat angles P-C4'-P energy: -67.691
tors. eta vs tors. theta energy: -108.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1478.998084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.998084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.998084 (E_RNA)
where:
Base-Base interactions energy: -972.566
where: short stacking energy: -420.087
Base-Backbone interact. energy: -2.346
local terms energy: -504.086240
where:
bonds (distance) C4'-P energy: -124.365
bonds (distance) P-C4' energy: -92.310
flat angles C4'-P-C4' energy: -106.509
flat angles P-C4'-P energy: -67.594
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: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1421.569850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.569850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.569850 (E_RNA)
where:
Base-Base interactions energy: -960.175
where: short stacking energy: -410.872
Base-Backbone interact. energy: 5.292
local terms energy: -466.686664
where:
bonds (distance) C4'-P energy: -103.802
bonds (distance) P-C4' energy: -75.583
flat angles C4'-P-C4' energy: -123.712
flat angles P-C4'-P energy: -57.174
tors. eta vs tors. theta energy: -106.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1187.350057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.350057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.350057 (E_RNA)
where:
Base-Base interactions energy: -755.023
where: short stacking energy: -357.357
Base-Backbone interact. energy: -0.520
local terms energy: -431.807370
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -97.532
flat angles C4'-P-C4' energy: -100.186
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -82.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -943.308603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.308603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.308603 (E_RNA)
where:
Base-Base interactions energy: -609.115
where: short stacking energy: -298.423
Base-Backbone interact. energy: 4.504
local terms energy: -338.697906
where:
bonds (distance) C4'-P energy: -86.962
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -90.135
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -22.652
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: 350
Temperature: 1.350000
Total energy: -552.761004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.761004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.761004 (E_RNA)
where:
Base-Base interactions energy: -245.021
where: short stacking energy: -183.024
Base-Backbone interact. energy: 4.892
local terms energy: -312.631608
where:
bonds (distance) C4'-P energy: -90.861
bonds (distance) P-C4' energy: -98.733
flat angles C4'-P-C4' energy: -82.731
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: 10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2112.777863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.777863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.777863 (E_RNA)
where:
Base-Base interactions energy: -1489.484
where: short stacking energy: -599.495
Base-Backbone interact. energy: -1.496
local terms energy: -621.797549
where:
bonds (distance) C4'-P energy: -112.168
bonds (distance) P-C4' energy: -121.078
flat angles C4'-P-C4' energy: -124.831
flat angles P-C4'-P energy: -90.864
tors. eta vs tors. theta energy: -172.857
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1981.340658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.340658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.340658 (E_RNA)
where:
Base-Base interactions energy: -1398.089
where: short stacking energy: -583.489
Base-Backbone interact. energy: -6.802
local terms energy: -576.449849
where:
bonds (distance) C4'-P energy: -109.798
bonds (distance) P-C4' energy: -97.587
flat angles C4'-P-C4' energy: -122.173
flat angles P-C4'-P energy: -85.379
tors. eta vs tors. theta energy: -161.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1920.808018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.808018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.808018 (E_RNA)
where:
Base-Base interactions energy: -1361.589
where: short stacking energy: -555.827
Base-Backbone interact. energy: -0.325
local terms energy: -558.893895
where:
bonds (distance) C4'-P energy: -109.000
bonds (distance) P-C4' energy: -105.876
flat angles C4'-P-C4' energy: -123.423
flat angles P-C4'-P energy: -71.556
tors. eta vs tors. theta energy: -149.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1731.792043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.792043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.792043 (E_RNA)
where:
Base-Base interactions energy: -1218.888
where: short stacking energy: -506.447
Base-Backbone interact. energy: 0.139
local terms energy: -513.043162
where:
bonds (distance) C4'-P energy: -91.219
bonds (distance) P-C4' energy: -98.236
flat angles C4'-P-C4' energy: -122.639
flat angles P-C4'-P energy: -81.936
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: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1499.437751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.437751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.437751 (E_RNA)
where:
Base-Base interactions energy: -978.374
where: short stacking energy: -441.525
Base-Backbone interact. energy: -3.393
local terms energy: -517.670615
where:
bonds (distance) C4'-P energy: -92.286
bonds (distance) P-C4' energy: -108.636
flat angles C4'-P-C4' energy: -122.536
flat angles P-C4'-P energy: -85.940
tors. eta vs tors. theta energy: -108.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1481.220647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.220647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.220647 (E_RNA)
where:
Base-Base interactions energy: -996.503
where: short stacking energy: -441.001
Base-Backbone interact. energy: -0.106
local terms energy: -484.611540
where:
bonds (distance) C4'-P energy: -110.883
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -107.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1438.499075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.499075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.499075 (E_RNA)
where:
Base-Base interactions energy: -965.206
where: short stacking energy: -416.499
Base-Backbone interact. energy: -2.592
local terms energy: -470.700774
where:
bonds (distance) C4'-P energy: -96.517
bonds (distance) P-C4' energy: -83.413
flat angles C4'-P-C4' energy: -108.527
flat angles P-C4'-P energy: -74.153
tors. eta vs tors. theta energy: -108.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1299.348656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.348656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.348656 (E_RNA)
where:
Base-Base interactions energy: -827.440
where: short stacking energy: -388.632
Base-Backbone interact. energy: 2.872
local terms energy: -474.781136
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -104.782
flat angles C4'-P-C4' energy: -104.445
flat angles P-C4'-P energy: -68.856
tors. eta vs tors. theta energy: -94.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -928.572372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.572372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.572372 (E_RNA)
where:
Base-Base interactions energy: -553.398
where: short stacking energy: -256.451
Base-Backbone interact. energy: -0.850
local terms energy: -374.325331
where:
bonds (distance) C4'-P energy: -102.774
bonds (distance) P-C4' energy: -103.986
flat angles C4'-P-C4' energy: -75.086
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -581.464971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.464971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.464971 (E_RNA)
where:
Base-Base interactions energy: -259.938
where: short stacking energy: -161.701
Base-Backbone interact. energy: 3.639
local terms energy: -325.166268
where:
bonds (distance) C4'-P energy: -78.220
bonds (distance) P-C4' energy: -101.361
flat angles C4'-P-C4' energy: -94.552
flat angles P-C4'-P energy: -56.526
tors. eta vs tors. theta energy: 5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2112.509453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.509453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.509453 (E_RNA)
where:
Base-Base interactions energy: -1498.554
where: short stacking energy: -617.537
Base-Backbone interact. energy: -4.802
local terms energy: -609.152607
where:
bonds (distance) C4'-P energy: -121.631
bonds (distance) P-C4' energy: -104.019
flat angles C4'-P-C4' energy: -129.173
flat angles P-C4'-P energy: -81.221
tors. eta vs tors. theta energy: -173.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1957.820589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.820589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.820589 (E_RNA)
where:
Base-Base interactions energy: -1357.822
where: short stacking energy: -549.967
Base-Backbone interact. energy: 0.532
local terms energy: -600.530407
where:
bonds (distance) C4'-P energy: -111.132
bonds (distance) P-C4' energy: -114.667
flat angles C4'-P-C4' energy: -131.818
flat angles P-C4'-P energy: -84.480
tors. eta vs tors. theta energy: -158.433
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: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1935.117760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.117760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.117760 (E_RNA)
where:
Base-Base interactions energy: -1339.248
where: short stacking energy: -556.723
Base-Backbone interact. energy: -4.153
local terms energy: -591.717372
where:
bonds (distance) C4'-P energy: -105.393
bonds (distance) P-C4' energy: -113.708
flat angles C4'-P-C4' energy: -131.853
flat angles P-C4'-P energy: -81.306
tors. eta vs tors. theta energy: -159.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1740.390608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.390608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.390608 (E_RNA)
where:
Base-Base interactions energy: -1223.324
where: short stacking energy: -496.206
Base-Backbone interact. energy: 4.673
local terms energy: -521.739507
where:
bonds (distance) C4'-P energy: -101.961
bonds (distance) P-C4' energy: -104.952
flat angles C4'-P-C4' energy: -118.326
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: -131.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1496.612864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.612864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.612864 (E_RNA)
where:
Base-Base interactions energy: -1007.338
where: short stacking energy: -458.193
Base-Backbone interact. energy: -3.201
local terms energy: -486.073660
where:
bonds (distance) C4'-P energy: -74.613
bonds (distance) P-C4' energy: -103.303
flat angles C4'-P-C4' energy: -125.260
flat angles P-C4'-P energy: -66.167
tors. eta vs tors. theta energy: -116.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1464.367656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.367656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.367656 (E_RNA)
where:
Base-Base interactions energy: -989.453
where: short stacking energy: -434.640
Base-Backbone interact. energy: -2.028
local terms energy: -472.886427
where:
bonds (distance) C4'-P energy: -93.892
bonds (distance) P-C4' energy: -111.185
flat angles C4'-P-C4' energy: -95.309
flat angles P-C4'-P energy: -59.697
tors. eta vs tors. theta energy: -112.803
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: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1417.673023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.673023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.673023 (E_RNA)
where:
Base-Base interactions energy: -932.722
where: short stacking energy: -404.766
Base-Backbone interact. energy: -3.290
local terms energy: -481.661398
where:
bonds (distance) C4'-P energy: -101.408
bonds (distance) P-C4' energy: -104.388
flat angles C4'-P-C4' energy: -112.501
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -101.079
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1246.331374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.331374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.331374 (E_RNA)
where:
Base-Base interactions energy: -829.629
where: short stacking energy: -335.380
Base-Backbone interact. energy: -2.075
local terms energy: -414.627607
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -107.003
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -64.241
tors. eta vs tors. theta energy: -81.831
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: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -943.183648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.183648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.183648 (E_RNA)
where:
Base-Base interactions energy: -558.629
where: short stacking energy: -278.499
Base-Backbone interact. energy: -1.475
local terms energy: -383.080468
where:
bonds (distance) C4'-P energy: -84.940
bonds (distance) P-C4' energy: -111.460
flat angles C4'-P-C4' energy: -105.926
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -37.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -518.519755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.519755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.519755 (E_RNA)
where:
Base-Base interactions energy: -215.416
where: short stacking energy: -135.863
Base-Backbone interact. energy: 5.924
local terms energy: -309.027358
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -94.218
flat angles C4'-P-C4' energy: -81.047
flat angles P-C4'-P energy: -52.800
tors. eta vs tors. theta energy: 21.608
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: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2100.533885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.533885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.533885 (E_RNA)
where:
Base-Base interactions energy: -1490.612
where: short stacking energy: -564.957
Base-Backbone interact. energy: -2.207
local terms energy: -607.714933
where:
bonds (distance) C4'-P energy: -109.346
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -133.223
flat angles P-C4'-P energy: -96.456
tors. eta vs tors. theta energy: -160.888
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1972.535985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.535985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.535985 (E_RNA)
where:
Base-Base interactions energy: -1374.766
where: short stacking energy: -565.807
Base-Backbone interact. energy: -6.270
local terms energy: -591.499442
where:
bonds (distance) C4'-P energy: -111.997
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -116.564
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -164.733
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: 353
Temperature: 1.000000
Total energy: -1905.230704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.230704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.230704 (E_RNA)
where:
Base-Base interactions energy: -1296.516
where: short stacking energy: -547.241
Base-Backbone interact. energy: -1.554
local terms energy: -607.160955
where:
bonds (distance) C4'-P energy: -107.414
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -129.558
flat angles P-C4'-P energy: -88.226
tors. eta vs tors. theta energy: -167.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1806.350473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.350473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.350473 (E_RNA)
where:
Base-Base interactions energy: -1251.321
where: short stacking energy: -514.065
Base-Backbone interact. energy: -0.835
local terms energy: -554.194234
where:
bonds (distance) C4'-P energy: -106.934
bonds (distance) P-C4' energy: -103.045
flat angles C4'-P-C4' energy: -120.211
flat angles P-C4'-P energy: -85.504
tors. eta vs tors. theta energy: -138.500
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: 353
Temperature: 1.100000
Total energy: -1507.878107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.878107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.878107 (E_RNA)
where:
Base-Base interactions energy: -996.501
where: short stacking energy: -412.154
Base-Backbone interact. energy: -1.297
local terms energy: -510.080407
where:
bonds (distance) C4'-P energy: -100.139
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -106.867
flat angles P-C4'-P energy: -72.913
tors. eta vs tors. theta energy: -120.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1440.466572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.466572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.466572 (E_RNA)
where:
Base-Base interactions energy: -938.179
where: short stacking energy: -428.061
Base-Backbone interact. energy: 0.564
local terms energy: -502.851406
where:
bonds (distance) C4'-P energy: -107.888
bonds (distance) P-C4' energy: -108.140
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -69.241
tors. eta vs tors. theta energy: -98.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1404.514988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.514988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.514988 (E_RNA)
where:
Base-Base interactions energy: -916.915
where: short stacking energy: -404.479
Base-Backbone interact. energy: -2.425
local terms energy: -485.175462
where:
bonds (distance) C4'-P energy: -95.916
bonds (distance) P-C4' energy: -104.078
flat angles C4'-P-C4' energy: -110.765
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -101.742
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: 353
Temperature: 1.250000
Total energy: -1246.508332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.508332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.508332 (E_RNA)
where:
Base-Base interactions energy: -820.268
where: short stacking energy: -349.389
Base-Backbone interact. energy: 0.147
local terms energy: -426.387274
where:
bonds (distance) C4'-P energy: -108.748
bonds (distance) P-C4' energy: -101.002
flat angles C4'-P-C4' energy: -109.315
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -65.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -953.341283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.341283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.341283 (E_RNA)
where:
Base-Base interactions energy: -596.688
where: short stacking energy: -283.364
Base-Backbone interact. energy: 2.333
local terms energy: -358.986061
where:
bonds (distance) C4'-P energy: -85.717
bonds (distance) P-C4' energy: -83.331
flat angles C4'-P-C4' energy: -88.515
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -45.177
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: 353
Temperature: 1.350000
Total energy: -553.907440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.907440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.907440 (E_RNA)
where:
Base-Base interactions energy: -242.265
where: short stacking energy: -146.337
Base-Backbone interact. energy: -1.428
local terms energy: -310.214769
where:
bonds (distance) C4'-P energy: -91.719
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -74.094
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: 15.875
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: 354
Temperature: 0.900000
Total energy: -2120.210227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.210227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.210227 (E_RNA)
where:
Base-Base interactions energy: -1514.486
where: short stacking energy: -574.346
Base-Backbone interact. energy: -0.518
local terms energy: -605.206357
where:
bonds (distance) C4'-P energy: -124.295
bonds (distance) P-C4' energy: -116.075
flat angles C4'-P-C4' energy: -117.611
flat angles P-C4'-P energy: -85.729
tors. eta vs tors. theta energy: -161.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1986.387910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.387910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.387910 (E_RNA)
where:
Base-Base interactions energy: -1385.757
where: short stacking energy: -566.455
Base-Backbone interact. energy: -3.423
local terms energy: -597.208166
where:
bonds (distance) C4'-P energy: -107.209
bonds (distance) P-C4' energy: -119.737
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -73.662
tors. eta vs tors. theta energy: -175.402
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: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1916.852828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.852828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.852828 (E_RNA)
where:
Base-Base interactions energy: -1349.643
where: short stacking energy: -552.142
Base-Backbone interact. energy: -0.921
local terms energy: -566.288318
where:
bonds (distance) C4'-P energy: -106.930
bonds (distance) P-C4' energy: -106.583
flat angles C4'-P-C4' energy: -120.402
flat angles P-C4'-P energy: -83.425
tors. eta vs tors. theta energy: -148.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1822.822567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.822567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.822567 (E_RNA)
where:
Base-Base interactions energy: -1266.061
where: short stacking energy: -505.159
Base-Backbone interact. energy: -4.103
local terms energy: -552.658724
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -120.582
flat angles C4'-P-C4' energy: -118.300
flat angles P-C4'-P energy: -84.530
tors. eta vs tors. theta energy: -134.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1568.190638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.190638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.190638 (E_RNA)
where:
Base-Base interactions energy: -1030.560
where: short stacking energy: -451.056
Base-Backbone interact. energy: 2.950
local terms energy: -540.580836
where:
bonds (distance) C4'-P energy: -116.485
bonds (distance) P-C4' energy: -122.910
flat angles C4'-P-C4' energy: -109.825
flat angles P-C4'-P energy: -69.531
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: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1420.565157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.565157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.565157 (E_RNA)
where:
Base-Base interactions energy: -935.470
where: short stacking energy: -400.664
Base-Backbone interact. energy: -0.740
local terms energy: -484.354846
where:
bonds (distance) C4'-P energy: -97.461
bonds (distance) P-C4' energy: -102.923
flat angles C4'-P-C4' energy: -103.582
flat angles P-C4'-P energy: -76.662
tors. eta vs tors. theta energy: -103.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1385.824901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.824901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.824901 (E_RNA)
where:
Base-Base interactions energy: -924.430
where: short stacking energy: -427.462
Base-Backbone interact. energy: -0.002
local terms energy: -461.392367
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -97.422
flat angles P-C4'-P energy: -67.493
tors. eta vs tors. theta energy: -114.059
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: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1236.441103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.441103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.441103 (E_RNA)
where:
Base-Base interactions energy: -782.249
where: short stacking energy: -347.821
Base-Backbone interact. energy: 1.079
local terms energy: -455.271442
where:
bonds (distance) C4'-P energy: -94.372
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -98.986
flat angles P-C4'-P energy: -72.218
tors. eta vs tors. theta energy: -80.320
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: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -882.145702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.145702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.145702 (E_RNA)
where:
Base-Base interactions energy: -513.283
where: short stacking energy: -242.716
Base-Backbone interact. energy: 2.695
local terms energy: -371.557810
where:
bonds (distance) C4'-P energy: -110.352
bonds (distance) P-C4' energy: -95.748
flat angles C4'-P-C4' energy: -83.221
flat angles P-C4'-P energy: -55.386
tors. eta vs tors. theta energy: -26.851
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: 354
Temperature: 1.350000
Total energy: -560.991317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.991317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.991317 (E_RNA)
where:
Base-Base interactions energy: -294.944
where: short stacking energy: -173.049
Base-Backbone interact. energy: -1.447
local terms energy: -264.600455
where:
bonds (distance) C4'-P energy: -87.946
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -68.839
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: 16.968
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: 355
Temperature: 0.900000
Total energy: -2125.310756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.310756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.310756 (E_RNA)
where:
Base-Base interactions energy: -1498.925
where: short stacking energy: -585.595
Base-Backbone interact. energy: -1.143
local terms energy: -625.242896
where:
bonds (distance) C4'-P energy: -113.496
bonds (distance) P-C4' energy: -126.880
flat angles C4'-P-C4' energy: -132.655
flat angles P-C4'-P energy: -90.269
tors. eta vs tors. theta energy: -161.943
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: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2022.476328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.476328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.476328 (E_RNA)
where:
Base-Base interactions energy: -1393.897
where: short stacking energy: -575.245
Base-Backbone interact. energy: -5.723
local terms energy: -622.856671
where:
bonds (distance) C4'-P energy: -121.455
bonds (distance) P-C4' energy: -115.207
flat angles C4'-P-C4' energy: -126.160
flat angles P-C4'-P energy: -92.880
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: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1895.033196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.033196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.033196 (E_RNA)
where:
Base-Base interactions energy: -1330.487
where: short stacking energy: -533.056
Base-Backbone interact. energy: -2.283
local terms energy: -562.263496
where:
bonds (distance) C4'-P energy: -113.803
bonds (distance) P-C4' energy: -106.178
flat angles C4'-P-C4' energy: -124.679
flat angles P-C4'-P energy: -72.341
tors. eta vs tors. theta energy: -145.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1836.841656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.841656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.841656 (E_RNA)
where:
Base-Base interactions energy: -1272.195
where: short stacking energy: -530.982
Base-Backbone interact. energy: 1.869
local terms energy: -566.516215
where:
bonds (distance) C4'-P energy: -105.769
bonds (distance) P-C4' energy: -110.490
flat angles C4'-P-C4' energy: -130.686
flat angles P-C4'-P energy: -72.089
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1526.348855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.348855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.348855 (E_RNA)
where:
Base-Base interactions energy: -999.570
where: short stacking energy: -453.185
Base-Backbone interact. energy: -2.681
local terms energy: -524.097316
where:
bonds (distance) C4'-P energy: -100.929
bonds (distance) P-C4' energy: -104.345
flat angles C4'-P-C4' energy: -122.788
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -113.759
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: 355
Temperature: 1.150000
Total energy: -1497.049824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.049824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.049824 (E_RNA)
where:
Base-Base interactions energy: -981.986
where: short stacking energy: -441.433
Base-Backbone interact. energy: -0.936
local terms energy: -514.127462
where:
bonds (distance) C4'-P energy: -106.763
bonds (distance) P-C4' energy: -107.563
flat angles C4'-P-C4' energy: -110.744
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: -130.420
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: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1405.019016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.019016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.019016 (E_RNA)
where:
Base-Base interactions energy: -952.439
where: short stacking energy: -396.227
Base-Backbone interact. energy: -1.745
local terms energy: -450.834916
where:
bonds (distance) C4'-P energy: -89.281
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -110.344
flat angles P-C4'-P energy: -53.948
tors. eta vs tors. theta energy: -103.688
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1291.388146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.388146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.388146 (E_RNA)
where:
Base-Base interactions energy: -860.635
where: short stacking energy: -360.705
Base-Backbone interact. energy: -4.823
local terms energy: -425.930359
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -106.149
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: -81.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -989.308102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.308102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.308102 (E_RNA)
where:
Base-Base interactions energy: -622.728
where: short stacking energy: -290.176
Base-Backbone interact. energy: -1.448
local terms energy: -365.131803
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -85.178
flat angles C4'-P-C4' energy: -90.417
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: -39.515
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: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -633.779316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.779316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.779316 (E_RNA)
where:
Base-Base interactions energy: -307.290
where: short stacking energy: -189.447
Base-Backbone interact. energy: -1.264
local terms energy: -325.225107
where:
bonds (distance) C4'-P energy: -97.604
bonds (distance) P-C4' energy: -93.022
flat angles C4'-P-C4' energy: -74.385
flat angles P-C4'-P energy: -46.997
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2065.609989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.609989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.609989 (E_RNA)
where:
Base-Base interactions energy: -1457.600
where: short stacking energy: -576.546
Base-Backbone interact. energy: 1.672
local terms energy: -609.681793
where:
bonds (distance) C4'-P energy: -118.540
bonds (distance) P-C4' energy: -116.176
flat angles C4'-P-C4' energy: -128.980
flat angles P-C4'-P energy: -91.551
tors. eta vs tors. theta energy: -154.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1990.251566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.251566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.251566 (E_RNA)
where:
Base-Base interactions energy: -1376.446
where: short stacking energy: -574.221
Base-Backbone interact. energy: -4.700
local terms energy: -609.105904
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -116.735
flat angles C4'-P-C4' energy: -126.083
flat angles P-C4'-P energy: -94.331
tors. eta vs tors. theta energy: -174.362
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: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1907.120735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.120735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.120735 (E_RNA)
where:
Base-Base interactions energy: -1319.890
where: short stacking energy: -555.567
Base-Backbone interact. energy: -2.370
local terms energy: -584.861387
where:
bonds (distance) C4'-P energy: -106.565
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -126.602
flat angles P-C4'-P energy: -79.615
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: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1823.232523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.232523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.232523 (E_RNA)
where:
Base-Base interactions energy: -1273.243
where: short stacking energy: -532.887
Base-Backbone interact. energy: -2.235
local terms energy: -547.754068
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -108.890
flat angles C4'-P-C4' energy: -119.598
flat angles P-C4'-P energy: -80.804
tors. eta vs tors. theta energy: -151.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1480.360912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.360912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.360912 (E_RNA)
where:
Base-Base interactions energy: -990.493
where: short stacking energy: -431.113
Base-Backbone interact. energy: 3.630
local terms energy: -493.497700
where:
bonds (distance) C4'-P energy: -112.868
bonds (distance) P-C4' energy: -89.244
flat angles C4'-P-C4' energy: -116.841
flat angles P-C4'-P energy: -70.437
tors. eta vs tors. theta energy: -104.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1432.317049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.317049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.317049 (E_RNA)
where:
Base-Base interactions energy: -916.516
where: short stacking energy: -430.794
Base-Backbone interact. energy: 1.005
local terms energy: -516.806145
where:
bonds (distance) C4'-P energy: -99.829
bonds (distance) P-C4' energy: -113.928
flat angles C4'-P-C4' energy: -111.399
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: -108.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1391.094086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.094086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.094086 (E_RNA)
where:
Base-Base interactions energy: -920.109
where: short stacking energy: -411.593
Base-Backbone interact. energy: -2.154
local terms energy: -468.830973
where:
bonds (distance) C4'-P energy: -106.896
bonds (distance) P-C4' energy: -91.486
flat angles C4'-P-C4' energy: -100.960
flat angles P-C4'-P energy: -66.780
tors. eta vs tors. theta energy: -102.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1321.688790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.688790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.688790 (E_RNA)
where:
Base-Base interactions energy: -856.408
where: short stacking energy: -388.399
Base-Backbone interact. energy: 4.428
local terms energy: -469.709035
where:
bonds (distance) C4'-P energy: -109.717
bonds (distance) P-C4' energy: -103.829
flat angles C4'-P-C4' energy: -99.890
flat angles P-C4'-P energy: -61.712
tors. eta vs tors. theta energy: -94.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -981.100667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.100667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.100667 (E_RNA)
where:
Base-Base interactions energy: -597.172
where: short stacking energy: -296.944
Base-Backbone interact. energy: -0.687
local terms energy: -383.241164
where:
bonds (distance) C4'-P energy: -93.043
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -104.686
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -47.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -629.598876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.598876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.598876 (E_RNA)
where:
Base-Base interactions energy: -313.823
where: short stacking energy: -185.600
Base-Backbone interact. energy: 4.619
local terms energy: -320.394712
where:
bonds (distance) C4'-P energy: -87.068
bonds (distance) P-C4' energy: -115.175
flat angles C4'-P-C4' energy: -67.981
flat angles P-C4'-P energy: -54.935
tors. eta vs tors. theta energy: 4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2098.023978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.023978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.023978 (E_RNA)
where:
Base-Base interactions energy: -1480.430
where: short stacking energy: -568.147
Base-Backbone interact. energy: -1.463
local terms energy: -616.131272
where:
bonds (distance) C4'-P energy: -109.216
bonds (distance) P-C4' energy: -120.014
flat angles C4'-P-C4' energy: -132.588
flat angles P-C4'-P energy: -89.067
tors. eta vs tors. theta energy: -165.245
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2006.587034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.587034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.587034 (E_RNA)
where:
Base-Base interactions energy: -1389.026
where: short stacking energy: -568.540
Base-Backbone interact. energy: -1.949
local terms energy: -615.612147
where:
bonds (distance) C4'-P energy: -118.104
bonds (distance) P-C4' energy: -118.369
flat angles C4'-P-C4' energy: -132.126
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -165.407
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: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1878.790845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.790845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.790845 (E_RNA)
where:
Base-Base interactions energy: -1295.550
where: short stacking energy: -535.743
Base-Backbone interact. energy: -4.490
local terms energy: -578.750776
where:
bonds (distance) C4'-P energy: -108.157
bonds (distance) P-C4' energy: -120.487
flat angles C4'-P-C4' energy: -119.420
flat angles P-C4'-P energy: -85.595
tors. eta vs tors. theta energy: -145.092
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: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1870.196485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.196485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.196485 (E_RNA)
where:
Base-Base interactions energy: -1287.907
where: short stacking energy: -553.450
Base-Backbone interact. energy: -3.934
local terms energy: -578.355488
where:
bonds (distance) C4'-P energy: -106.025
bonds (distance) P-C4' energy: -111.983
flat angles C4'-P-C4' energy: -133.891
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -153.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1510.446162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.446162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.446162 (E_RNA)
where:
Base-Base interactions energy: -996.066
where: short stacking energy: -448.600
Base-Backbone interact. energy: -0.839
local terms energy: -513.541136
where:
bonds (distance) C4'-P energy: -87.401
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -129.830
flat angles P-C4'-P energy: -67.569
tors. eta vs tors. theta energy: -110.346
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: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1443.040563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.040563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.040563 (E_RNA)
where:
Base-Base interactions energy: -960.733
where: short stacking energy: -432.646
Base-Backbone interact. energy: 2.012
local terms energy: -484.319708
where:
bonds (distance) C4'-P energy: -96.846
bonds (distance) P-C4' energy: -116.511
flat angles C4'-P-C4' energy: -88.435
flat angles P-C4'-P energy: -78.355
tors. eta vs tors. theta energy: -104.173
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1394.663446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.663446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.663446 (E_RNA)
where:
Base-Base interactions energy: -930.608
where: short stacking energy: -432.623
Base-Backbone interact. energy: 0.210
local terms energy: -464.265681
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -108.554
flat angles P-C4'-P energy: -55.723
tors. eta vs tors. theta energy: -111.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1259.481881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.481881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.481881 (E_RNA)
where:
Base-Base interactions energy: -837.919
where: short stacking energy: -366.764
Base-Backbone interact. energy: -1.757
local terms energy: -419.805907
where:
bonds (distance) C4'-P energy: -94.128
bonds (distance) P-C4' energy: -97.151
flat angles C4'-P-C4' energy: -81.062
flat angles P-C4'-P energy: -73.573
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -955.278602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.278602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.278602 (E_RNA)
where:
Base-Base interactions energy: -567.324
where: short stacking energy: -263.144
Base-Backbone interact. energy: -2.901
local terms energy: -385.053856
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -100.757
flat angles C4'-P-C4' energy: -96.263
flat angles P-C4'-P energy: -68.715
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -598.826092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.826092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.826092 (E_RNA)
where:
Base-Base interactions energy: -304.747
where: short stacking energy: -183.658
Base-Backbone interact. energy: -2.256
local terms energy: -291.823474
where:
bonds (distance) C4'-P energy: -85.892
bonds (distance) P-C4' energy: -101.852
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -4.015
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: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2103.793747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.793747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.793747 (E_RNA)
where:
Base-Base interactions energy: -1481.526
where: short stacking energy: -596.977
Base-Backbone interact. energy: 2.321
local terms energy: -624.589000
where:
bonds (distance) C4'-P energy: -122.679
bonds (distance) P-C4' energy: -121.171
flat angles C4'-P-C4' energy: -128.447
flat angles P-C4'-P energy: -82.987
tors. eta vs tors. theta energy: -169.304
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2010.979211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.979211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.979211 (E_RNA)
where:
Base-Base interactions energy: -1392.174
where: short stacking energy: -571.484
Base-Backbone interact. energy: -2.106
local terms energy: -616.698953
where:
bonds (distance) C4'-P energy: -95.786
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -133.910
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -170.545
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: 358
Temperature: 1.000000
Total energy: -1852.712268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.712268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.712268 (E_RNA)
where:
Base-Base interactions energy: -1293.586
where: short stacking energy: -520.168
Base-Backbone interact. energy: -0.162
local terms energy: -558.964305
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -121.596
flat angles P-C4'-P energy: -79.830
tors. eta vs tors. theta energy: -151.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1838.381131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.381131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.381131 (E_RNA)
where:
Base-Base interactions energy: -1266.991
where: short stacking energy: -521.481
Base-Backbone interact. energy: -4.875
local terms energy: -566.514637
where:
bonds (distance) C4'-P energy: -103.144
bonds (distance) P-C4' energy: -116.421
flat angles C4'-P-C4' energy: -120.032
flat angles P-C4'-P energy: -87.431
tors. eta vs tors. theta energy: -139.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1487.462004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.462004 (E_RNA)
where:
Base-Base interactions energy: -972.762
where: short stacking energy: -438.269
Base-Backbone interact. energy: -1.614
local terms energy: -513.086417
where:
bonds (distance) C4'-P energy: -112.650
bonds (distance) P-C4' energy: -111.814
flat angles C4'-P-C4' energy: -106.254
flat angles P-C4'-P energy: -83.528
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: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1416.654293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.654293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.654293 (E_RNA)
where:
Base-Base interactions energy: -955.086
where: short stacking energy: -425.140
Base-Backbone interact. energy: -1.022
local terms energy: -460.546388
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -98.663
flat angles C4'-P-C4' energy: -109.214
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -102.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1425.610044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.610044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.610044 (E_RNA)
where:
Base-Base interactions energy: -947.462
where: short stacking energy: -437.031
Base-Backbone interact. energy: 1.477
local terms energy: -479.625718
where:
bonds (distance) C4'-P energy: -104.582
bonds (distance) P-C4' energy: -102.757
flat angles C4'-P-C4' energy: -101.188
flat angles P-C4'-P energy: -64.887
tors. eta vs tors. theta energy: -106.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1279.284942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.284942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.284942 (E_RNA)
where:
Base-Base interactions energy: -814.913
where: short stacking energy: -383.049
Base-Backbone interact. energy: 4.365
local terms energy: -468.737500
where:
bonds (distance) C4'-P energy: -106.235
bonds (distance) P-C4' energy: -98.702
flat angles C4'-P-C4' energy: -99.538
flat angles P-C4'-P energy: -70.284
tors. eta vs tors. theta energy: -93.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -944.869195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.869195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.869195 (E_RNA)
where:
Base-Base interactions energy: -582.065
where: short stacking energy: -254.948
Base-Backbone interact. energy: 0.939
local terms energy: -363.743788
where:
bonds (distance) C4'-P energy: -87.743
bonds (distance) P-C4' energy: -94.006
flat angles C4'-P-C4' energy: -90.766
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -29.419
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: 358
Temperature: 1.350000
Total energy: -612.648621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.648621 (E_RNA)
where:
Base-Base interactions energy: -292.727
where: short stacking energy: -168.505
Base-Backbone interact. energy: 0.651
local terms energy: -320.572758
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -104.060
flat angles C4'-P-C4' energy: -85.083
flat angles P-C4'-P energy: -63.485
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2123.470349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.470349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.470349 (E_RNA)
where:
Base-Base interactions energy: -1487.009
where: short stacking energy: -603.557
Base-Backbone interact. energy: -1.922
local terms energy: -634.539106
where:
bonds (distance) C4'-P energy: -123.793
bonds (distance) P-C4' energy: -122.909
flat angles C4'-P-C4' energy: -135.739
flat angles P-C4'-P energy: -79.680
tors. eta vs tors. theta energy: -172.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2013.304209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.304209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.304209 (E_RNA)
where:
Base-Base interactions energy: -1397.427
where: short stacking energy: -555.085
Base-Backbone interact. energy: -2.623
local terms energy: -613.254208
where:
bonds (distance) C4'-P energy: -111.957
bonds (distance) P-C4' energy: -123.377
flat angles C4'-P-C4' energy: -127.230
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -162.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1877.343832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.343832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.343832 (E_RNA)
where:
Base-Base interactions energy: -1315.716
where: short stacking energy: -526.546
Base-Backbone interact. energy: 0.446
local terms energy: -562.073970
where:
bonds (distance) C4'-P energy: -105.724
bonds (distance) P-C4' energy: -106.535
flat angles C4'-P-C4' energy: -121.523
flat angles P-C4'-P energy: -88.966
tors. eta vs tors. theta energy: -139.326
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: 359
Temperature: 1.050000
Total energy: -1857.739496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.739496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.739496 (E_RNA)
where:
Base-Base interactions energy: -1272.773
where: short stacking energy: -527.238
Base-Backbone interact. energy: -3.894
local terms energy: -581.072521
where:
bonds (distance) C4'-P energy: -105.270
bonds (distance) P-C4' energy: -122.385
flat angles C4'-P-C4' energy: -130.728
flat angles P-C4'-P energy: -83.065
tors. eta vs tors. theta energy: -139.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1467.249290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.249290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.249290 (E_RNA)
where:
Base-Base interactions energy: -967.003
where: short stacking energy: -457.414
Base-Backbone interact. energy: 2.395
local terms energy: -502.640837
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -111.250
flat angles C4'-P-C4' energy: -107.915
flat angles P-C4'-P energy: -72.380
tors. eta vs tors. theta energy: -130.770
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1547.810243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.810243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.810243 (E_RNA)
where:
Base-Base interactions energy: -1031.182
where: short stacking energy: -436.944
Base-Backbone interact. energy: -0.908
local terms energy: -515.719914
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -106.148
flat angles C4'-P-C4' energy: -118.021
flat angles P-C4'-P energy: -77.065
tors. eta vs tors. theta energy: -101.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1427.306539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.306539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.306539 (E_RNA)
where:
Base-Base interactions energy: -958.104
where: short stacking energy: -434.346
Base-Backbone interact. energy: -0.653
local terms energy: -468.549375
where:
bonds (distance) C4'-P energy: -87.427
bonds (distance) P-C4' energy: -90.539
flat angles C4'-P-C4' energy: -105.210
flat angles P-C4'-P energy: -67.562
tors. eta vs tors. theta energy: -117.812
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: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1204.531311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.531311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.531311 (E_RNA)
where:
Base-Base interactions energy: -796.229
where: short stacking energy: -356.341
Base-Backbone interact. energy: 2.408
local terms energy: -410.710160
where:
bonds (distance) C4'-P energy: -99.491
bonds (distance) P-C4' energy: -91.563
flat angles C4'-P-C4' energy: -95.247
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -73.085
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: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -927.757864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.757864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.757864 (E_RNA)
where:
Base-Base interactions energy: -576.505
where: short stacking energy: -260.214
Base-Backbone interact. energy: -0.604
local terms energy: -350.648754
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -97.045
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -615.152221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.152221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.152221 (E_RNA)
where:
Base-Base interactions energy: -328.266
where: short stacking energy: -143.138
Base-Backbone interact. energy: 0.193
local terms energy: -287.079371
where:
bonds (distance) C4'-P energy: -84.287
bonds (distance) P-C4' energy: -80.447
flat angles C4'-P-C4' energy: -88.186
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: 10.870
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: 360
Temperature: 0.900000
Total energy: -2125.037173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.037173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.037173 (E_RNA)
where:
Base-Base interactions energy: -1498.337
where: short stacking energy: -589.330
Base-Backbone interact. energy: -1.264
local terms energy: -625.436307
where:
bonds (distance) C4'-P energy: -108.625
bonds (distance) P-C4' energy: -131.332
flat angles C4'-P-C4' energy: -128.906
flat angles P-C4'-P energy: -91.286
tors. eta vs tors. theta energy: -165.287
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2001.665880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.665880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.665880 (E_RNA)
where:
Base-Base interactions energy: -1416.220
where: short stacking energy: -568.399
Base-Backbone interact. energy: 1.308
local terms energy: -586.753442
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -119.746
flat angles C4'-P-C4' energy: -111.546
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: -167.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1876.542458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.542458 (E_RNA)
where:
Base-Base interactions energy: -1312.693
where: short stacking energy: -530.785
Base-Backbone interact. energy: -5.586
local terms energy: -558.263808
where:
bonds (distance) C4'-P energy: -118.291
bonds (distance) P-C4' energy: -101.041
flat angles C4'-P-C4' energy: -107.582
flat angles P-C4'-P energy: -81.802
tors. eta vs tors. theta energy: -149.548
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: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1796.117823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.117823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.117823 (E_RNA)
where:
Base-Base interactions energy: -1224.562
where: short stacking energy: -508.396
Base-Backbone interact. energy: -1.638
local terms energy: -569.917546
where:
bonds (distance) C4'-P energy: -112.617
bonds (distance) P-C4' energy: -99.788
flat angles C4'-P-C4' energy: -125.312
flat angles P-C4'-P energy: -89.896
tors. eta vs tors. theta energy: -142.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1578.289790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.289790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.289790 (E_RNA)
where:
Base-Base interactions energy: -1049.247
where: short stacking energy: -463.226
Base-Backbone interact. energy: 0.461
local terms energy: -529.503398
where:
bonds (distance) C4'-P energy: -102.787
bonds (distance) P-C4' energy: -102.578
flat angles C4'-P-C4' energy: -120.641
flat angles P-C4'-P energy: -80.871
tors. eta vs tors. theta energy: -122.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1399.243554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.243554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.243554 (E_RNA)
where:
Base-Base interactions energy: -897.911
where: short stacking energy: -414.115
Base-Backbone interact. energy: -0.572
local terms energy: -500.760742
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -109.312
flat angles P-C4'-P energy: -69.884
tors. eta vs tors. theta energy: -114.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1364.787295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.787295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.787295 (E_RNA)
where:
Base-Base interactions energy: -904.374
where: short stacking energy: -390.041
Base-Backbone interact. energy: -2.285
local terms energy: -458.128724
where:
bonds (distance) C4'-P energy: -101.031
bonds (distance) P-C4' energy: -103.421
flat angles C4'-P-C4' energy: -101.712
flat angles P-C4'-P energy: -53.418
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1217.461801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.461801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.461801 (E_RNA)
where:
Base-Base interactions energy: -788.335
where: short stacking energy: -338.206
Base-Backbone interact. energy: -3.475
local terms energy: -425.651071
where:
bonds (distance) C4'-P energy: -83.836
bonds (distance) P-C4' energy: -102.762
flat angles C4'-P-C4' energy: -109.148
flat angles P-C4'-P energy: -55.405
tors. eta vs tors. theta energy: -74.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -908.528356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.528356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.528356 (E_RNA)
where:
Base-Base interactions energy: -549.157
where: short stacking energy: -289.185
Base-Backbone interact. energy: -2.191
local terms energy: -357.180478
where:
bonds (distance) C4'-P energy: -81.434
bonds (distance) P-C4' energy: -101.905
flat angles C4'-P-C4' energy: -92.023
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: -42.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -581.000730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.000730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.000730 (E_RNA)
where:
Base-Base interactions energy: -292.083
where: short stacking energy: -177.686
Base-Backbone interact. energy: 2.875
local terms energy: -291.792691
where:
bonds (distance) C4'-P energy: -76.073
bonds (distance) P-C4' energy: -111.259
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -47.309
tors. eta vs tors. theta energy: 12.339
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: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2122.628013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.628013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.628013 (E_RNA)
where:
Base-Base interactions energy: -1499.718
where: short stacking energy: -592.321
Base-Backbone interact. energy: -2.136
local terms energy: -620.774007
where:
bonds (distance) C4'-P energy: -111.736
bonds (distance) P-C4' energy: -119.146
flat angles C4'-P-C4' energy: -136.821
flat angles P-C4'-P energy: -89.590
tors. eta vs tors. theta energy: -163.481
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1984.733946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.733946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.733946 (E_RNA)
where:
Base-Base interactions energy: -1364.188
where: short stacking energy: -561.634
Base-Backbone interact. energy: -1.604
local terms energy: -618.942187
where:
bonds (distance) C4'-P energy: -116.583
bonds (distance) P-C4' energy: -123.212
flat angles C4'-P-C4' energy: -133.099
flat angles P-C4'-P energy: -85.588
tors. eta vs tors. theta energy: -160.462
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: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1906.213679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.213679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.213679 (E_RNA)
where:
Base-Base interactions energy: -1321.976
where: short stacking energy: -527.610
Base-Backbone interact. energy: -4.749
local terms energy: -579.488228
where:
bonds (distance) C4'-P energy: -102.089
bonds (distance) P-C4' energy: -120.929
flat angles C4'-P-C4' energy: -116.416
flat angles P-C4'-P energy: -80.073
tors. eta vs tors. theta energy: -159.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1869.542304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.542304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.542304 (E_RNA)
where:
Base-Base interactions energy: -1298.469
where: short stacking energy: -535.832
Base-Backbone interact. energy: 0.759
local terms energy: -571.832205
where:
bonds (distance) C4'-P energy: -105.122
bonds (distance) P-C4' energy: -106.034
flat angles C4'-P-C4' energy: -117.971
flat angles P-C4'-P energy: -78.216
tors. eta vs tors. theta energy: -164.489
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: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1539.779859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.779859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.779859 (E_RNA)
where:
Base-Base interactions energy: -1042.453
where: short stacking energy: -461.269
Base-Backbone interact. energy: 1.784
local terms energy: -499.110824
where:
bonds (distance) C4'-P energy: -102.457
bonds (distance) P-C4' energy: -110.867
flat angles C4'-P-C4' energy: -103.833
flat angles P-C4'-P energy: -64.800
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: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1443.413801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.413801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.413801 (E_RNA)
where:
Base-Base interactions energy: -918.670
where: short stacking energy: -409.347
Base-Backbone interact. energy: -2.692
local terms energy: -522.052262
where:
bonds (distance) C4'-P energy: -118.445
bonds (distance) P-C4' energy: -109.347
flat angles C4'-P-C4' energy: -110.019
flat angles P-C4'-P energy: -71.293
tors. eta vs tors. theta energy: -112.949
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: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1365.981534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.981534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.981534 (E_RNA)
where:
Base-Base interactions energy: -896.905
where: short stacking energy: -384.697
Base-Backbone interact. energy: 0.040
local terms energy: -469.116425
where:
bonds (distance) C4'-P energy: -107.334
bonds (distance) P-C4' energy: -83.415
flat angles C4'-P-C4' energy: -110.045
flat angles P-C4'-P energy: -74.914
tors. eta vs tors. theta energy: -93.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1304.219107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.219107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.219107 (E_RNA)
where:
Base-Base interactions energy: -839.823
where: short stacking energy: -377.311
Base-Backbone interact. energy: -1.276
local terms energy: -463.120251
where:
bonds (distance) C4'-P energy: -97.555
bonds (distance) P-C4' energy: -101.045
flat angles C4'-P-C4' energy: -118.030
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -90.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -867.390080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.390080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.390080 (E_RNA)
where:
Base-Base interactions energy: -501.674
where: short stacking energy: -239.799
Base-Backbone interact. energy: 0.021
local terms energy: -365.737156
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -98.179
flat angles C4'-P-C4' energy: -102.031
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -502.228120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.228120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.228120 (E_RNA)
where:
Base-Base interactions energy: -193.816
where: short stacking energy: -121.639
Base-Backbone interact. energy: 0.008
local terms energy: -308.420566
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -113.196
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -59.477
tors. eta vs tors. theta energy: 23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2113.687386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.687386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.687386 (E_RNA)
where:
Base-Base interactions energy: -1507.271
where: short stacking energy: -602.656
Base-Backbone interact. energy: 2.657
local terms energy: -609.073587
where:
bonds (distance) C4'-P energy: -125.932
bonds (distance) P-C4' energy: -124.554
flat angles C4'-P-C4' energy: -125.779
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -167.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2011.801515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.801515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.801515 (E_RNA)
where:
Base-Base interactions energy: -1411.096
where: short stacking energy: -588.960
Base-Backbone interact. energy: -1.246
local terms energy: -599.458691
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -110.497
flat angles C4'-P-C4' energy: -131.121
flat angles P-C4'-P energy: -74.472
tors. eta vs tors. theta energy: -171.353
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: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1882.449065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.449065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.449065 (E_RNA)
where:
Base-Base interactions energy: -1304.929
where: short stacking energy: -527.908
Base-Backbone interact. energy: -1.399
local terms energy: -576.120786
where:
bonds (distance) C4'-P energy: -100.003
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -126.357
flat angles P-C4'-P energy: -89.245
tors. eta vs tors. theta energy: -152.542
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: 362
Temperature: 1.050000
Total energy: -1849.919350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.919350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.919350 (E_RNA)
where:
Base-Base interactions energy: -1289.470
where: short stacking energy: -525.731
Base-Backbone interact. energy: -4.301
local terms energy: -556.147704
where:
bonds (distance) C4'-P energy: -100.713
bonds (distance) P-C4' energy: -111.237
flat angles C4'-P-C4' energy: -122.976
flat angles P-C4'-P energy: -82.601
tors. eta vs tors. theta energy: -138.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1521.351181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.351181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.351181 (E_RNA)
where:
Base-Base interactions energy: -1000.542
where: short stacking energy: -429.613
Base-Backbone interact. energy: -0.439
local terms energy: -520.369345
where:
bonds (distance) C4'-P energy: -108.857
bonds (distance) P-C4' energy: -107.590
flat angles C4'-P-C4' energy: -116.373
flat angles P-C4'-P energy: -71.466
tors. eta vs tors. theta energy: -116.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1412.855742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.855742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.855742 (E_RNA)
where:
Base-Base interactions energy: -910.864
where: short stacking energy: -405.250
Base-Backbone interact. energy: -1.738
local terms energy: -500.253679
where:
bonds (distance) C4'-P energy: -99.639
bonds (distance) P-C4' energy: -103.064
flat angles C4'-P-C4' energy: -119.652
flat angles P-C4'-P energy: -86.162
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1388.516377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.516377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.516377 (E_RNA)
where:
Base-Base interactions energy: -901.597
where: short stacking energy: -407.678
Base-Backbone interact. energy: -0.846
local terms energy: -486.072891
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -115.122
flat angles C4'-P-C4' energy: -104.856
flat angles P-C4'-P energy: -78.311
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: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1233.292841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.292841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.292841 (E_RNA)
where:
Base-Base interactions energy: -811.136
where: short stacking energy: -335.086
Base-Backbone interact. energy: 5.427
local terms energy: -427.584308
where:
bonds (distance) C4'-P energy: -102.212
bonds (distance) P-C4' energy: -89.597
flat angles C4'-P-C4' energy: -89.778
flat angles P-C4'-P energy: -75.277
tors. eta vs tors. theta energy: -70.720
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: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -945.090761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.090761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.090761 (E_RNA)
where:
Base-Base interactions energy: -570.661
where: short stacking energy: -260.357
Base-Backbone interact. energy: -1.382
local terms energy: -373.048289
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -116.607
flat angles C4'-P-C4' energy: -90.632
flat angles P-C4'-P energy: -53.954
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -586.021919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.021919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.021919 (E_RNA)
where:
Base-Base interactions energy: -276.436
where: short stacking energy: -169.096
Base-Backbone interact. energy: -1.904
local terms energy: -307.682243
where:
bonds (distance) C4'-P energy: -84.780
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -87.887
flat angles P-C4'-P energy: -47.423
tors. eta vs tors. theta energy: 6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2105.776780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.776780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.776780 (E_RNA)
where:
Base-Base interactions energy: -1467.249
where: short stacking energy: -598.469
Base-Backbone interact. energy: -0.565
local terms energy: -637.963333
where:
bonds (distance) C4'-P energy: -111.768
bonds (distance) P-C4' energy: -115.673
flat angles C4'-P-C4' energy: -138.829
flat angles P-C4'-P energy: -93.955
tors. eta vs tors. theta energy: -177.738
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1988.542348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.542348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.542348 (E_RNA)
where:
Base-Base interactions energy: -1398.723
where: short stacking energy: -564.815
Base-Backbone interact. energy: -1.290
local terms energy: -588.528533
where:
bonds (distance) C4'-P energy: -96.855
bonds (distance) P-C4' energy: -118.096
flat angles C4'-P-C4' energy: -133.360
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -161.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1898.797584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.797584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.797584 (E_RNA)
where:
Base-Base interactions energy: -1316.938
where: short stacking energy: -527.024
Base-Backbone interact. energy: -6.320
local terms energy: -575.540028
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -103.559
flat angles C4'-P-C4' energy: -134.694
flat angles P-C4'-P energy: -72.769
tors. eta vs tors. theta energy: -148.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1846.983762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.983762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.983762 (E_RNA)
where:
Base-Base interactions energy: -1303.212
where: short stacking energy: -513.316
Base-Backbone interact. energy: -6.268
local terms energy: -537.503286
where:
bonds (distance) C4'-P energy: -85.000
bonds (distance) P-C4' energy: -101.346
flat angles C4'-P-C4' energy: -124.610
flat angles P-C4'-P energy: -81.378
tors. eta vs tors. theta energy: -145.169
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: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1520.820942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.820942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.820942 (E_RNA)
where:
Base-Base interactions energy: -1028.928
where: short stacking energy: -411.388
Base-Backbone interact. energy: 1.453
local terms energy: -493.346163
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -104.043
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -57.423
tors. eta vs tors. theta energy: -102.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1399.409984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.409984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.409984 (E_RNA)
where:
Base-Base interactions energy: -918.537
where: short stacking energy: -422.969
Base-Backbone interact. energy: -0.973
local terms energy: -479.900472
where:
bonds (distance) C4'-P energy: -98.060
bonds (distance) P-C4' energy: -101.451
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -76.180
tors. eta vs tors. theta energy: -92.196
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: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1333.245990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.245990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.245990 (E_RNA)
where:
Base-Base interactions energy: -877.353
where: short stacking energy: -396.731
Base-Backbone interact. energy: -2.985
local terms energy: -452.908359
where:
bonds (distance) C4'-P energy: -96.204
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -89.460
flat angles P-C4'-P energy: -67.714
tors. eta vs tors. theta energy: -94.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1251.570835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.570835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.570835 (E_RNA)
where:
Base-Base interactions energy: -807.049
where: short stacking energy: -345.795
Base-Backbone interact. energy: 7.181
local terms energy: -451.702911
where:
bonds (distance) C4'-P energy: -94.436
bonds (distance) P-C4' energy: -108.301
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -72.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -921.520350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.520350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.520350 (E_RNA)
where:
Base-Base interactions energy: -585.340
where: short stacking energy: -288.513
Base-Backbone interact. energy: 1.634
local terms energy: -337.814004
where:
bonds (distance) C4'-P energy: -100.226
bonds (distance) P-C4' energy: -95.888
flat angles C4'-P-C4' energy: -75.150
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -654.040442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.040442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.040442 (E_RNA)
where:
Base-Base interactions energy: -347.903
where: short stacking energy: -192.003
Base-Backbone interact. energy: -0.293
local terms energy: -305.844815
where:
bonds (distance) C4'-P energy: -85.218
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -82.667
flat angles P-C4'-P energy: -47.516
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2081.280427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.280427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.280427 (E_RNA)
where:
Base-Base interactions energy: -1434.979
where: short stacking energy: -583.749
Base-Backbone interact. energy: -2.393
local terms energy: -643.908874
where:
bonds (distance) C4'-P energy: -118.547
bonds (distance) P-C4' energy: -118.058
flat angles C4'-P-C4' energy: -134.273
flat angles P-C4'-P energy: -99.684
tors. eta vs tors. theta energy: -173.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1983.961301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.961301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.961301 (E_RNA)
where:
Base-Base interactions energy: -1388.525
where: short stacking energy: -571.349
Base-Backbone interact. energy: -2.131
local terms energy: -593.304406
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -130.250
flat angles P-C4'-P energy: -90.268
tors. eta vs tors. theta energy: -161.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1849.187776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.187776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.187776 (E_RNA)
where:
Base-Base interactions energy: -1250.871
where: short stacking energy: -532.320
Base-Backbone interact. energy: -2.869
local terms energy: -595.447839
where:
bonds (distance) C4'-P energy: -106.714
bonds (distance) P-C4' energy: -128.534
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -80.443
tors. eta vs tors. theta energy: -157.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1859.545397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.545397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.545397 (E_RNA)
where:
Base-Base interactions energy: -1311.444
where: short stacking energy: -525.613
Base-Backbone interact. energy: -0.210
local terms energy: -547.891594
where:
bonds (distance) C4'-P energy: -103.246
bonds (distance) P-C4' energy: -101.315
flat angles C4'-P-C4' energy: -118.197
flat angles P-C4'-P energy: -78.713
tors. eta vs tors. theta energy: -146.422
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: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1521.874600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.874600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.874600 (E_RNA)
where:
Base-Base interactions energy: -1020.362
where: short stacking energy: -438.576
Base-Backbone interact. energy: -2.491
local terms energy: -499.022204
where:
bonds (distance) C4'-P energy: -102.259
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -109.745
flat angles P-C4'-P energy: -80.465
tors. eta vs tors. theta energy: -109.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1445.296180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.296180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.296180 (E_RNA)
where:
Base-Base interactions energy: -926.636
where: short stacking energy: -408.371
Base-Backbone interact. energy: -2.196
local terms energy: -516.464199
where:
bonds (distance) C4'-P energy: -107.301
bonds (distance) P-C4' energy: -112.470
flat angles C4'-P-C4' energy: -123.732
flat angles P-C4'-P energy: -70.483
tors. eta vs tors. theta energy: -102.477
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: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1390.362569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.362569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.362569 (E_RNA)
where:
Base-Base interactions energy: -918.261
where: short stacking energy: -429.088
Base-Backbone interact. energy: -3.281
local terms energy: -468.820719
where:
bonds (distance) C4'-P energy: -92.617
bonds (distance) P-C4' energy: -93.756
flat angles C4'-P-C4' energy: -108.473
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: -100.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1331.770257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.770257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.770257 (E_RNA)
where:
Base-Base interactions energy: -874.969
where: short stacking energy: -386.398
Base-Backbone interact. energy: -0.708
local terms energy: -456.093342
where:
bonds (distance) C4'-P energy: -101.507
bonds (distance) P-C4' energy: -92.582
flat angles C4'-P-C4' energy: -99.322
flat angles P-C4'-P energy: -79.036
tors. eta vs tors. theta energy: -83.647
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -910.486055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.486055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.486055 (E_RNA)
where:
Base-Base interactions energy: -541.890
where: short stacking energy: -250.242
Base-Backbone interact. energy: 2.191
local terms energy: -370.787184
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -112.920
flat angles C4'-P-C4' energy: -88.874
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -673.418875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.418875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.418875 (E_RNA)
where:
Base-Base interactions energy: -345.048
where: short stacking energy: -202.294
Base-Backbone interact. energy: -0.457
local terms energy: -327.913757
where:
bonds (distance) C4'-P energy: -108.448
bonds (distance) P-C4' energy: -93.316
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2131.502615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.502615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.502615 (E_RNA)
where:
Base-Base interactions energy: -1504.264
where: short stacking energy: -604.944
Base-Backbone interact. energy: -2.025
local terms energy: -625.213535
where:
bonds (distance) C4'-P energy: -121.681
bonds (distance) P-C4' energy: -113.673
flat angles C4'-P-C4' energy: -137.505
flat angles P-C4'-P energy: -86.862
tors. eta vs tors. theta energy: -165.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1946.961059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.961059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.961059 (E_RNA)
where:
Base-Base interactions energy: -1367.251
where: short stacking energy: -570.117
Base-Backbone interact. energy: -0.505
local terms energy: -579.204775
where:
bonds (distance) C4'-P energy: -109.964
bonds (distance) P-C4' energy: -106.409
flat angles C4'-P-C4' energy: -111.608
flat angles P-C4'-P energy: -90.807
tors. eta vs tors. theta energy: -160.416
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: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1877.510148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.510148 (E_RNA)
where:
Base-Base interactions energy: -1290.005
where: short stacking energy: -500.445
Base-Backbone interact. energy: -1.685
local terms energy: -585.819521
where:
bonds (distance) C4'-P energy: -111.588
bonds (distance) P-C4' energy: -120.298
flat angles C4'-P-C4' energy: -124.819
flat angles P-C4'-P energy: -92.267
tors. eta vs tors. theta energy: -136.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1833.178411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.178411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.178411 (E_RNA)
where:
Base-Base interactions energy: -1256.920
where: short stacking energy: -521.746
Base-Backbone interact. energy: -3.633
local terms energy: -572.624845
where:
bonds (distance) C4'-P energy: -111.686
bonds (distance) P-C4' energy: -104.601
flat angles C4'-P-C4' energy: -125.498
flat angles P-C4'-P energy: -80.962
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: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1529.675888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.675888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.675888 (E_RNA)
where:
Base-Base interactions energy: -1010.575
where: short stacking energy: -447.533
Base-Backbone interact. energy: -0.028
local terms energy: -519.073444
where:
bonds (distance) C4'-P energy: -99.727
bonds (distance) P-C4' energy: -114.742
flat angles C4'-P-C4' energy: -121.854
flat angles P-C4'-P energy: -69.985
tors. eta vs tors. theta energy: -112.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1399.932239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.932239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.932239 (E_RNA)
where:
Base-Base interactions energy: -889.177
where: short stacking energy: -418.629
Base-Backbone interact. energy: -2.551
local terms energy: -508.204997
where:
bonds (distance) C4'-P energy: -98.521
bonds (distance) P-C4' energy: -112.810
flat angles C4'-P-C4' energy: -110.177
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -103.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1410.787258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.787258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.787258 (E_RNA)
where:
Base-Base interactions energy: -919.182
where: short stacking energy: -409.063
Base-Backbone interact. energy: -2.010
local terms energy: -489.595419
where:
bonds (distance) C4'-P energy: -111.576
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -107.452
flat angles P-C4'-P energy: -56.044
tors. eta vs tors. theta energy: -99.305
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: 365
Temperature: 1.250000
Total energy: -1348.997350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.997350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.997350 (E_RNA)
where:
Base-Base interactions energy: -927.333
where: short stacking energy: -391.165
Base-Backbone interact. energy: -0.713
local terms energy: -420.951230
where:
bonds (distance) C4'-P energy: -80.224
bonds (distance) P-C4' energy: -78.084
flat angles C4'-P-C4' energy: -111.456
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -89.093
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: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -888.147632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.147632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.147632 (E_RNA)
where:
Base-Base interactions energy: -512.019
where: short stacking energy: -264.313
Base-Backbone interact. energy: -0.386
local terms energy: -375.743133
where:
bonds (distance) C4'-P energy: -82.076
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -35.250
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -672.494411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.494411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.494411 (E_RNA)
where:
Base-Base interactions energy: -341.056
where: short stacking energy: -196.057
Base-Backbone interact. energy: 2.642
local terms energy: -334.080289
where:
bonds (distance) C4'-P energy: -84.920
bonds (distance) P-C4' energy: -89.812
flat angles C4'-P-C4' energy: -95.548
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2129.668593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.668593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.668593 (E_RNA)
where:
Base-Base interactions energy: -1502.672
where: short stacking energy: -603.654
Base-Backbone interact. energy: -3.251
local terms energy: -623.746195
where:
bonds (distance) C4'-P energy: -108.665
bonds (distance) P-C4' energy: -123.566
flat angles C4'-P-C4' energy: -132.468
flat angles P-C4'-P energy: -86.056
tors. eta vs tors. theta energy: -172.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1979.125424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.125424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.125424 (E_RNA)
where:
Base-Base interactions energy: -1339.922
where: short stacking energy: -566.530
Base-Backbone interact. energy: -3.687
local terms energy: -635.516122
where:
bonds (distance) C4'-P energy: -113.536
bonds (distance) P-C4' energy: -119.399
flat angles C4'-P-C4' energy: -135.140
flat angles P-C4'-P energy: -104.855
tors. eta vs tors. theta energy: -162.587
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: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1852.024813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.024813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.024813 (E_RNA)
where:
Base-Base interactions energy: -1267.657
where: short stacking energy: -531.290
Base-Backbone interact. energy: -4.832
local terms energy: -579.535383
where:
bonds (distance) C4'-P energy: -106.882
bonds (distance) P-C4' energy: -113.361
flat angles C4'-P-C4' energy: -123.348
flat angles P-C4'-P energy: -93.992
tors. eta vs tors. theta energy: -141.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1810.857452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.857452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.857452 (E_RNA)
where:
Base-Base interactions energy: -1276.472
where: short stacking energy: -515.999
Base-Backbone interact. energy: -2.354
local terms energy: -532.031719
where:
bonds (distance) C4'-P energy: -107.449
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -109.495
flat angles P-C4'-P energy: -85.935
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: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1506.004508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.004508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.004508 (E_RNA)
where:
Base-Base interactions energy: -1006.093
where: short stacking energy: -428.839
Base-Backbone interact. energy: -0.165
local terms energy: -499.746632
where:
bonds (distance) C4'-P energy: -110.678
bonds (distance) P-C4' energy: -115.124
flat angles C4'-P-C4' energy: -101.359
flat angles P-C4'-P energy: -72.213
tors. eta vs tors. theta energy: -100.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1493.310823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.310823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.310823 (E_RNA)
where:
Base-Base interactions energy: -977.405
where: short stacking energy: -446.286
Base-Backbone interact. energy: -4.630
local terms energy: -511.275832
where:
bonds (distance) C4'-P energy: -108.442
bonds (distance) P-C4' energy: -100.077
flat angles C4'-P-C4' energy: -117.109
flat angles P-C4'-P energy: -59.297
tors. eta vs tors. theta energy: -126.351
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1404.010436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.010436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.010436 (E_RNA)
where:
Base-Base interactions energy: -944.940
where: short stacking energy: -416.372
Base-Backbone interact. energy: 0.384
local terms energy: -459.454865
where:
bonds (distance) C4'-P energy: -93.200
bonds (distance) P-C4' energy: -97.750
flat angles C4'-P-C4' energy: -103.025
flat angles P-C4'-P energy: -66.432
tors. eta vs tors. theta energy: -99.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1302.579542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.579542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.579542 (E_RNA)
where:
Base-Base interactions energy: -857.360
where: short stacking energy: -369.527
Base-Backbone interact. energy: -2.935
local terms energy: -442.284161
where:
bonds (distance) C4'-P energy: -98.541
bonds (distance) P-C4' energy: -96.721
flat angles C4'-P-C4' energy: -99.106
flat angles P-C4'-P energy: -66.274
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -938.354873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.354873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.354873 (E_RNA)
where:
Base-Base interactions energy: -560.037
where: short stacking energy: -284.523
Base-Backbone interact. energy: -2.437
local terms energy: -375.880530
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -108.860
flat angles C4'-P-C4' energy: -89.022
flat angles P-C4'-P energy: -58.180
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: 366
Temperature: 1.350000
Total energy: -638.445857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.445857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.445857 (E_RNA)
where:
Base-Base interactions energy: -309.680
where: short stacking energy: -167.942
Base-Backbone interact. energy: -0.368
local terms energy: -328.397360
where:
bonds (distance) C4'-P energy: -87.872
bonds (distance) P-C4' energy: -105.547
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -49.166
tors. eta vs tors. theta energy: 17.372
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: 367
Temperature: 0.900000
Total energy: -2120.339282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.339282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.339282 (E_RNA)
where:
Base-Base interactions energy: -1507.333
where: short stacking energy: -593.108
Base-Backbone interact. energy: 2.325
local terms energy: -615.331954
where:
bonds (distance) C4'-P energy: -108.504
bonds (distance) P-C4' energy: -106.856
flat angles C4'-P-C4' energy: -142.714
flat angles P-C4'-P energy: -87.632
tors. eta vs tors. theta energy: -169.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1980.342517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.342517 (E_RNA)
where:
Base-Base interactions energy: -1385.162
where: short stacking energy: -574.837
Base-Backbone interact. energy: -3.370
local terms energy: -591.810166
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -122.392
flat angles C4'-P-C4' energy: -125.443
flat angles P-C4'-P energy: -85.014
tors. eta vs tors. theta energy: -162.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1881.139248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.139248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.139248 (E_RNA)
where:
Base-Base interactions energy: -1283.864
where: short stacking energy: -535.116
Base-Backbone interact. energy: 1.057
local terms energy: -598.332141
where:
bonds (distance) C4'-P energy: -119.508
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -131.923
flat angles P-C4'-P energy: -79.675
tors. eta vs tors. theta energy: -146.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1806.335139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.335139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.335139 (E_RNA)
where:
Base-Base interactions energy: -1250.005
where: short stacking energy: -503.842
Base-Backbone interact. energy: -3.100
local terms energy: -553.230759
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -110.025
flat angles C4'-P-C4' energy: -130.450
flat angles P-C4'-P energy: -78.935
tors. eta vs tors. theta energy: -136.255
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: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1552.274340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.274340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.274340 (E_RNA)
where:
Base-Base interactions energy: -1026.437
where: short stacking energy: -430.467
Base-Backbone interact. energy: -2.556
local terms energy: -523.281429
where:
bonds (distance) C4'-P energy: -97.342
bonds (distance) P-C4' energy: -103.276
flat angles C4'-P-C4' energy: -125.300
flat angles P-C4'-P energy: -79.268
tors. eta vs tors. theta energy: -118.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1430.172500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.172500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.172500 (E_RNA)
where:
Base-Base interactions energy: -924.850
where: short stacking energy: -428.114
Base-Backbone interact. energy: 0.849
local terms energy: -506.171759
where:
bonds (distance) C4'-P energy: -103.670
bonds (distance) P-C4' energy: -99.396
flat angles C4'-P-C4' energy: -124.926
flat angles P-C4'-P energy: -75.742
tors. eta vs tors. theta energy: -102.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1411.249122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.249122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.249122 (E_RNA)
where:
Base-Base interactions energy: -937.557
where: short stacking energy: -416.600
Base-Backbone interact. energy: -0.811
local terms energy: -472.880842
where:
bonds (distance) C4'-P energy: -95.132
bonds (distance) P-C4' energy: -102.878
flat angles C4'-P-C4' energy: -116.956
flat angles P-C4'-P energy: -67.573
tors. eta vs tors. theta energy: -90.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1334.084814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.084814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.084814 (E_RNA)
where:
Base-Base interactions energy: -881.444
where: short stacking energy: -380.969
Base-Backbone interact. energy: -1.108
local terms energy: -451.532607
where:
bonds (distance) C4'-P energy: -88.250
bonds (distance) P-C4' energy: -84.979
flat angles C4'-P-C4' energy: -103.108
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -102.929
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: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -897.535062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.535062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.535062 (E_RNA)
where:
Base-Base interactions energy: -528.184
where: short stacking energy: -251.177
Base-Backbone interact. energy: -1.769
local terms energy: -367.581583
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -107.631
flat angles C4'-P-C4' energy: -85.278
flat angles P-C4'-P energy: -57.064
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -661.497334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.497334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.497334 (E_RNA)
where:
Base-Base interactions energy: -349.202
where: short stacking energy: -177.957
Base-Backbone interact. energy: -0.461
local terms energy: -311.834332
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -89.879
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -1.643
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: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2103.510444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.510444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.510444 (E_RNA)
where:
Base-Base interactions energy: -1466.595
where: short stacking energy: -575.060
Base-Backbone interact. energy: -2.918
local terms energy: -633.997954
where:
bonds (distance) C4'-P energy: -119.245
bonds (distance) P-C4' energy: -129.012
flat angles C4'-P-C4' energy: -126.341
flat angles P-C4'-P energy: -83.455
tors. eta vs tors. theta energy: -175.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2003.656070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.656070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.656070 (E_RNA)
where:
Base-Base interactions energy: -1392.218
where: short stacking energy: -587.999
Base-Backbone interact. energy: -2.932
local terms energy: -608.506204
where:
bonds (distance) C4'-P energy: -114.236
bonds (distance) P-C4' energy: -120.796
flat angles C4'-P-C4' energy: -124.193
flat angles P-C4'-P energy: -86.189
tors. eta vs tors. theta energy: -163.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1883.528705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.528705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.528705 (E_RNA)
where:
Base-Base interactions energy: -1300.076
where: short stacking energy: -553.362
Base-Backbone interact. energy: -2.413
local terms energy: -581.039643
where:
bonds (distance) C4'-P energy: -110.319
bonds (distance) P-C4' energy: -115.455
flat angles C4'-P-C4' energy: -116.490
flat angles P-C4'-P energy: -85.949
tors. eta vs tors. theta energy: -152.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1778.174169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.174169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.174169 (E_RNA)
where:
Base-Base interactions energy: -1214.214
where: short stacking energy: -506.275
Base-Backbone interact. energy: -0.672
local terms energy: -563.287702
where:
bonds (distance) C4'-P energy: -108.982
bonds (distance) P-C4' energy: -116.261
flat angles C4'-P-C4' energy: -121.230
flat angles P-C4'-P energy: -71.644
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: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1551.234716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.234716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.234716 (E_RNA)
where:
Base-Base interactions energy: -1020.847
where: short stacking energy: -462.247
Base-Backbone interact. energy: -1.668
local terms energy: -528.719920
where:
bonds (distance) C4'-P energy: -117.984
bonds (distance) P-C4' energy: -92.018
flat angles C4'-P-C4' energy: -119.585
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -123.064
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: 368
Temperature: 1.150000
Total energy: -1462.093610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.093610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.093610 (E_RNA)
where:
Base-Base interactions energy: -959.115
where: short stacking energy: -437.284
Base-Backbone interact. energy: -0.557
local terms energy: -502.420910
where:
bonds (distance) C4'-P energy: -104.983
bonds (distance) P-C4' energy: -98.248
flat angles C4'-P-C4' energy: -112.137
flat angles P-C4'-P energy: -77.870
tors. eta vs tors. theta energy: -109.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1393.829710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.829710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.829710 (E_RNA)
where:
Base-Base interactions energy: -935.445
where: short stacking energy: -404.823
Base-Backbone interact. energy: -3.042
local terms energy: -455.342267
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -98.340
flat angles P-C4'-P energy: -66.490
tors. eta vs tors. theta energy: -97.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1319.920185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.920185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.920185 (E_RNA)
where:
Base-Base interactions energy: -876.048
where: short stacking energy: -397.228
Base-Backbone interact. energy: 0.717
local terms energy: -444.588779
where:
bonds (distance) C4'-P energy: -94.877
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -98.017
flat angles P-C4'-P energy: -59.805
tors. eta vs tors. theta energy: -93.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -877.526775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.526775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.526775 (E_RNA)
where:
Base-Base interactions energy: -515.148
where: short stacking energy: -256.916
Base-Backbone interact. energy: -2.148
local terms energy: -360.231063
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -90.503
flat angles P-C4'-P energy: -61.331
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -693.245793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.245793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.245793 (E_RNA)
where:
Base-Base interactions energy: -352.831
where: short stacking energy: -163.628
Base-Backbone interact. energy: -1.217
local terms energy: -339.198023
where:
bonds (distance) C4'-P energy: -86.389
bonds (distance) P-C4' energy: -109.044
flat angles C4'-P-C4' energy: -89.746
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2087.678414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.678414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.678414 (E_RNA)
where:
Base-Base interactions energy: -1481.630
where: short stacking energy: -594.166
Base-Backbone interact. energy: -5.200
local terms energy: -600.848308
where:
bonds (distance) C4'-P energy: -105.793
bonds (distance) P-C4' energy: -104.179
flat angles C4'-P-C4' energy: -117.244
flat angles P-C4'-P energy: -90.996
tors. eta vs tors. theta energy: -182.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2002.708994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.708994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.708994 (E_RNA)
where:
Base-Base interactions energy: -1381.914
where: short stacking energy: -538.315
Base-Backbone interact. energy: -4.207
local terms energy: -616.587627
where:
bonds (distance) C4'-P energy: -118.291
bonds (distance) P-C4' energy: -122.387
flat angles C4'-P-C4' energy: -131.063
flat angles P-C4'-P energy: -88.208
tors. eta vs tors. theta energy: -156.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1835.347408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.347408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.347408 (E_RNA)
where:
Base-Base interactions energy: -1260.247
where: short stacking energy: -512.947
Base-Backbone interact. energy: -1.618
local terms energy: -573.482429
where:
bonds (distance) C4'-P energy: -107.058
bonds (distance) P-C4' energy: -118.672
flat angles C4'-P-C4' energy: -120.950
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -149.157
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: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1818.318926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.318926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.318926 (E_RNA)
where:
Base-Base interactions energy: -1272.318
where: short stacking energy: -504.736
Base-Backbone interact. energy: -1.292
local terms energy: -544.709296
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -100.205
flat angles C4'-P-C4' energy: -112.245
flat angles P-C4'-P energy: -73.024
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1557.059280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.059280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.059280 (E_RNA)
where:
Base-Base interactions energy: -1070.131
where: short stacking energy: -450.430
Base-Backbone interact. energy: 0.287
local terms energy: -487.214938
where:
bonds (distance) C4'-P energy: -105.461
bonds (distance) P-C4' energy: -91.518
flat angles C4'-P-C4' energy: -118.813
flat angles P-C4'-P energy: -58.266
tors. eta vs tors. theta energy: -113.157
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: 369
Temperature: 1.150000
Total energy: -1506.034161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.034161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.034161 (E_RNA)
where:
Base-Base interactions energy: -987.797
where: short stacking energy: -425.446
Base-Backbone interact. energy: -0.521
local terms energy: -517.715345
where:
bonds (distance) C4'-P energy: -98.187
bonds (distance) P-C4' energy: -106.892
flat angles C4'-P-C4' energy: -116.353
flat angles P-C4'-P energy: -73.942
tors. eta vs tors. theta energy: -122.341
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1402.946018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.946018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.946018 (E_RNA)
where:
Base-Base interactions energy: -907.005
where: short stacking energy: -389.809
Base-Backbone interact. energy: -2.532
local terms energy: -493.409729
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -110.812
flat angles C4'-P-C4' energy: -107.462
flat angles P-C4'-P energy: -77.629
tors. eta vs tors. theta energy: -106.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1371.931937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.931937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.931937 (E_RNA)
where:
Base-Base interactions energy: -890.385
where: short stacking energy: -393.627
Base-Backbone interact. energy: -2.033
local terms energy: -479.514121
where:
bonds (distance) C4'-P energy: -87.823
bonds (distance) P-C4' energy: -111.009
flat angles C4'-P-C4' energy: -115.718
flat angles P-C4'-P energy: -68.461
tors. eta vs tors. theta energy: -96.504
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: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -912.292113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.292113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.292113 (E_RNA)
where:
Base-Base interactions energy: -569.003
where: short stacking energy: -273.525
Base-Backbone interact. energy: -2.094
local terms energy: -341.195881
where:
bonds (distance) C4'-P energy: -81.385
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -74.962
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -37.473
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: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -674.541724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.541724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.541724 (E_RNA)
where:
Base-Base interactions energy: -385.456
where: short stacking energy: -193.701
Base-Backbone interact. energy: 2.817
local terms energy: -291.902849
where:
bonds (distance) C4'-P energy: -83.575
bonds (distance) P-C4' energy: -79.248
flat angles C4'-P-C4' energy: -88.698
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: 6.146
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: 370
Temperature: 0.900000
Total energy: -2096.427307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.427307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.427307 (E_RNA)
where:
Base-Base interactions energy: -1472.300
where: short stacking energy: -586.414
Base-Backbone interact. energy: -4.170
local terms energy: -619.957656
where:
bonds (distance) C4'-P energy: -111.973
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -134.295
flat angles P-C4'-P energy: -88.156
tors. eta vs tors. theta energy: -171.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2000.238501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.238501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.238501 (E_RNA)
where:
Base-Base interactions energy: -1390.979
where: short stacking energy: -567.693
Base-Backbone interact. energy: 3.353
local terms energy: -612.612280
where:
bonds (distance) C4'-P energy: -111.148
bonds (distance) P-C4' energy: -114.333
flat angles C4'-P-C4' energy: -129.236
flat angles P-C4'-P energy: -91.821
tors. eta vs tors. theta energy: -166.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1866.120961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.120961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.120961 (E_RNA)
where:
Base-Base interactions energy: -1274.822
where: short stacking energy: -516.370
Base-Backbone interact. energy: -0.904
local terms energy: -590.394572
where:
bonds (distance) C4'-P energy: -97.699
bonds (distance) P-C4' energy: -127.585
flat angles C4'-P-C4' energy: -133.025
flat angles P-C4'-P energy: -84.982
tors. eta vs tors. theta energy: -147.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1821.559513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.559513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.559513 (E_RNA)
where:
Base-Base interactions energy: -1267.195
where: short stacking energy: -518.860
Base-Backbone interact. energy: -1.116
local terms energy: -553.248309
where:
bonds (distance) C4'-P energy: -103.021
bonds (distance) P-C4' energy: -110.615
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -81.213
tors. eta vs tors. theta energy: -139.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1511.157771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.157771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.157771 (E_RNA)
where:
Base-Base interactions energy: -977.529
where: short stacking energy: -444.373
Base-Backbone interact. energy: -0.793
local terms energy: -532.835565
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -110.243
flat angles C4'-P-C4' energy: -133.857
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: -110.062
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: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1440.842186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.842186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.842186 (E_RNA)
where:
Base-Base interactions energy: -992.853
where: short stacking energy: -424.946
Base-Backbone interact. energy: 1.868
local terms energy: -449.857649
where:
bonds (distance) C4'-P energy: -88.739
bonds (distance) P-C4' energy: -101.028
flat angles C4'-P-C4' energy: -101.731
flat angles P-C4'-P energy: -59.233
tors. eta vs tors. theta energy: -99.125
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: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1404.482964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.482964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.482964 (E_RNA)
where:
Base-Base interactions energy: -933.172
where: short stacking energy: -413.233
Base-Backbone interact. energy: 2.456
local terms energy: -473.766679
where:
bonds (distance) C4'-P energy: -109.319
bonds (distance) P-C4' energy: -103.112
flat angles C4'-P-C4' energy: -101.194
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -101.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1353.749559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.749559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.749559 (E_RNA)
where:
Base-Base interactions energy: -918.820
where: short stacking energy: -415.799
Base-Backbone interact. energy: -0.304
local terms energy: -434.625017
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -86.591
flat angles C4'-P-C4' energy: -110.305
flat angles P-C4'-P energy: -65.196
tors. eta vs tors. theta energy: -93.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -917.373383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.373383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.373383 (E_RNA)
where:
Base-Base interactions energy: -566.855
where: short stacking energy: -277.048
Base-Backbone interact. energy: -1.016
local terms energy: -349.502724
where:
bonds (distance) C4'-P energy: -78.556
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -86.986
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -34.668
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: 370
Temperature: 1.350000
Total energy: -687.188419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.188419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.188419 (E_RNA)
where:
Base-Base interactions energy: -358.886
where: short stacking energy: -199.236
Base-Backbone interact. energy: 1.511
local terms energy: -329.814040
where:
bonds (distance) C4'-P energy: -104.967
bonds (distance) P-C4' energy: -94.871
flat angles C4'-P-C4' energy: -69.691
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -5.265
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: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2099.818210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.818210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.818210 (E_RNA)
where:
Base-Base interactions energy: -1468.081
where: short stacking energy: -587.762
Base-Backbone interact. energy: 2.124
local terms energy: -633.861136
where:
bonds (distance) C4'-P energy: -110.527
bonds (distance) P-C4' energy: -123.062
flat angles C4'-P-C4' energy: -143.991
flat angles P-C4'-P energy: -85.392
tors. eta vs tors. theta energy: -170.888
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: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2002.820227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.820227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.820227 (E_RNA)
where:
Base-Base interactions energy: -1379.599
where: short stacking energy: -576.179
Base-Backbone interact. energy: -0.320
local terms energy: -622.901300
where:
bonds (distance) C4'-P energy: -121.123
bonds (distance) P-C4' energy: -123.658
flat angles C4'-P-C4' energy: -130.788
flat angles P-C4'-P energy: -82.488
tors. eta vs tors. theta energy: -164.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1866.639789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.639789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.639789 (E_RNA)
where:
Base-Base interactions energy: -1275.674
where: short stacking energy: -542.562
Base-Backbone interact. energy: -3.321
local terms energy: -587.644288
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -113.332
flat angles C4'-P-C4' energy: -116.150
flat angles P-C4'-P energy: -81.948
tors. eta vs tors. theta energy: -160.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1807.127538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.127538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.127538 (E_RNA)
where:
Base-Base interactions energy: -1247.962
where: short stacking energy: -490.252
Base-Backbone interact. energy: -3.659
local terms energy: -555.507390
where:
bonds (distance) C4'-P energy: -107.476
bonds (distance) P-C4' energy: -105.213
flat angles C4'-P-C4' energy: -130.214
flat angles P-C4'-P energy: -83.953
tors. eta vs tors. theta energy: -128.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1503.071160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.071160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.071160 (E_RNA)
where:
Base-Base interactions energy: -978.605
where: short stacking energy: -441.067
Base-Backbone interact. energy: 1.604
local terms energy: -526.069549
where:
bonds (distance) C4'-P energy: -109.795
bonds (distance) P-C4' energy: -106.790
flat angles C4'-P-C4' energy: -115.697
flat angles P-C4'-P energy: -71.332
tors. eta vs tors. theta energy: -122.455
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: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1434.473421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.473421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.473421 (E_RNA)
where:
Base-Base interactions energy: -949.374
where: short stacking energy: -409.440
Base-Backbone interact. energy: -3.295
local terms energy: -481.804242
where:
bonds (distance) C4'-P energy: -98.614
bonds (distance) P-C4' energy: -102.322
flat angles C4'-P-C4' energy: -117.087
flat angles P-C4'-P energy: -72.686
tors. eta vs tors. theta energy: -91.096
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: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1438.353588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.353588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.353588 (E_RNA)
where:
Base-Base interactions energy: -952.635
where: short stacking energy: -414.995
Base-Backbone interact. energy: 5.269
local terms energy: -490.987915
where:
bonds (distance) C4'-P energy: -114.954
bonds (distance) P-C4' energy: -105.813
flat angles C4'-P-C4' energy: -98.367
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -105.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1363.637414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.637414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.637414 (E_RNA)
where:
Base-Base interactions energy: -893.799
where: short stacking energy: -386.797
Base-Backbone interact. energy: -1.403
local terms energy: -468.435253
where:
bonds (distance) C4'-P energy: -93.375
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -76.958
tors. eta vs tors. theta energy: -92.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -937.283936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.283936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.283936 (E_RNA)
where:
Base-Base interactions energy: -578.662
where: short stacking energy: -297.099
Base-Backbone interact. energy: -4.425
local terms energy: -354.197011
where:
bonds (distance) C4'-P energy: -82.613
bonds (distance) P-C4' energy: -103.572
flat angles C4'-P-C4' energy: -96.241
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -631.533346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.533346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.533346 (E_RNA)
where:
Base-Base interactions energy: -303.034
where: short stacking energy: -158.602
Base-Backbone interact. energy: 2.430
local terms energy: -330.929637
where:
bonds (distance) C4'-P energy: -107.325
bonds (distance) P-C4' energy: -98.769
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: 3.473
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2108.669509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.669509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.669509 (E_RNA)
where:
Base-Base interactions energy: -1472.341
where: short stacking energy: -581.624
Base-Backbone interact. energy: -2.008
local terms energy: -634.320596
where:
bonds (distance) C4'-P energy: -119.227
bonds (distance) P-C4' energy: -110.455
flat angles C4'-P-C4' energy: -140.277
flat angles P-C4'-P energy: -94.570
tors. eta vs tors. theta energy: -169.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2006.982020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.982020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.982020 (E_RNA)
where:
Base-Base interactions energy: -1396.643
where: short stacking energy: -580.482
Base-Backbone interact. energy: 0.745
local terms energy: -611.084419
where:
bonds (distance) C4'-P energy: -102.169
bonds (distance) P-C4' energy: -113.900
flat angles C4'-P-C4' energy: -133.486
flat angles P-C4'-P energy: -96.202
tors. eta vs tors. theta energy: -165.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1866.182610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.182610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.182610 (E_RNA)
where:
Base-Base interactions energy: -1283.315
where: short stacking energy: -525.627
Base-Backbone interact. energy: -2.473
local terms energy: -580.394914
where:
bonds (distance) C4'-P energy: -107.101
bonds (distance) P-C4' energy: -112.366
flat angles C4'-P-C4' energy: -123.819
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -160.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1811.532716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.532716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.532716 (E_RNA)
where:
Base-Base interactions energy: -1249.852
where: short stacking energy: -493.011
Base-Backbone interact. energy: -2.699
local terms energy: -558.981714
where:
bonds (distance) C4'-P energy: -106.789
bonds (distance) P-C4' energy: -107.379
flat angles C4'-P-C4' energy: -123.510
flat angles P-C4'-P energy: -81.495
tors. eta vs tors. theta energy: -139.809
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1586.183311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.183311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.183311 (E_RNA)
where:
Base-Base interactions energy: -1080.120
where: short stacking energy: -483.079
Base-Backbone interact. energy: -2.647
local terms energy: -503.416340
where:
bonds (distance) C4'-P energy: -92.768
bonds (distance) P-C4' energy: -94.133
flat angles C4'-P-C4' energy: -108.756
flat angles P-C4'-P energy: -82.549
tors. eta vs tors. theta energy: -125.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1483.507736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.507736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.507736 (E_RNA)
where:
Base-Base interactions energy: -991.403
where: short stacking energy: -437.789
Base-Backbone interact. energy: -2.416
local terms energy: -489.688558
where:
bonds (distance) C4'-P energy: -97.327
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -111.962
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -97.818
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: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1411.748877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.748877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.748877 (E_RNA)
where:
Base-Base interactions energy: -942.152
where: short stacking energy: -403.175
Base-Backbone interact. energy: -2.202
local terms energy: -467.394656
where:
bonds (distance) C4'-P energy: -108.488
bonds (distance) P-C4' energy: -101.706
flat angles C4'-P-C4' energy: -103.123
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -88.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1301.758725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.758725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.758725 (E_RNA)
where:
Base-Base interactions energy: -877.516
where: short stacking energy: -403.266
Base-Backbone interact. energy: 0.054
local terms energy: -424.296780
where:
bonds (distance) C4'-P energy: -94.539
bonds (distance) P-C4' energy: -76.118
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -79.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -891.850651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.850651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.850651 (E_RNA)
where:
Base-Base interactions energy: -508.277
where: short stacking energy: -233.220
Base-Backbone interact. energy: -0.356
local terms energy: -383.217644
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -90.120
flat angles P-C4'-P energy: -58.939
tors. eta vs tors. theta energy: -35.740
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: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -678.757923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.757923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.757923 (E_RNA)
where:
Base-Base interactions energy: -345.135
where: short stacking energy: -182.760
Base-Backbone interact. energy: 2.395
local terms energy: -336.017730
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -108.960
flat angles C4'-P-C4' energy: -89.239
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -5.458
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: 373
Temperature: 0.900000
Total energy: -2103.213317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.213317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.213317 (E_RNA)
where:
Base-Base interactions energy: -1505.012
where: short stacking energy: -584.055
Base-Backbone interact. energy: -1.185
local terms energy: -597.016783
where:
bonds (distance) C4'-P energy: -113.462
bonds (distance) P-C4' energy: -115.743
flat angles C4'-P-C4' energy: -125.311
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -165.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1989.524235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.524235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.524235 (E_RNA)
where:
Base-Base interactions energy: -1376.747
where: short stacking energy: -580.066
Base-Backbone interact. energy: -3.550
local terms energy: -609.226770
where:
bonds (distance) C4'-P energy: -114.539
bonds (distance) P-C4' energy: -113.371
flat angles C4'-P-C4' energy: -122.773
flat angles P-C4'-P energy: -86.946
tors. eta vs tors. theta energy: -171.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1885.706621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.706621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.706621 (E_RNA)
where:
Base-Base interactions energy: -1290.010
where: short stacking energy: -535.679
Base-Backbone interact. energy: 3.515
local terms energy: -599.211610
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -116.791
flat angles C4'-P-C4' energy: -128.246
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -153.921
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: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1805.953242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.953242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.953242 (E_RNA)
where:
Base-Base interactions energy: -1257.129
where: short stacking energy: -501.980
Base-Backbone interact. energy: -4.364
local terms energy: -544.460653
where:
bonds (distance) C4'-P energy: -96.789
bonds (distance) P-C4' energy: -109.398
flat angles C4'-P-C4' energy: -120.772
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -141.377
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: 373
Temperature: 1.100000
Total energy: -1574.689915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.689915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.689915 (E_RNA)
where:
Base-Base interactions energy: -1029.726
where: short stacking energy: -466.699
Base-Backbone interact. energy: 1.466
local terms energy: -546.429614
where:
bonds (distance) C4'-P energy: -103.062
bonds (distance) P-C4' energy: -112.709
flat angles C4'-P-C4' energy: -126.580
flat angles P-C4'-P energy: -79.509
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: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1473.635107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.635107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.635107 (E_RNA)
where:
Base-Base interactions energy: -959.730
where: short stacking energy: -422.346
Base-Backbone interact. energy: 1.014
local terms energy: -514.918375
where:
bonds (distance) C4'-P energy: -113.562
bonds (distance) P-C4' energy: -113.906
flat angles C4'-P-C4' energy: -114.363
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -102.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1434.951235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.951235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.951235 (E_RNA)
where:
Base-Base interactions energy: -985.861
where: short stacking energy: -407.033
Base-Backbone interact. energy: -3.262
local terms energy: -445.827511
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -88.528
flat angles C4'-P-C4' energy: -98.904
flat angles P-C4'-P energy: -78.058
tors. eta vs tors. theta energy: -97.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1313.502614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.502614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.502614 (E_RNA)
where:
Base-Base interactions energy: -878.624
where: short stacking energy: -366.380
Base-Backbone interact. energy: 1.832
local terms energy: -436.710408
where:
bonds (distance) C4'-P energy: -103.039
bonds (distance) P-C4' energy: -84.239
flat angles C4'-P-C4' energy: -102.364
flat angles P-C4'-P energy: -51.210
tors. eta vs tors. theta energy: -95.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -816.110769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.110769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.110769 (E_RNA)
where:
Base-Base interactions energy: -447.941
where: short stacking energy: -229.156
Base-Backbone interact. energy: -1.659
local terms energy: -366.510356
where:
bonds (distance) C4'-P energy: -96.671
bonds (distance) P-C4' energy: -110.095
flat angles C4'-P-C4' energy: -91.460
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -688.323201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.323201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.323201 (E_RNA)
where:
Base-Base interactions energy: -358.984
where: short stacking energy: -181.834
Base-Backbone interact. energy: -0.683
local terms energy: -328.656339
where:
bonds (distance) C4'-P energy: -108.290
bonds (distance) P-C4' energy: -101.405
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: 13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2124.090212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.090212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.090212 (E_RNA)
where:
Base-Base interactions energy: -1488.497
where: short stacking energy: -584.573
Base-Backbone interact. energy: 0.068
local terms energy: -635.661233
where:
bonds (distance) C4'-P energy: -126.352
bonds (distance) P-C4' energy: -120.453
flat angles C4'-P-C4' energy: -130.142
flat angles P-C4'-P energy: -87.084
tors. eta vs tors. theta energy: -171.630
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: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2006.106879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.106879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.106879 (E_RNA)
where:
Base-Base interactions energy: -1402.865
where: short stacking energy: -592.511
Base-Backbone interact. energy: 2.033
local terms energy: -605.274939
where:
bonds (distance) C4'-P energy: -110.975
bonds (distance) P-C4' energy: -98.083
flat angles C4'-P-C4' energy: -129.853
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -179.173
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1871.989890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.989890 (E_RNA)
where:
Base-Base interactions energy: -1303.085
where: short stacking energy: -559.324
Base-Backbone interact. energy: -1.190
local terms energy: -567.715064
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -124.854
flat angles P-C4'-P energy: -83.133
tors. eta vs tors. theta energy: -152.881
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: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1866.172697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.172697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.172697 (E_RNA)
where:
Base-Base interactions energy: -1290.056
where: short stacking energy: -512.061
Base-Backbone interact. energy: -1.422
local terms energy: -574.695387
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -107.682
flat angles C4'-P-C4' energy: -125.589
flat angles P-C4'-P energy: -88.499
tors. eta vs tors. theta energy: -147.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1609.963628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.963628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.963628 (E_RNA)
where:
Base-Base interactions energy: -1079.996
where: short stacking energy: -497.406
Base-Backbone interact. energy: -2.322
local terms energy: -527.645532
where:
bonds (distance) C4'-P energy: -110.276
bonds (distance) P-C4' energy: -87.478
flat angles C4'-P-C4' energy: -122.112
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -131.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1420.551766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.551766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.551766 (E_RNA)
where:
Base-Base interactions energy: -909.470
where: short stacking energy: -414.706
Base-Backbone interact. energy: 0.443
local terms energy: -511.524354
where:
bonds (distance) C4'-P energy: -101.627
bonds (distance) P-C4' energy: -122.183
flat angles C4'-P-C4' energy: -120.288
flat angles P-C4'-P energy: -58.319
tors. eta vs tors. theta energy: -109.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1408.348944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.348944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.348944 (E_RNA)
where:
Base-Base interactions energy: -958.446
where: short stacking energy: -396.430
Base-Backbone interact. energy: 0.670
local terms energy: -450.572542
where:
bonds (distance) C4'-P energy: -86.344
bonds (distance) P-C4' energy: -88.191
flat angles C4'-P-C4' energy: -102.907
flat angles P-C4'-P energy: -75.555
tors. eta vs tors. theta energy: -97.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1336.396182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.396182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.396182 (E_RNA)
where:
Base-Base interactions energy: -886.201
where: short stacking energy: -389.046
Base-Backbone interact. energy: 7.422
local terms energy: -457.617511
where:
bonds (distance) C4'-P energy: -93.018
bonds (distance) P-C4' energy: -105.412
flat angles C4'-P-C4' energy: -101.935
flat angles P-C4'-P energy: -67.174
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: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -903.968398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.968398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.968398 (E_RNA)
where:
Base-Base interactions energy: -518.118
where: short stacking energy: -240.063
Base-Backbone interact. energy: -0.752
local terms energy: -385.097831
where:
bonds (distance) C4'-P energy: -102.824
bonds (distance) P-C4' energy: -87.450
flat angles C4'-P-C4' energy: -107.147
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -29.343
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: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -611.535192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.535192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.535192 (E_RNA)
where:
Base-Base interactions energy: -314.739
where: short stacking energy: -187.497
Base-Backbone interact. energy: 4.949
local terms energy: -301.745462
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -106.590
flat angles C4'-P-C4' energy: -69.954
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2114.409842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.409842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.409842 (E_RNA)
where:
Base-Base interactions energy: -1476.258
where: short stacking energy: -612.497
Base-Backbone interact. energy: 2.795
local terms energy: -640.946823
where:
bonds (distance) C4'-P energy: -103.507
bonds (distance) P-C4' energy: -117.706
flat angles C4'-P-C4' energy: -140.411
flat angles P-C4'-P energy: -98.069
tors. eta vs tors. theta energy: -181.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2021.942123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.942123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.942123 (E_RNA)
where:
Base-Base interactions energy: -1383.121
where: short stacking energy: -575.783
Base-Backbone interact. energy: -1.650
local terms energy: -637.171026
where:
bonds (distance) C4'-P energy: -114.359
bonds (distance) P-C4' energy: -124.947
flat angles C4'-P-C4' energy: -132.562
flat angles P-C4'-P energy: -94.688
tors. eta vs tors. theta energy: -170.615
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: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1873.361295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.361295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.361295 (E_RNA)
where:
Base-Base interactions energy: -1295.271
where: short stacking energy: -542.446
Base-Backbone interact. energy: -2.217
local terms energy: -575.872774
where:
bonds (distance) C4'-P energy: -104.204
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -125.391
flat angles P-C4'-P energy: -83.510
tors. eta vs tors. theta energy: -143.170
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: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1840.681385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.681385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.681385 (E_RNA)
where:
Base-Base interactions energy: -1277.771
where: short stacking energy: -511.668
Base-Backbone interact. energy: 1.872
local terms energy: -564.782557
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -102.590
flat angles C4'-P-C4' energy: -120.358
flat angles P-C4'-P energy: -82.155
tors. eta vs tors. theta energy: -153.481
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1586.043106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.043106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.043106 (E_RNA)
where:
Base-Base interactions energy: -1047.739
where: short stacking energy: -477.968
Base-Backbone interact. energy: -1.968
local terms energy: -536.336459
where:
bonds (distance) C4'-P energy: -102.970
bonds (distance) P-C4' energy: -104.221
flat angles C4'-P-C4' energy: -115.659
flat angles P-C4'-P energy: -78.264
tors. eta vs tors. theta energy: -135.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1464.052060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.052060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.052060 (E_RNA)
where:
Base-Base interactions energy: -950.414
where: short stacking energy: -426.411
Base-Backbone interact. energy: 2.274
local terms energy: -515.911741
where:
bonds (distance) C4'-P energy: -116.079
bonds (distance) P-C4' energy: -97.481
flat angles C4'-P-C4' energy: -121.139
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -103.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1388.647786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.647786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.647786 (E_RNA)
where:
Base-Base interactions energy: -932.314
where: short stacking energy: -371.458
Base-Backbone interact. energy: 0.149
local terms energy: -456.482268
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -106.965
flat angles C4'-P-C4' energy: -112.562
flat angles P-C4'-P energy: -65.378
tors. eta vs tors. theta energy: -83.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1291.660474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.660474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.660474 (E_RNA)
where:
Base-Base interactions energy: -886.554
where: short stacking energy: -383.066
Base-Backbone interact. energy: -2.247
local terms energy: -402.859571
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -93.654
flat angles C4'-P-C4' energy: -97.674
flat angles P-C4'-P energy: -48.287
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: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -865.260907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.260907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.260907 (E_RNA)
where:
Base-Base interactions energy: -486.923
where: short stacking energy: -249.104
Base-Backbone interact. energy: 0.778
local terms energy: -379.115819
where:
bonds (distance) C4'-P energy: -97.953
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -87.307
flat angles P-C4'-P energy: -49.090
tors. eta vs tors. theta energy: -29.353
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: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -575.270797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.270797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.270797 (E_RNA)
where:
Base-Base interactions energy: -288.072
where: short stacking energy: -176.929
Base-Backbone interact. energy: -1.383
local terms energy: -285.815653
where:
bonds (distance) C4'-P energy: -100.723
bonds (distance) P-C4' energy: -96.869
flat angles C4'-P-C4' energy: -59.629
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -0.416
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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2121.169966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.169966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.169966 (E_RNA)
where:
Base-Base interactions energy: -1472.822
where: short stacking energy: -615.085
Base-Backbone interact. energy: -1.487
local terms energy: -646.861144
where:
bonds (distance) C4'-P energy: -123.100
bonds (distance) P-C4' energy: -124.395
flat angles C4'-P-C4' energy: -135.925
flat angles P-C4'-P energy: -85.868
tors. eta vs tors. theta energy: -177.572
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: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2009.071484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.071484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.071484 (E_RNA)
where:
Base-Base interactions energy: -1400.474
where: short stacking energy: -586.408
Base-Backbone interact. energy: -2.600
local terms energy: -605.996577
where:
bonds (distance) C4'-P energy: -114.532
bonds (distance) P-C4' energy: -117.069
flat angles C4'-P-C4' energy: -130.571
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -170.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1806.655893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.655893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.655893 (E_RNA)
where:
Base-Base interactions energy: -1255.732
where: short stacking energy: -510.081
Base-Backbone interact. energy: -1.945
local terms energy: -548.978366
where:
bonds (distance) C4'-P energy: -109.979
bonds (distance) P-C4' energy: -107.734
flat angles C4'-P-C4' energy: -119.556
flat angles P-C4'-P energy: -77.835
tors. eta vs tors. theta energy: -133.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1787.699407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.699407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.699407 (E_RNA)
where:
Base-Base interactions energy: -1243.644
where: short stacking energy: -507.919
Base-Backbone interact. energy: -1.075
local terms energy: -542.980994
where:
bonds (distance) C4'-P energy: -96.550
bonds (distance) P-C4' energy: -108.638
flat angles C4'-P-C4' energy: -120.512
flat angles P-C4'-P energy: -71.575
tors. eta vs tors. theta energy: -145.706
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: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1530.677303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.677303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.677303 (E_RNA)
where:
Base-Base interactions energy: -1027.257
where: short stacking energy: -457.247
Base-Backbone interact. energy: 0.151
local terms energy: -503.571316
where:
bonds (distance) C4'-P energy: -88.777
bonds (distance) P-C4' energy: -96.178
flat angles C4'-P-C4' energy: -104.251
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -124.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1449.350707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.350707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.350707 (E_RNA)
where:
Base-Base interactions energy: -939.708
where: short stacking energy: -398.194
Base-Backbone interact. energy: -1.554
local terms energy: -508.089052
where:
bonds (distance) C4'-P energy: -107.421
bonds (distance) P-C4' energy: -105.202
flat angles C4'-P-C4' energy: -113.078
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: -112.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1350.833623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.833623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.833623 (E_RNA)
where:
Base-Base interactions energy: -887.030
where: short stacking energy: -380.171
Base-Backbone interact. energy: -1.689
local terms energy: -462.114359
where:
bonds (distance) C4'-P energy: -86.376
bonds (distance) P-C4' energy: -87.285
flat angles C4'-P-C4' energy: -112.982
flat angles P-C4'-P energy: -87.662
tors. eta vs tors. theta energy: -87.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1323.657119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.657119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.657119 (E_RNA)
where:
Base-Base interactions energy: -875.925
where: short stacking energy: -391.483
Base-Backbone interact. energy: 3.970
local terms energy: -451.702184
where:
bonds (distance) C4'-P energy: -103.533
bonds (distance) P-C4' energy: -91.629
flat angles C4'-P-C4' energy: -104.632
flat angles P-C4'-P energy: -78.755
tors. eta vs tors. theta energy: -73.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -844.921691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.921691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.921691 (E_RNA)
where:
Base-Base interactions energy: -464.788
where: short stacking energy: -224.736
Base-Backbone interact. energy: -1.621
local terms energy: -378.512635
where:
bonds (distance) C4'-P energy: -102.420
bonds (distance) P-C4' energy: -93.568
flat angles C4'-P-C4' energy: -103.344
flat angles P-C4'-P energy: -54.639
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -603.359742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.359742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.359742 (E_RNA)
where:
Base-Base interactions energy: -305.695
where: short stacking energy: -172.772
Base-Backbone interact. energy: 0.408
local terms energy: -298.072798
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -98.305
flat angles C4'-P-C4' energy: -91.981
flat angles P-C4'-P energy: -48.689
tors. eta vs tors. theta energy: 11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2121.544588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.544588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.544588 (E_RNA)
where:
Base-Base interactions energy: -1498.207
where: short stacking energy: -594.064
Base-Backbone interact. energy: 0.448
local terms energy: -623.785420
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -115.317
flat angles P-C4'-P energy: -82.363
tors. eta vs tors. theta energy: -173.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1984.267886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.267886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.267886 (E_RNA)
where:
Base-Base interactions energy: -1382.398
where: short stacking energy: -566.062
Base-Backbone interact. energy: -1.989
local terms energy: -599.881083
where:
bonds (distance) C4'-P energy: -114.189
bonds (distance) P-C4' energy: -117.874
flat angles C4'-P-C4' energy: -130.861
flat angles P-C4'-P energy: -81.362
tors. eta vs tors. theta energy: -155.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1844.026957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.026957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.026957 (E_RNA)
where:
Base-Base interactions energy: -1271.362
where: short stacking energy: -543.129
Base-Backbone interact. energy: -1.682
local terms energy: -570.982101
where:
bonds (distance) C4'-P energy: -90.352
bonds (distance) P-C4' energy: -101.294
flat angles C4'-P-C4' energy: -131.279
flat angles P-C4'-P energy: -88.426
tors. eta vs tors. theta energy: -159.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1800.066778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.066778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.066778 (E_RNA)
where:
Base-Base interactions energy: -1232.606
where: short stacking energy: -500.700
Base-Backbone interact. energy: -3.276
local terms energy: -564.185321
where:
bonds (distance) C4'-P energy: -108.440
bonds (distance) P-C4' energy: -126.177
flat angles C4'-P-C4' energy: -100.012
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -139.991
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: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1562.396595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.396595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.396595 (E_RNA)
where:
Base-Base interactions energy: -1027.074
where: short stacking energy: -470.313
Base-Backbone interact. energy: -1.317
local terms energy: -534.005327
where:
bonds (distance) C4'-P energy: -102.489
bonds (distance) P-C4' energy: -104.639
flat angles C4'-P-C4' energy: -110.122
flat angles P-C4'-P energy: -76.604
tors. eta vs tors. theta energy: -140.151
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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1460.392856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.392856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.392856 (E_RNA)
where:
Base-Base interactions energy: -966.612
where: short stacking energy: -413.483
Base-Backbone interact. energy: 2.086
local terms energy: -495.866895
where:
bonds (distance) C4'-P energy: -107.446
bonds (distance) P-C4' energy: -111.351
flat angles C4'-P-C4' energy: -104.451
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -100.837
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: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1372.050071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.050071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.050071 (E_RNA)
where:
Base-Base interactions energy: -911.499
where: short stacking energy: -381.046
Base-Backbone interact. energy: -1.586
local terms energy: -458.964413
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -96.105
flat angles C4'-P-C4' energy: -102.227
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -89.715
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: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1297.122299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.122299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.122299 (E_RNA)
where:
Base-Base interactions energy: -856.968
where: short stacking energy: -352.624
Base-Backbone interact. energy: 0.306
local terms energy: -440.460848
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -100.967
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -87.815
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: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -873.458804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.458804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.458804 (E_RNA)
where:
Base-Base interactions energy: -485.690
where: short stacking energy: -240.347
Base-Backbone interact. energy: -2.515
local terms energy: -385.253941
where:
bonds (distance) C4'-P energy: -84.496
bonds (distance) P-C4' energy: -101.417
flat angles C4'-P-C4' energy: -103.198
flat angles P-C4'-P energy: -63.359
tors. eta vs tors. theta energy: -32.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -680.902822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.902822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.902822 (E_RNA)
where:
Base-Base interactions energy: -365.313
where: short stacking energy: -191.724
Base-Backbone interact. energy: 5.989
local terms energy: -321.579723
where:
bonds (distance) C4'-P energy: -102.215
bonds (distance) P-C4' energy: -107.266
flat angles C4'-P-C4' energy: -95.058
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: 7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2100.062535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.062535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.062535 (E_RNA)
where:
Base-Base interactions energy: -1479.518
where: short stacking energy: -596.839
Base-Backbone interact. energy: 1.661
local terms energy: -622.205494
where:
bonds (distance) C4'-P energy: -121.491
bonds (distance) P-C4' energy: -123.107
flat angles C4'-P-C4' energy: -131.379
flat angles P-C4'-P energy: -78.535
tors. eta vs tors. theta energy: -167.694
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: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1968.134686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.134686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.134686 (E_RNA)
where:
Base-Base interactions energy: -1333.843
where: short stacking energy: -547.156
Base-Backbone interact. energy: -3.755
local terms energy: -630.536196
where:
bonds (distance) C4'-P energy: -123.998
bonds (distance) P-C4' energy: -118.786
flat angles C4'-P-C4' energy: -123.049
flat angles P-C4'-P energy: -91.584
tors. eta vs tors. theta energy: -173.120
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: 378
Temperature: 1.000000
Total energy: -1833.721844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.721844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.721844 (E_RNA)
where:
Base-Base interactions energy: -1272.692
where: short stacking energy: -531.193
Base-Backbone interact. energy: -1.353
local terms energy: -559.676821
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -112.571
flat angles C4'-P-C4' energy: -129.513
flat angles P-C4'-P energy: -74.082
tors. eta vs tors. theta energy: -140.552
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: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1769.759055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.759055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.759055 (E_RNA)
where:
Base-Base interactions energy: -1243.895
where: short stacking energy: -492.083
Base-Backbone interact. energy: -2.840
local terms energy: -523.023553
where:
bonds (distance) C4'-P energy: -96.646
bonds (distance) P-C4' energy: -103.080
flat angles C4'-P-C4' energy: -120.639
flat angles P-C4'-P energy: -80.308
tors. eta vs tors. theta energy: -122.350
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1495.584653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.584653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.584653 (E_RNA)
where:
Base-Base interactions energy: -984.661
where: short stacking energy: -438.477
Base-Backbone interact. energy: 0.141
local terms energy: -511.064205
where:
bonds (distance) C4'-P energy: -108.534
bonds (distance) P-C4' energy: -101.039
flat angles C4'-P-C4' energy: -129.001
flat angles P-C4'-P energy: -56.815
tors. eta vs tors. theta energy: -115.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1421.762761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.762761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.762761 (E_RNA)
where:
Base-Base interactions energy: -914.936
where: short stacking energy: -392.103
Base-Backbone interact. energy: -1.796
local terms energy: -505.030808
where:
bonds (distance) C4'-P energy: -106.364
bonds (distance) P-C4' energy: -108.339
flat angles C4'-P-C4' energy: -120.747
flat angles P-C4'-P energy: -83.679
tors. eta vs tors. theta energy: -85.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1319.062438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.062438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.062438 (E_RNA)
where:
Base-Base interactions energy: -868.728
where: short stacking energy: -368.800
Base-Backbone interact. energy: 4.267
local terms energy: -454.601188
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -97.678
flat angles P-C4'-P energy: -75.738
tors. eta vs tors. theta energy: -74.708
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: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1356.903047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.903047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.903047 (E_RNA)
where:
Base-Base interactions energy: -906.177
where: short stacking energy: -412.796
Base-Backbone interact. energy: -0.084
local terms energy: -450.642419
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -106.647
flat angles C4'-P-C4' energy: -100.922
flat angles P-C4'-P energy: -53.243
tors. eta vs tors. theta energy: -96.755
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: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -867.464434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.464434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.464434 (E_RNA)
where:
Base-Base interactions energy: -536.872
where: short stacking energy: -259.641
Base-Backbone interact. energy: 3.964
local terms energy: -334.556508
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -100.589
flat angles C4'-P-C4' energy: -68.671
flat angles P-C4'-P energy: -49.849
tors. eta vs tors. theta energy: -22.353
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: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -676.516984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.516984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.516984 (E_RNA)
where:
Base-Base interactions energy: -358.226
where: short stacking energy: -210.646
Base-Backbone interact. energy: 3.124
local terms energy: -321.414931
where:
bonds (distance) C4'-P energy: -79.513
bonds (distance) P-C4' energy: -89.672
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2105.414842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.414842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.414842 (E_RNA)
where:
Base-Base interactions energy: -1484.314
where: short stacking energy: -567.678
Base-Backbone interact. energy: -0.235
local terms energy: -620.865061
where:
bonds (distance) C4'-P energy: -119.067
bonds (distance) P-C4' energy: -118.093
flat angles C4'-P-C4' energy: -123.728
flat angles P-C4'-P energy: -95.656
tors. eta vs tors. theta energy: -164.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1981.873333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.873333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.873333 (E_RNA)
where:
Base-Base interactions energy: -1360.847
where: short stacking energy: -565.686
Base-Backbone interact. energy: -5.970
local terms energy: -615.056514
where:
bonds (distance) C4'-P energy: -111.031
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -135.693
flat angles P-C4'-P energy: -87.727
tors. eta vs tors. theta energy: -164.687
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: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1814.267071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.267071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.267071 (E_RNA)
where:
Base-Base interactions energy: -1235.466
where: short stacking energy: -518.146
Base-Backbone interact. energy: -4.087
local terms energy: -574.714596
where:
bonds (distance) C4'-P energy: -97.860
bonds (distance) P-C4' energy: -107.952
flat angles C4'-P-C4' energy: -128.982
flat angles P-C4'-P energy: -101.586
tors. eta vs tors. theta energy: -138.334
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: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1730.906074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.906074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.906074 (E_RNA)
where:
Base-Base interactions energy: -1201.921
where: short stacking energy: -487.145
Base-Backbone interact. energy: -2.022
local terms energy: -526.962559
where:
bonds (distance) C4'-P energy: -96.729
bonds (distance) P-C4' energy: -110.004
flat angles C4'-P-C4' energy: -112.225
flat angles P-C4'-P energy: -77.820
tors. eta vs tors. theta energy: -130.184
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: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1591.621115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.621115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.621115 (E_RNA)
where:
Base-Base interactions energy: -1054.542
where: short stacking energy: -469.200
Base-Backbone interact. energy: 3.304
local terms energy: -540.382612
where:
bonds (distance) C4'-P energy: -112.679
bonds (distance) P-C4' energy: -119.008
flat angles C4'-P-C4' energy: -112.436
flat angles P-C4'-P energy: -73.657
tors. eta vs tors. theta energy: -122.603
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: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1458.493943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.493943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.493943 (E_RNA)
where:
Base-Base interactions energy: -963.693
where: short stacking energy: -457.426
Base-Backbone interact. energy: -2.214
local terms energy: -492.587000
where:
bonds (distance) C4'-P energy: -107.812
bonds (distance) P-C4' energy: -104.345
flat angles C4'-P-C4' energy: -105.918
flat angles P-C4'-P energy: -55.443
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: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1385.856580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.856580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.856580 (E_RNA)
where:
Base-Base interactions energy: -929.113
where: short stacking energy: -401.034
Base-Backbone interact. energy: -0.630
local terms energy: -456.113518
where:
bonds (distance) C4'-P energy: -101.234
bonds (distance) P-C4' energy: -104.362
flat angles C4'-P-C4' energy: -104.951
flat angles P-C4'-P energy: -48.819
tors. eta vs tors. theta energy: -96.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1337.197517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.197517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.197517 (E_RNA)
where:
Base-Base interactions energy: -876.491
where: short stacking energy: -415.785
Base-Backbone interact. energy: -0.904
local terms energy: -459.802266
where:
bonds (distance) C4'-P energy: -93.335
bonds (distance) P-C4' energy: -105.625
flat angles C4'-P-C4' energy: -88.375
flat angles P-C4'-P energy: -78.905
tors. eta vs tors. theta energy: -93.562
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: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -853.646381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.646381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.646381 (E_RNA)
where:
Base-Base interactions energy: -509.862
where: short stacking energy: -239.139
Base-Backbone interact. energy: -0.615
local terms energy: -343.169374
where:
bonds (distance) C4'-P energy: -96.208
bonds (distance) P-C4' energy: -98.208
flat angles C4'-P-C4' energy: -90.619
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -28.255
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: 379
Temperature: 1.350000
Total energy: -651.016255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.016255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.016255 (E_RNA)
where:
Base-Base interactions energy: -346.498
where: short stacking energy: -176.126
Base-Backbone interact. energy: 0.854
local terms energy: -305.372383
where:
bonds (distance) C4'-P energy: -94.242
bonds (distance) P-C4' energy: -98.993
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: 7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2098.622795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.622795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.622795 (E_RNA)
where:
Base-Base interactions energy: -1466.904
where: short stacking energy: -602.504
Base-Backbone interact. energy: -3.642
local terms energy: -628.076947
where:
bonds (distance) C4'-P energy: -118.237
bonds (distance) P-C4' energy: -124.913
flat angles C4'-P-C4' energy: -136.630
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -163.117
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: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1965.589168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.589168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.589168 (E_RNA)
where:
Base-Base interactions energy: -1333.426
where: short stacking energy: -559.103
Base-Backbone interact. energy: -3.619
local terms energy: -628.543699
where:
bonds (distance) C4'-P energy: -120.071
bonds (distance) P-C4' energy: -117.921
flat angles C4'-P-C4' energy: -134.641
flat angles P-C4'-P energy: -85.551
tors. eta vs tors. theta energy: -170.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1810.448247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.448247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.448247 (E_RNA)
where:
Base-Base interactions energy: -1258.706
where: short stacking energy: -507.260
Base-Backbone interact. energy: -3.350
local terms energy: -548.392695
where:
bonds (distance) C4'-P energy: -99.829
bonds (distance) P-C4' energy: -115.456
flat angles C4'-P-C4' energy: -113.547
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -137.665
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: 380
Temperature: 1.050000
Total energy: -1757.974304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.974304 (E_RNA)
where:
Base-Base interactions energy: -1191.064
where: short stacking energy: -493.097
Base-Backbone interact. energy: -3.210
local terms energy: -563.700474
where:
bonds (distance) C4'-P energy: -108.017
bonds (distance) P-C4' energy: -114.648
flat angles C4'-P-C4' energy: -127.824
flat angles P-C4'-P energy: -77.354
tors. eta vs tors. theta energy: -135.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1600.988201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.988201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.988201 (E_RNA)
where:
Base-Base interactions energy: -1049.200
where: short stacking energy: -477.455
Base-Backbone interact. energy: -0.611
local terms energy: -551.177318
where:
bonds (distance) C4'-P energy: -101.032
bonds (distance) P-C4' energy: -103.381
flat angles C4'-P-C4' energy: -130.449
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -133.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1477.071704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.071704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.071704 (E_RNA)
where:
Base-Base interactions energy: -971.201
where: short stacking energy: -427.860
Base-Backbone interact. energy: 1.112
local terms energy: -506.982529
where:
bonds (distance) C4'-P energy: -99.752
bonds (distance) P-C4' energy: -110.791
flat angles C4'-P-C4' energy: -111.142
flat angles P-C4'-P energy: -72.425
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: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1381.194241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.194241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.194241 (E_RNA)
where:
Base-Base interactions energy: -900.365
where: short stacking energy: -385.560
Base-Backbone interact. energy: 4.695
local terms energy: -485.524791
where:
bonds (distance) C4'-P energy: -105.612
bonds (distance) P-C4' energy: -119.297
flat angles C4'-P-C4' energy: -103.905
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -91.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1342.040935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.040935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.040935 (E_RNA)
where:
Base-Base interactions energy: -911.591
where: short stacking energy: -409.357
Base-Backbone interact. energy: 5.155
local terms energy: -435.604802
where:
bonds (distance) C4'-P energy: -75.373
bonds (distance) P-C4' energy: -75.491
flat angles C4'-P-C4' energy: -114.745
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -94.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -843.408208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.408208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.408208 (E_RNA)
where:
Base-Base interactions energy: -491.191
where: short stacking energy: -227.726
Base-Backbone interact. energy: -3.347
local terms energy: -348.870830
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -93.246
flat angles C4'-P-C4' energy: -85.871
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -658.058807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.058807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.058807 (E_RNA)
where:
Base-Base interactions energy: -320.071
where: short stacking energy: -164.160
Base-Backbone interact. energy: -4.147
local terms energy: -333.840707
where:
bonds (distance) C4'-P energy: -95.484
bonds (distance) P-C4' energy: -90.075
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -63.066
tors. eta vs tors. theta energy: -0.858
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2063.311696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.311696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.311696 (E_RNA)
where:
Base-Base interactions energy: -1444.816
where: short stacking energy: -563.897
Base-Backbone interact. energy: -1.882
local terms energy: -616.613873
where:
bonds (distance) C4'-P energy: -112.603
bonds (distance) P-C4' energy: -127.878
flat angles C4'-P-C4' energy: -129.092
flat angles P-C4'-P energy: -90.361
tors. eta vs tors. theta energy: -156.680
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: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1992.978400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.978400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.978400 (E_RNA)
where:
Base-Base interactions energy: -1400.268
where: short stacking energy: -585.064
Base-Backbone interact. energy: 3.448
local terms energy: -596.158655
where:
bonds (distance) C4'-P energy: -109.123
bonds (distance) P-C4' energy: -91.331
flat angles C4'-P-C4' energy: -137.011
flat angles P-C4'-P energy: -80.093
tors. eta vs tors. theta energy: -178.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1866.958922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.958922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.958922 (E_RNA)
where:
Base-Base interactions energy: -1287.869
where: short stacking energy: -526.335
Base-Backbone interact. energy: 1.991
local terms energy: -581.081300
where:
bonds (distance) C4'-P energy: -114.813
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -117.269
flat angles P-C4'-P energy: -90.743
tors. eta vs tors. theta energy: -142.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1799.993822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.993822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.993822 (E_RNA)
where:
Base-Base interactions energy: -1250.796
where: short stacking energy: -504.566
Base-Backbone interact. energy: 1.500
local terms energy: -550.697796
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -99.808
flat angles C4'-P-C4' energy: -126.248
flat angles P-C4'-P energy: -82.118
tors. eta vs tors. theta energy: -138.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1588.710981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.710981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.710981 (E_RNA)
where:
Base-Base interactions energy: -1038.971
where: short stacking energy: -452.085
Base-Backbone interact. energy: -2.529
local terms energy: -547.210963
where:
bonds (distance) C4'-P energy: -108.819
bonds (distance) P-C4' energy: -103.103
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -81.463
tors. eta vs tors. theta energy: -128.166
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1547.724047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.724047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.724047 (E_RNA)
where:
Base-Base interactions energy: -1024.160
where: short stacking energy: -438.463
Base-Backbone interact. energy: -1.334
local terms energy: -522.230139
where:
bonds (distance) C4'-P energy: -95.473
bonds (distance) P-C4' energy: -113.724
flat angles C4'-P-C4' energy: -117.700
flat angles P-C4'-P energy: -78.043
tors. eta vs tors. theta energy: -117.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1370.720605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.720605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.720605 (E_RNA)
where:
Base-Base interactions energy: -920.379
where: short stacking energy: -418.757
Base-Backbone interact. energy: -2.423
local terms energy: -447.918781
where:
bonds (distance) C4'-P energy: -79.737
bonds (distance) P-C4' energy: -99.040
flat angles C4'-P-C4' energy: -100.929
flat angles P-C4'-P energy: -65.570
tors. eta vs tors. theta energy: -102.643
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1331.476223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.476223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.476223 (E_RNA)
where:
Base-Base interactions energy: -895.289
where: short stacking energy: -356.203
Base-Backbone interact. energy: 1.535
local terms energy: -437.722177
where:
bonds (distance) C4'-P energy: -90.483
bonds (distance) P-C4' energy: -102.328
flat angles C4'-P-C4' energy: -106.958
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -96.738
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: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -928.604990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.604990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.604990 (E_RNA)
where:
Base-Base interactions energy: -573.306
where: short stacking energy: -282.840
Base-Backbone interact. energy: 6.517
local terms energy: -361.816365
where:
bonds (distance) C4'-P energy: -82.250
bonds (distance) P-C4' energy: -104.756
flat angles C4'-P-C4' energy: -75.781
flat angles P-C4'-P energy: -68.944
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -665.792230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.792230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.792230 (E_RNA)
where:
Base-Base interactions energy: -366.834
where: short stacking energy: -194.395
Base-Backbone interact. energy: -0.968
local terms energy: -297.990276
where:
bonds (distance) C4'-P energy: -87.580
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -89.824
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: 9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2076.958597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.958597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.958597 (E_RNA)
where:
Base-Base interactions energy: -1453.520
where: short stacking energy: -591.777
Base-Backbone interact. energy: 0.496
local terms energy: -623.934802
where:
bonds (distance) C4'-P energy: -115.877
bonds (distance) P-C4' energy: -118.611
flat angles C4'-P-C4' energy: -132.003
flat angles P-C4'-P energy: -93.572
tors. eta vs tors. theta energy: -163.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2011.532204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.532204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.532204 (E_RNA)
where:
Base-Base interactions energy: -1401.579
where: short stacking energy: -591.424
Base-Backbone interact. energy: -0.204
local terms energy: -609.749111
where:
bonds (distance) C4'-P energy: -112.417
bonds (distance) P-C4' energy: -111.001
flat angles C4'-P-C4' energy: -124.310
flat angles P-C4'-P energy: -81.832
tors. eta vs tors. theta energy: -180.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1841.196529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.196529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.196529 (E_RNA)
where:
Base-Base interactions energy: -1290.097
where: short stacking energy: -513.670
Base-Backbone interact. energy: 0.693
local terms energy: -551.793144
where:
bonds (distance) C4'-P energy: -107.587
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -112.131
flat angles P-C4'-P energy: -85.165
tors. eta vs tors. theta energy: -136.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1793.062885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.062885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.062885 (E_RNA)
where:
Base-Base interactions energy: -1222.130
where: short stacking energy: -505.502
Base-Backbone interact. energy: -1.147
local terms energy: -569.786434
where:
bonds (distance) C4'-P energy: -118.003
bonds (distance) P-C4' energy: -105.524
flat angles C4'-P-C4' energy: -124.175
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -143.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1613.046687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.046687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.046687 (E_RNA)
where:
Base-Base interactions energy: -1095.787
where: short stacking energy: -498.289
Base-Backbone interact. energy: -1.735
local terms energy: -515.524924
where:
bonds (distance) C4'-P energy: -102.745
bonds (distance) P-C4' energy: -104.503
flat angles C4'-P-C4' energy: -115.238
flat angles P-C4'-P energy: -72.483
tors. eta vs tors. theta energy: -120.556
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1466.322599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.322599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.322599 (E_RNA)
where:
Base-Base interactions energy: -974.040
where: short stacking energy: -438.425
Base-Backbone interact. energy: -1.755
local terms energy: -490.528013
where:
bonds (distance) C4'-P energy: -98.844
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -114.759
flat angles P-C4'-P energy: -68.069
tors. eta vs tors. theta energy: -114.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1372.839274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.839274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.839274 (E_RNA)
where:
Base-Base interactions energy: -923.321
where: short stacking energy: -416.747
Base-Backbone interact. energy: 1.384
local terms energy: -450.901570
where:
bonds (distance) C4'-P energy: -112.787
bonds (distance) P-C4' energy: -97.322
flat angles C4'-P-C4' energy: -100.990
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -88.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1253.556314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.556314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.556314 (E_RNA)
where:
Base-Base interactions energy: -770.570
where: short stacking energy: -329.006
Base-Backbone interact. energy: -4.035
local terms energy: -478.951149
where:
bonds (distance) C4'-P energy: -112.353
bonds (distance) P-C4' energy: -112.929
flat angles C4'-P-C4' energy: -101.246
flat angles P-C4'-P energy: -77.344
tors. eta vs tors. theta energy: -75.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -909.382577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.382577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.382577 (E_RNA)
where:
Base-Base interactions energy: -546.712
where: short stacking energy: -273.436
Base-Backbone interact. energy: -1.731
local terms energy: -360.939488
where:
bonds (distance) C4'-P energy: -85.537
bonds (distance) P-C4' energy: -110.543
flat angles C4'-P-C4' energy: -82.490
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -37.538
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: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -662.157077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.157077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.157077 (E_RNA)
where:
Base-Base interactions energy: -358.282
where: short stacking energy: -194.698
Base-Backbone interact. energy: 0.593
local terms energy: -304.468040
where:
bonds (distance) C4'-P energy: -90.771
bonds (distance) P-C4' energy: -91.932
flat angles C4'-P-C4' energy: -78.108
flat angles P-C4'-P energy: -45.910
tors. eta vs tors. theta energy: 2.254
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: 383
Temperature: 0.900000
Total energy: -2044.633711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.633711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.633711 (E_RNA)
where:
Base-Base interactions energy: -1428.606
where: short stacking energy: -578.554
Base-Backbone interact. energy: -1.365
local terms energy: -614.663160
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -114.260
flat angles C4'-P-C4' energy: -131.227
flat angles P-C4'-P energy: -87.362
tors. eta vs tors. theta energy: -164.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1989.326021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.326021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.326021 (E_RNA)
where:
Base-Base interactions energy: -1395.715
where: short stacking energy: -559.634
Base-Backbone interact. energy: 5.434
local terms energy: -599.044680
where:
bonds (distance) C4'-P energy: -100.928
bonds (distance) P-C4' energy: -122.078
flat angles C4'-P-C4' energy: -128.440
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -168.282
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: 383
Temperature: 1.000000
Total energy: -1886.842604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.842604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.842604 (E_RNA)
where:
Base-Base interactions energy: -1320.530
where: short stacking energy: -537.043
Base-Backbone interact. energy: -0.893
local terms energy: -565.420125
where:
bonds (distance) C4'-P energy: -102.488
bonds (distance) P-C4' energy: -108.219
flat angles C4'-P-C4' energy: -129.626
flat angles P-C4'-P energy: -79.084
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: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1813.192270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.192270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.192270 (E_RNA)
where:
Base-Base interactions energy: -1247.625
where: short stacking energy: -525.501
Base-Backbone interact. energy: -0.893
local terms energy: -564.674815
where:
bonds (distance) C4'-P energy: -98.064
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -133.043
flat angles P-C4'-P energy: -73.580
tors. eta vs tors. theta energy: -152.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1606.711334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.711334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.711334 (E_RNA)
where:
Base-Base interactions energy: -1080.134
where: short stacking energy: -490.356
Base-Backbone interact. energy: -1.857
local terms energy: -524.720171
where:
bonds (distance) C4'-P energy: -105.064
bonds (distance) P-C4' energy: -98.028
flat angles C4'-P-C4' energy: -122.049
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -119.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1502.375897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.375897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.375897 (E_RNA)
where:
Base-Base interactions energy: -1034.758
where: short stacking energy: -451.811
Base-Backbone interact. energy: -3.315
local terms energy: -464.302680
where:
bonds (distance) C4'-P energy: -85.171
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -103.185
flat angles P-C4'-P energy: -68.082
tors. eta vs tors. theta energy: -119.433
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: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1358.023023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.023023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.023023 (E_RNA)
where:
Base-Base interactions energy: -914.953
where: short stacking energy: -391.230
Base-Backbone interact. energy: -2.415
local terms energy: -440.655006
where:
bonds (distance) C4'-P energy: -92.896
bonds (distance) P-C4' energy: -112.705
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -65.009
tors. eta vs tors. theta energy: -95.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1339.351459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.351459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.351459 (E_RNA)
where:
Base-Base interactions energy: -871.070
where: short stacking energy: -381.353
Base-Backbone interact. energy: 0.508
local terms energy: -468.789423
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -110.956
flat angles C4'-P-C4' energy: -109.125
flat angles P-C4'-P energy: -58.875
tors. eta vs tors. theta energy: -90.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -900.683464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.683464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.683464 (E_RNA)
where:
Base-Base interactions energy: -555.234
where: short stacking energy: -250.703
Base-Backbone interact. energy: -0.977
local terms energy: -344.472604
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -103.738
flat angles C4'-P-C4' energy: -70.279
flat angles P-C4'-P energy: -54.785
tors. eta vs tors. theta energy: -22.676
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: 383
Temperature: 1.350000
Total energy: -658.341203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.341203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.341203 (E_RNA)
where:
Base-Base interactions energy: -341.571
where: short stacking energy: -179.237
Base-Backbone interact. energy: 1.843
local terms energy: -318.613071
where:
bonds (distance) C4'-P energy: -100.020
bonds (distance) P-C4' energy: -98.954
flat angles C4'-P-C4' energy: -86.276
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -7.801
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: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2083.792992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.792992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.792992 (E_RNA)
where:
Base-Base interactions energy: -1480.964
where: short stacking energy: -581.826
Base-Backbone interact. energy: -0.913
local terms energy: -601.915653
where:
bonds (distance) C4'-P energy: -111.536
bonds (distance) P-C4' energy: -113.790
flat angles C4'-P-C4' energy: -139.457
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -152.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2005.083805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.083805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.083805 (E_RNA)
where:
Base-Base interactions energy: -1388.719
where: short stacking energy: -574.358
Base-Backbone interact. energy: -3.284
local terms energy: -613.079952
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -118.884
flat angles C4'-P-C4' energy: -121.613
flat angles P-C4'-P energy: -85.229
tors. eta vs tors. theta energy: -173.197
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1845.556661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.556661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.556661 (E_RNA)
where:
Base-Base interactions energy: -1285.646
where: short stacking energy: -523.640
Base-Backbone interact. energy: -2.644
local terms energy: -557.266428
where:
bonds (distance) C4'-P energy: -111.722
bonds (distance) P-C4' energy: -118.108
flat angles C4'-P-C4' energy: -114.318
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -135.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1757.940264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.940264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.940264 (E_RNA)
where:
Base-Base interactions energy: -1214.818
where: short stacking energy: -518.663
Base-Backbone interact. energy: -3.572
local terms energy: -539.550676
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -100.877
flat angles C4'-P-C4' energy: -124.500
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: -145.482
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: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1598.210047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.210047 (E_RNA)
where:
Base-Base interactions energy: -1057.075
where: short stacking energy: -495.832
Base-Backbone interact. energy: 2.565
local terms energy: -543.700459
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -114.453
flat angles C4'-P-C4' energy: -113.827
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -140.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1480.429233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.429233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.429233 (E_RNA)
where:
Base-Base interactions energy: -983.702
where: short stacking energy: -429.901
Base-Backbone interact. energy: -2.391
local terms energy: -494.336356
where:
bonds (distance) C4'-P energy: -103.614
bonds (distance) P-C4' energy: -89.598
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -77.711
tors. eta vs tors. theta energy: -108.891
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1359.039127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.039127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.039127 (E_RNA)
where:
Base-Base interactions energy: -892.405
where: short stacking energy: -385.483
Base-Backbone interact. energy: -2.033
local terms energy: -464.601538
where:
bonds (distance) C4'-P energy: -108.896
bonds (distance) P-C4' energy: -116.331
flat angles C4'-P-C4' energy: -93.679
flat angles P-C4'-P energy: -57.409
tors. eta vs tors. theta energy: -88.287
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1289.768693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.768693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.768693 (E_RNA)
where:
Base-Base interactions energy: -883.133
where: short stacking energy: -399.214
Base-Backbone interact. energy: -1.828
local terms energy: -404.808127
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -64.234
tors. eta vs tors. theta energy: -87.725
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: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -902.111477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.111477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.111477 (E_RNA)
where:
Base-Base interactions energy: -545.794
where: short stacking energy: -259.404
Base-Backbone interact. energy: 3.976
local terms energy: -360.293460
where:
bonds (distance) C4'-P energy: -101.843
bonds (distance) P-C4' energy: -83.519
flat angles C4'-P-C4' energy: -97.142
flat angles P-C4'-P energy: -55.141
tors. eta vs tors. theta energy: -22.649
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: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -652.876921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.876921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.876921 (E_RNA)
where:
Base-Base interactions energy: -321.529
where: short stacking energy: -172.284
Base-Backbone interact. energy: 1.512
local terms energy: -332.859869
where:
bonds (distance) C4'-P energy: -92.432
bonds (distance) P-C4' energy: -102.738
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -58.149
tors. eta vs tors. theta energy: 2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2069.514212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.514212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.514212 (E_RNA)
where:
Base-Base interactions energy: -1454.651
where: short stacking energy: -588.911
Base-Backbone interact. energy: -4.419
local terms energy: -610.444755
where:
bonds (distance) C4'-P energy: -105.784
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -132.916
flat angles P-C4'-P energy: -89.879
tors. eta vs tors. theta energy: -166.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1993.551368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.551368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.551368 (E_RNA)
where:
Base-Base interactions energy: -1390.201
where: short stacking energy: -571.027
Base-Backbone interact. energy: -2.343
local terms energy: -601.006983
where:
bonds (distance) C4'-P energy: -107.051
bonds (distance) P-C4' energy: -113.938
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -83.794
tors. eta vs tors. theta energy: -170.905
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1869.939510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.939510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.939510 (E_RNA)
where:
Base-Base interactions energy: -1292.638
where: short stacking energy: -523.039
Base-Backbone interact. energy: -5.196
local terms energy: -572.104997
where:
bonds (distance) C4'-P energy: -106.045
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -131.876
flat angles P-C4'-P energy: -79.382
tors. eta vs tors. theta energy: -145.591
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: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1791.961116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.961116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.961116 (E_RNA)
where:
Base-Base interactions energy: -1232.217
where: short stacking energy: -521.453
Base-Backbone interact. energy: -4.546
local terms energy: -555.198002
where:
bonds (distance) C4'-P energy: -107.346
bonds (distance) P-C4' energy: -119.203
flat angles C4'-P-C4' energy: -119.370
flat angles P-C4'-P energy: -72.951
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: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1611.657400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.657400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.657400 (E_RNA)
where:
Base-Base interactions energy: -1062.777
where: short stacking energy: -448.716
Base-Backbone interact. energy: 0.901
local terms energy: -549.781297
where:
bonds (distance) C4'-P energy: -117.412
bonds (distance) P-C4' energy: -104.016
flat angles C4'-P-C4' energy: -119.058
flat angles P-C4'-P energy: -81.552
tors. eta vs tors. theta energy: -127.744
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1506.254627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.254627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.254627 (E_RNA)
where:
Base-Base interactions energy: -1010.202
where: short stacking energy: -439.321
Base-Backbone interact. energy: -1.934
local terms energy: -494.119295
where:
bonds (distance) C4'-P energy: -97.087
bonds (distance) P-C4' energy: -102.869
flat angles C4'-P-C4' energy: -101.702
flat angles P-C4'-P energy: -77.386
tors. eta vs tors. theta energy: -115.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1385.902453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.902453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.902453 (E_RNA)
where:
Base-Base interactions energy: -950.113
where: short stacking energy: -394.356
Base-Backbone interact. energy: -0.703
local terms energy: -435.086099
where:
bonds (distance) C4'-P energy: -91.624
bonds (distance) P-C4' energy: -101.198
flat angles C4'-P-C4' energy: -89.836
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -85.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1322.426416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.426416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.426416 (E_RNA)
where:
Base-Base interactions energy: -870.491
where: short stacking energy: -399.882
Base-Backbone interact. energy: -3.938
local terms energy: -447.996993
where:
bonds (distance) C4'-P energy: -93.633
bonds (distance) P-C4' energy: -84.065
flat angles C4'-P-C4' energy: -111.872
flat angles P-C4'-P energy: -66.346
tors. eta vs tors. theta energy: -92.081
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: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -963.617187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.617187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.617187 (E_RNA)
where:
Base-Base interactions energy: -563.427
where: short stacking energy: -268.603
Base-Backbone interact. energy: 0.332
local terms energy: -400.522050
where:
bonds (distance) C4'-P energy: -106.910
bonds (distance) P-C4' energy: -99.909
flat angles C4'-P-C4' energy: -93.959
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: -48.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -664.023652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.023652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.023652 (E_RNA)
where:
Base-Base interactions energy: -356.117
where: short stacking energy: -183.596
Base-Backbone interact. energy: -4.502
local terms energy: -303.404731
where:
bonds (distance) C4'-P energy: -80.500
bonds (distance) P-C4' energy: -101.454
flat angles C4'-P-C4' energy: -78.655
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2068.962079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.962079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.962079 (E_RNA)
where:
Base-Base interactions energy: -1447.864
where: short stacking energy: -585.696
Base-Backbone interact. energy: -2.361
local terms energy: -618.737728
where:
bonds (distance) C4'-P energy: -103.870
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -97.848
tors. eta vs tors. theta energy: -169.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1999.173705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.173705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.173705 (E_RNA)
where:
Base-Base interactions energy: -1404.488
where: short stacking energy: -569.848
Base-Backbone interact. energy: -0.797
local terms energy: -593.888697
where:
bonds (distance) C4'-P energy: -99.835
bonds (distance) P-C4' energy: -109.680
flat angles C4'-P-C4' energy: -131.020
flat angles P-C4'-P energy: -83.115
tors. eta vs tors. theta energy: -170.238
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: 386
Temperature: 1.000000
Total energy: -1806.338936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.338936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.338936 (E_RNA)
where:
Base-Base interactions energy: -1249.345
where: short stacking energy: -505.847
Base-Backbone interact. energy: -2.062
local terms energy: -554.931752
where:
bonds (distance) C4'-P energy: -106.230
bonds (distance) P-C4' energy: -115.217
flat angles C4'-P-C4' energy: -129.974
flat angles P-C4'-P energy: -63.627
tors. eta vs tors. theta energy: -139.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1772.295618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.295618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.295618 (E_RNA)
where:
Base-Base interactions energy: -1224.850
where: short stacking energy: -498.627
Base-Backbone interact. energy: -4.184
local terms energy: -543.261078
where:
bonds (distance) C4'-P energy: -119.036
bonds (distance) P-C4' energy: -105.952
flat angles C4'-P-C4' energy: -116.265
flat angles P-C4'-P energy: -78.159
tors. eta vs tors. theta energy: -123.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1650.558476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.558476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.558476 (E_RNA)
where:
Base-Base interactions energy: -1114.593
where: short stacking energy: -488.208
Base-Backbone interact. energy: -3.214
local terms energy: -532.751562
where:
bonds (distance) C4'-P energy: -102.915
bonds (distance) P-C4' energy: -113.530
flat angles C4'-P-C4' energy: -115.447
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -130.909
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1484.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.984585 (E_RNA)
where:
Base-Base interactions energy: -997.077
where: short stacking energy: -421.172
Base-Backbone interact. energy: -1.619
local terms energy: -486.287979
where:
bonds (distance) C4'-P energy: -79.528
bonds (distance) P-C4' energy: -117.276
flat angles C4'-P-C4' energy: -121.379
flat angles P-C4'-P energy: -62.575
tors. eta vs tors. theta energy: -105.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1344.200213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.200213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.200213 (E_RNA)
where:
Base-Base interactions energy: -880.778
where: short stacking energy: -396.458
Base-Backbone interact. energy: 0.403
local terms energy: -463.825685
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -93.558
flat angles C4'-P-C4' energy: -98.795
flat angles P-C4'-P energy: -68.403
tors. eta vs tors. theta energy: -101.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1246.954315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.954315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.954315 (E_RNA)
where:
Base-Base interactions energy: -820.001
where: short stacking energy: -345.266
Base-Backbone interact. energy: -2.414
local terms energy: -424.539725
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -101.406
flat angles C4'-P-C4' energy: -84.041
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -78.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -945.122832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.122832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.122832 (E_RNA)
where:
Base-Base interactions energy: -562.924
where: short stacking energy: -254.493
Base-Backbone interact. energy: -1.812
local terms energy: -380.386159
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -96.425
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -49.484
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -619.011578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.011578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.011578 (E_RNA)
where:
Base-Base interactions energy: -313.377
where: short stacking energy: -195.038
Base-Backbone interact. energy: 1.796
local terms energy: -307.430242
where:
bonds (distance) C4'-P energy: -78.479
bonds (distance) P-C4' energy: -94.922
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2055.776607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.776607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.776607 (E_RNA)
where:
Base-Base interactions energy: -1433.387
where: short stacking energy: -569.661
Base-Backbone interact. energy: 1.833
local terms energy: -624.222360
where:
bonds (distance) C4'-P energy: -112.550
bonds (distance) P-C4' energy: -130.566
flat angles C4'-P-C4' energy: -129.800
flat angles P-C4'-P energy: -87.349
tors. eta vs tors. theta energy: -163.958
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2022.747773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.747773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.747773 (E_RNA)
where:
Base-Base interactions energy: -1375.495
where: short stacking energy: -570.791
Base-Backbone interact. energy: -2.254
local terms energy: -644.999245
where:
bonds (distance) C4'-P energy: -124.982
bonds (distance) P-C4' energy: -122.350
flat angles C4'-P-C4' energy: -140.009
flat angles P-C4'-P energy: -92.921
tors. eta vs tors. theta energy: -164.738
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1842.831877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.831877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.831877 (E_RNA)
where:
Base-Base interactions energy: -1260.549
where: short stacking energy: -501.939
Base-Backbone interact. energy: -2.892
local terms energy: -579.390083
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -121.419
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -83.225
tors. eta vs tors. theta energy: -133.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1722.155517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.155517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.155517 (E_RNA)
where:
Base-Base interactions energy: -1171.806
where: short stacking energy: -477.731
Base-Backbone interact. energy: -2.616
local terms energy: -547.733064
where:
bonds (distance) C4'-P energy: -99.255
bonds (distance) P-C4' energy: -106.752
flat angles C4'-P-C4' energy: -134.714
flat angles P-C4'-P energy: -77.041
tors. eta vs tors. theta energy: -129.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1650.562956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.562956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.562956 (E_RNA)
where:
Base-Base interactions energy: -1107.009
where: short stacking energy: -490.775
Base-Backbone interact. energy: 0.519
local terms energy: -544.072283
where:
bonds (distance) C4'-P energy: -110.273
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -132.288
flat angles P-C4'-P energy: -60.366
tors. eta vs tors. theta energy: -130.040
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: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1429.437056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.437056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.437056 (E_RNA)
where:
Base-Base interactions energy: -930.266
where: short stacking energy: -434.242
Base-Backbone interact. energy: 0.661
local terms energy: -499.831820
where:
bonds (distance) C4'-P energy: -90.368
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -113.922
flat angles P-C4'-P energy: -73.562
tors. eta vs tors. theta energy: -109.055
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1315.120305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.120305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.120305 (E_RNA)
where:
Base-Base interactions energy: -884.265
where: short stacking energy: -393.766
Base-Backbone interact. energy: -2.863
local terms energy: -427.992203
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -105.854
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: -95.916
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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1278.296732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.296732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.296732 (E_RNA)
where:
Base-Base interactions energy: -855.875
where: short stacking energy: -370.829
Base-Backbone interact. energy: 0.815
local terms energy: -423.236714
where:
bonds (distance) C4'-P energy: -91.235
bonds (distance) P-C4' energy: -90.405
flat angles C4'-P-C4' energy: -116.492
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -70.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -975.197039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.197039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.197039 (E_RNA)
where:
Base-Base interactions energy: -596.080
where: short stacking energy: -278.169
Base-Backbone interact. energy: 1.018
local terms energy: -380.134896
where:
bonds (distance) C4'-P energy: -93.150
bonds (distance) P-C4' energy: -105.469
flat angles C4'-P-C4' energy: -87.258
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -34.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -647.938160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.938160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.938160 (E_RNA)
where:
Base-Base interactions energy: -348.143
where: short stacking energy: -197.144
Base-Backbone interact. energy: -0.541
local terms energy: -299.254350
where:
bonds (distance) C4'-P energy: -82.683
bonds (distance) P-C4' energy: -101.017
flat angles C4'-P-C4' energy: -71.865
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: 3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2055.082918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.082918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.082918 (E_RNA)
where:
Base-Base interactions energy: -1437.515
where: short stacking energy: -566.638
Base-Backbone interact. energy: -3.430
local terms energy: -614.138028
where:
bonds (distance) C4'-P energy: -111.704
bonds (distance) P-C4' energy: -112.991
flat angles C4'-P-C4' energy: -141.427
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -161.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1982.787886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.787886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.787886 (E_RNA)
where:
Base-Base interactions energy: -1380.350
where: short stacking energy: -578.873
Base-Backbone interact. energy: -5.531
local terms energy: -596.906906
where:
bonds (distance) C4'-P energy: -120.252
bonds (distance) P-C4' energy: -110.453
flat angles C4'-P-C4' energy: -128.630
flat angles P-C4'-P energy: -76.295
tors. eta vs tors. theta energy: -161.278
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1847.420795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.420795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.420795 (E_RNA)
where:
Base-Base interactions energy: -1263.558
where: short stacking energy: -515.848
Base-Backbone interact. energy: -2.614
local terms energy: -581.248593
where:
bonds (distance) C4'-P energy: -116.948
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -123.055
flat angles P-C4'-P energy: -77.008
tors. eta vs tors. theta energy: -153.538
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: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1739.539541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.539541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.539541 (E_RNA)
where:
Base-Base interactions energy: -1192.452
where: short stacking energy: -471.383
Base-Backbone interact. energy: 2.852
local terms energy: -549.939242
where:
bonds (distance) C4'-P energy: -117.376
bonds (distance) P-C4' energy: -120.173
flat angles C4'-P-C4' energy: -111.892
flat angles P-C4'-P energy: -78.520
tors. eta vs tors. theta energy: -121.979
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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1662.429901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.429901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.429901 (E_RNA)
where:
Base-Base interactions energy: -1111.582
where: short stacking energy: -503.290
Base-Backbone interact. energy: 3.383
local terms energy: -554.230816
where:
bonds (distance) C4'-P energy: -112.171
bonds (distance) P-C4' energy: -100.739
flat angles C4'-P-C4' energy: -121.149
flat angles P-C4'-P energy: -75.802
tors. eta vs tors. theta energy: -144.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1406.949019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.949019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.949019 (E_RNA)
where:
Base-Base interactions energy: -919.042
where: short stacking energy: -412.632
Base-Backbone interact. energy: 0.130
local terms energy: -488.036912
where:
bonds (distance) C4'-P energy: -111.109
bonds (distance) P-C4' energy: -114.302
flat angles C4'-P-C4' energy: -106.078
flat angles P-C4'-P energy: -68.377
tors. eta vs tors. theta energy: -88.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1411.966213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.966213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.966213 (E_RNA)
where:
Base-Base interactions energy: -959.409
where: short stacking energy: -445.925
Base-Backbone interact. energy: 3.699
local terms energy: -456.257124
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -87.208
flat angles C4'-P-C4' energy: -98.817
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -98.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1209.621825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.621825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.621825 (E_RNA)
where:
Base-Base interactions energy: -778.583
where: short stacking energy: -342.575
Base-Backbone interact. energy: -0.606
local terms energy: -430.433342
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -94.977
flat angles C4'-P-C4' energy: -116.476
flat angles P-C4'-P energy: -61.609
tors. eta vs tors. theta energy: -64.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -894.832929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.832929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.832929 (E_RNA)
where:
Base-Base interactions energy: -543.847
where: short stacking energy: -277.063
Base-Backbone interact. energy: -0.232
local terms energy: -350.753687
where:
bonds (distance) C4'-P energy: -86.777
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -88.221
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -48.030
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: 388
Temperature: 1.350000
Total energy: -628.023181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.023181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.023181 (E_RNA)
where:
Base-Base interactions energy: -332.673
where: short stacking energy: -201.301
Base-Backbone interact. energy: 3.932
local terms energy: -299.282186
where:
bonds (distance) C4'-P energy: -85.277
bonds (distance) P-C4' energy: -93.510
flat angles C4'-P-C4' energy: -80.541
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: 6.991
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: 389
Temperature: 0.900000
Total energy: -2039.367948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.367948 (E_RNA)
where:
Base-Base interactions energy: -1417.766
where: short stacking energy: -558.552
Base-Backbone interact. energy: -5.423
local terms energy: -616.178145
where:
bonds (distance) C4'-P energy: -119.160
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -130.283
flat angles P-C4'-P energy: -91.079
tors. eta vs tors. theta energy: -161.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1992.234109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.234109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.234109 (E_RNA)
where:
Base-Base interactions energy: -1373.247
where: short stacking energy: -557.676
Base-Backbone interact. energy: -2.311
local terms energy: -616.676707
where:
bonds (distance) C4'-P energy: -115.795
bonds (distance) P-C4' energy: -118.466
flat angles C4'-P-C4' energy: -133.499
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -163.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1795.503396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.503396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.503396 (E_RNA)
where:
Base-Base interactions energy: -1227.475
where: short stacking energy: -510.543
Base-Backbone interact. energy: -0.486
local terms energy: -567.543024
where:
bonds (distance) C4'-P energy: -105.099
bonds (distance) P-C4' energy: -117.873
flat angles C4'-P-C4' energy: -118.300
flat angles P-C4'-P energy: -81.839
tors. eta vs tors. theta energy: -144.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1716.222799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.222799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.222799 (E_RNA)
where:
Base-Base interactions energy: -1126.458
where: short stacking energy: -513.619
Base-Backbone interact. energy: -3.484
local terms energy: -586.280040
where:
bonds (distance) C4'-P energy: -108.388
bonds (distance) P-C4' energy: -116.100
flat angles C4'-P-C4' energy: -128.721
flat angles P-C4'-P energy: -81.994
tors. eta vs tors. theta energy: -151.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1700.258176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.258176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.258176 (E_RNA)
where:
Base-Base interactions energy: -1188.393
where: short stacking energy: -475.259
Base-Backbone interact. energy: 1.020
local terms energy: -512.884997
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -92.547
flat angles C4'-P-C4' energy: -121.144
flat angles P-C4'-P energy: -66.053
tors. eta vs tors. theta energy: -137.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1395.779274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.779274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.779274 (E_RNA)
where:
Base-Base interactions energy: -901.877
where: short stacking energy: -418.015
Base-Backbone interact. energy: -0.891
local terms energy: -493.011767
where:
bonds (distance) C4'-P energy: -113.600
bonds (distance) P-C4' energy: -109.759
flat angles C4'-P-C4' energy: -101.947
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -92.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1378.907005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.907005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.907005 (E_RNA)
where:
Base-Base interactions energy: -896.696
where: short stacking energy: -393.895
Base-Backbone interact. energy: -0.132
local terms energy: -482.078902
where:
bonds (distance) C4'-P energy: -107.945
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -96.604
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -102.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1201.611549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.611549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.611549 (E_RNA)
where:
Base-Base interactions energy: -765.489
where: short stacking energy: -365.301
Base-Backbone interact. energy: -2.660
local terms energy: -433.462094
where:
bonds (distance) C4'-P energy: -92.565
bonds (distance) P-C4' energy: -94.070
flat angles C4'-P-C4' energy: -119.680
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: -77.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -852.445102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.445102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.445102 (E_RNA)
where:
Base-Base interactions energy: -481.870
where: short stacking energy: -237.088
Base-Backbone interact. energy: 1.816
local terms energy: -372.390669
where:
bonds (distance) C4'-P energy: -87.299
bonds (distance) P-C4' energy: -105.816
flat angles C4'-P-C4' energy: -103.215
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -605.918297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.918297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.918297 (E_RNA)
where:
Base-Base interactions energy: -328.469
where: short stacking energy: -185.023
Base-Backbone interact. energy: 5.046
local terms energy: -282.495368
where:
bonds (distance) C4'-P energy: -89.103
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: 4.588
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: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2069.581512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.581512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.581512 (E_RNA)
where:
Base-Base interactions energy: -1447.242
where: short stacking energy: -587.372
Base-Backbone interact. energy: -4.545
local terms energy: -617.794358
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -116.612
flat angles C4'-P-C4' energy: -126.546
flat angles P-C4'-P energy: -91.962
tors. eta vs tors. theta energy: -168.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2003.912856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.912856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.912856 (E_RNA)
where:
Base-Base interactions energy: -1401.202
where: short stacking energy: -565.340
Base-Backbone interact. energy: -2.996
local terms energy: -599.715135
where:
bonds (distance) C4'-P energy: -104.037
bonds (distance) P-C4' energy: -111.307
flat angles C4'-P-C4' energy: -135.752
flat angles P-C4'-P energy: -80.904
tors. eta vs tors. theta energy: -167.714
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: 390
Temperature: 1.000000
Total energy: -1825.488644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.488644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.488644 (E_RNA)
where:
Base-Base interactions energy: -1241.713
where: short stacking energy: -502.734
Base-Backbone interact. energy: -2.858
local terms energy: -580.917135
where:
bonds (distance) C4'-P energy: -113.431
bonds (distance) P-C4' energy: -109.992
flat angles C4'-P-C4' energy: -127.257
flat angles P-C4'-P energy: -86.205
tors. eta vs tors. theta energy: -144.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1672.080566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.080566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.080566 (E_RNA)
where:
Base-Base interactions energy: -1111.953
where: short stacking energy: -509.558
Base-Backbone interact. energy: -0.880
local terms energy: -559.247814
where:
bonds (distance) C4'-P energy: -103.184
bonds (distance) P-C4' energy: -112.504
flat angles C4'-P-C4' energy: -122.499
flat angles P-C4'-P energy: -68.377
tors. eta vs tors. theta energy: -152.682
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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1680.234776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.234776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.234776 (E_RNA)
where:
Base-Base interactions energy: -1150.276
where: short stacking energy: -465.626
Base-Backbone interact. energy: -0.129
local terms energy: -529.829428
where:
bonds (distance) C4'-P energy: -112.201
bonds (distance) P-C4' energy: -98.959
flat angles C4'-P-C4' energy: -122.697
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -130.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1455.983498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.983498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.983498 (E_RNA)
where:
Base-Base interactions energy: -965.313
where: short stacking energy: -416.078
Base-Backbone interact. energy: 2.002
local terms energy: -492.672378
where:
bonds (distance) C4'-P energy: -103.440
bonds (distance) P-C4' energy: -107.774
flat angles C4'-P-C4' energy: -111.309
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -98.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1391.550587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.550587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.550587 (E_RNA)
where:
Base-Base interactions energy: -943.222
where: short stacking energy: -427.504
Base-Backbone interact. energy: -0.227
local terms energy: -448.101985
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -93.394
flat angles C4'-P-C4' energy: -101.353
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -110.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1262.429314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.429314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.429314 (E_RNA)
where:
Base-Base interactions energy: -830.044
where: short stacking energy: -354.928
Base-Backbone interact. energy: 0.901
local terms energy: -433.287136
where:
bonds (distance) C4'-P energy: -93.886
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -94.087
flat angles P-C4'-P energy: -67.199
tors. eta vs tors. theta energy: -69.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -867.437847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.437847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.437847 (E_RNA)
where:
Base-Base interactions energy: -523.464
where: short stacking energy: -263.397
Base-Backbone interact. energy: 0.602
local terms energy: -344.576419
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -59.032
tors. eta vs tors. theta energy: -32.393
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -603.771564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.771564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.771564 (E_RNA)
where:
Base-Base interactions energy: -309.556
where: short stacking energy: -185.080
Base-Backbone interact. energy: 2.039
local terms energy: -296.254152
where:
bonds (distance) C4'-P energy: -84.937
bonds (distance) P-C4' energy: -87.121
flat angles C4'-P-C4' energy: -91.298
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: 10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2065.423224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.423224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.423224 (E_RNA)
where:
Base-Base interactions energy: -1451.433
where: short stacking energy: -553.405
Base-Backbone interact. energy: -3.132
local terms energy: -610.858299
where:
bonds (distance) C4'-P energy: -110.562
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -140.127
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -158.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1997.484910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.484910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.484910 (E_RNA)
where:
Base-Base interactions energy: -1396.797
where: short stacking energy: -555.242
Base-Backbone interact. energy: 1.542
local terms energy: -602.230330
where:
bonds (distance) C4'-P energy: -115.795
bonds (distance) P-C4' energy: -105.988
flat angles C4'-P-C4' energy: -129.683
flat angles P-C4'-P energy: -87.194
tors. eta vs tors. theta energy: -163.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1821.342300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.342300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.342300 (E_RNA)
where:
Base-Base interactions energy: -1268.790
where: short stacking energy: -537.184
Base-Backbone interact. energy: -3.357
local terms energy: -549.195061
where:
bonds (distance) C4'-P energy: -92.133
bonds (distance) P-C4' energy: -114.577
flat angles C4'-P-C4' energy: -114.093
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -147.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1792.191260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.191260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.191260 (E_RNA)
where:
Base-Base interactions energy: -1250.476
where: short stacking energy: -508.565
Base-Backbone interact. energy: 5.049
local terms energy: -546.763942
where:
bonds (distance) C4'-P energy: -100.606
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -69.612
tors. eta vs tors. theta energy: -147.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1624.256799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.256799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.256799 (E_RNA)
where:
Base-Base interactions energy: -1096.797
where: short stacking energy: -515.956
Base-Backbone interact. energy: -2.066
local terms energy: -525.393907
where:
bonds (distance) C4'-P energy: -107.629
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -104.520
flat angles P-C4'-P energy: -68.468
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: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1452.548938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.548938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.548938 (E_RNA)
where:
Base-Base interactions energy: -940.324
where: short stacking energy: -415.392
Base-Backbone interact. energy: 0.826
local terms energy: -513.050754
where:
bonds (distance) C4'-P energy: -111.515
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -109.620
flat angles P-C4'-P energy: -86.149
tors. eta vs tors. theta energy: -112.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1434.574391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.574391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.574391 (E_RNA)
where:
Base-Base interactions energy: -934.825
where: short stacking energy: -419.468
Base-Backbone interact. energy: 3.255
local terms energy: -503.003885
where:
bonds (distance) C4'-P energy: -92.490
bonds (distance) P-C4' energy: -109.129
flat angles C4'-P-C4' energy: -110.225
flat angles P-C4'-P energy: -90.554
tors. eta vs tors. theta energy: -100.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1296.197295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.197295 (E_RNA)
where:
Base-Base interactions energy: -856.798
where: short stacking energy: -356.272
Base-Backbone interact. energy: 1.005
local terms energy: -440.404868
where:
bonds (distance) C4'-P energy: -89.882
bonds (distance) P-C4' energy: -94.841
flat angles C4'-P-C4' energy: -106.566
flat angles P-C4'-P energy: -74.026
tors. eta vs tors. theta energy: -75.091
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -904.047419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.047419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.047419 (E_RNA)
where:
Base-Base interactions energy: -538.339
where: short stacking energy: -253.418
Base-Backbone interact. energy: 0.184
local terms energy: -365.893044
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -100.239
flat angles C4'-P-C4' energy: -78.609
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -35.643
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: 391
Temperature: 1.350000
Total energy: -549.704308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.704308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.704308 (E_RNA)
where:
Base-Base interactions energy: -245.194
where: short stacking energy: -158.223
Base-Backbone interact. energy: 3.180
local terms energy: -307.689719
where:
bonds (distance) C4'-P energy: -87.474
bonds (distance) P-C4' energy: -111.971
flat angles C4'-P-C4' energy: -81.701
flat angles P-C4'-P energy: -29.874
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2074.381111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.381111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.381111 (E_RNA)
where:
Base-Base interactions energy: -1454.720
where: short stacking energy: -567.515
Base-Backbone interact. energy: -1.216
local terms energy: -618.445174
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -132.485
flat angles P-C4'-P energy: -101.211
tors. eta vs tors. theta energy: -153.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1993.297383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.297383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.297383 (E_RNA)
where:
Base-Base interactions energy: -1397.627
where: short stacking energy: -542.836
Base-Backbone interact. energy: 1.717
local terms energy: -597.388093
where:
bonds (distance) C4'-P energy: -110.159
bonds (distance) P-C4' energy: -121.228
flat angles C4'-P-C4' energy: -121.258
flat angles P-C4'-P energy: -87.813
tors. eta vs tors. theta energy: -156.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1818.243179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.243179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.243179 (E_RNA)
where:
Base-Base interactions energy: -1249.338
where: short stacking energy: -510.288
Base-Backbone interact. energy: -0.692
local terms energy: -568.212871
where:
bonds (distance) C4'-P energy: -108.022
bonds (distance) P-C4' energy: -109.623
flat angles C4'-P-C4' energy: -120.947
flat angles P-C4'-P energy: -86.265
tors. eta vs tors. theta energy: -143.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1769.286650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.286650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.286650 (E_RNA)
where:
Base-Base interactions energy: -1202.113
where: short stacking energy: -507.490
Base-Backbone interact. energy: 0.710
local terms energy: -567.883306
where:
bonds (distance) C4'-P energy: -102.167
bonds (distance) P-C4' energy: -110.922
flat angles C4'-P-C4' energy: -132.537
flat angles P-C4'-P energy: -80.204
tors. eta vs tors. theta energy: -142.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1624.372413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.372413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.372413 (E_RNA)
where:
Base-Base interactions energy: -1082.583
where: short stacking energy: -486.937
Base-Backbone interact. energy: -2.319
local terms energy: -539.470544
where:
bonds (distance) C4'-P energy: -108.191
bonds (distance) P-C4' energy: -102.582
flat angles C4'-P-C4' energy: -117.674
flat angles P-C4'-P energy: -76.404
tors. eta vs tors. theta energy: -134.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1484.671796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.671796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.671796 (E_RNA)
where:
Base-Base interactions energy: -986.823
where: short stacking energy: -436.430
Base-Backbone interact. energy: -0.131
local terms energy: -497.717685
where:
bonds (distance) C4'-P energy: -106.372
bonds (distance) P-C4' energy: -101.060
flat angles C4'-P-C4' energy: -115.571
flat angles P-C4'-P energy: -65.643
tors. eta vs tors. theta energy: -109.073
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: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1365.790490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.790490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.790490 (E_RNA)
where:
Base-Base interactions energy: -873.528
where: short stacking energy: -378.996
Base-Backbone interact. energy: 1.735
local terms energy: -493.996561
where:
bonds (distance) C4'-P energy: -109.236
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -112.172
flat angles P-C4'-P energy: -58.405
tors. eta vs tors. theta energy: -102.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1240.396224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.396224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.396224 (E_RNA)
where:
Base-Base interactions energy: -797.882
where: short stacking energy: -331.083
Base-Backbone interact. energy: -1.611
local terms energy: -440.902741
where:
bonds (distance) C4'-P energy: -103.110
bonds (distance) P-C4' energy: -111.524
flat angles C4'-P-C4' energy: -102.409
flat angles P-C4'-P energy: -63.036
tors. eta vs tors. theta energy: -60.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -929.468642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.468642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.468642 (E_RNA)
where:
Base-Base interactions energy: -551.484
where: short stacking energy: -273.939
Base-Backbone interact. energy: -3.287
local terms energy: -374.697481
where:
bonds (distance) C4'-P energy: -94.490
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -102.068
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -538.106521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.106521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.106521 (E_RNA)
where:
Base-Base interactions energy: -255.899
where: short stacking energy: -145.629
Base-Backbone interact. energy: -3.461
local terms energy: -278.746064
where:
bonds (distance) C4'-P energy: -93.309
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -69.681
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: 27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2080.119312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.119312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.119312 (E_RNA)
where:
Base-Base interactions energy: -1439.164
where: short stacking energy: -562.343
Base-Backbone interact. energy: -0.202
local terms energy: -640.754139
where:
bonds (distance) C4'-P energy: -123.036
bonds (distance) P-C4' energy: -125.171
flat angles C4'-P-C4' energy: -140.665
flat angles P-C4'-P energy: -88.677
tors. eta vs tors. theta energy: -163.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1973.260488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.260488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.260488 (E_RNA)
where:
Base-Base interactions energy: -1398.694
where: short stacking energy: -557.036
Base-Backbone interact. energy: 2.114
local terms energy: -576.680538
where:
bonds (distance) C4'-P energy: -114.438
bonds (distance) P-C4' energy: -110.953
flat angles C4'-P-C4' energy: -121.092
flat angles P-C4'-P energy: -77.584
tors. eta vs tors. theta energy: -152.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1815.648135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.648135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.648135 (E_RNA)
where:
Base-Base interactions energy: -1245.349
where: short stacking energy: -505.671
Base-Backbone interact. energy: 0.575
local terms energy: -570.874087
where:
bonds (distance) C4'-P energy: -114.834
bonds (distance) P-C4' energy: -99.946
flat angles C4'-P-C4' energy: -129.771
flat angles P-C4'-P energy: -69.985
tors. eta vs tors. theta energy: -156.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1758.083453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.083453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.083453 (E_RNA)
where:
Base-Base interactions energy: -1197.544
where: short stacking energy: -504.340
Base-Backbone interact. energy: -2.999
local terms energy: -557.540515
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -108.084
flat angles C4'-P-C4' energy: -112.259
flat angles P-C4'-P energy: -84.789
tors. eta vs tors. theta energy: -146.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1651.380308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.380308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.380308 (E_RNA)
where:
Base-Base interactions energy: -1094.669
where: short stacking energy: -496.711
Base-Backbone interact. energy: 0.288
local terms energy: -556.999203
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -110.989
flat angles C4'-P-C4' energy: -117.193
flat angles P-C4'-P energy: -74.739
tors. eta vs tors. theta energy: -142.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1478.591021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.591021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.591021 (E_RNA)
where:
Base-Base interactions energy: -1000.593
where: short stacking energy: -442.765
Base-Backbone interact. energy: -2.246
local terms energy: -475.752139
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -97.600
flat angles C4'-P-C4' energy: -116.675
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -118.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1384.651535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.651535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.651535 (E_RNA)
where:
Base-Base interactions energy: -891.099
where: short stacking energy: -413.780
Base-Backbone interact. energy: -0.851
local terms energy: -492.701893
where:
bonds (distance) C4'-P energy: -89.567
bonds (distance) P-C4' energy: -112.704
flat angles C4'-P-C4' energy: -118.459
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -105.298
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1183.851096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.851096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.851096 (E_RNA)
where:
Base-Base interactions energy: -757.508
where: short stacking energy: -331.446
Base-Backbone interact. energy: 0.023
local terms energy: -426.366269
where:
bonds (distance) C4'-P energy: -108.897
bonds (distance) P-C4' energy: -93.437
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -51.147
tors. eta vs tors. theta energy: -71.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -863.875918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.875918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.875918 (E_RNA)
where:
Base-Base interactions energy: -504.146
where: short stacking energy: -263.042
Base-Backbone interact. energy: 2.567
local terms energy: -362.297092
where:
bonds (distance) C4'-P energy: -87.355
bonds (distance) P-C4' energy: -81.457
flat angles C4'-P-C4' energy: -91.520
flat angles P-C4'-P energy: -67.448
tors. eta vs tors. theta energy: -34.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -541.076728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.076728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.076728 (E_RNA)
where:
Base-Base interactions energy: -215.542
where: short stacking energy: -138.930
Base-Backbone interact. energy: 0.444
local terms energy: -325.978623
where:
bonds (distance) C4'-P energy: -94.252
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -99.181
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: 17.410
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: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2083.747859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.747859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.747859 (E_RNA)
where:
Base-Base interactions energy: -1458.400
where: short stacking energy: -571.157
Base-Backbone interact. energy: -6.323
local terms energy: -619.025550
where:
bonds (distance) C4'-P energy: -106.832
bonds (distance) P-C4' energy: -116.831
flat angles C4'-P-C4' energy: -131.129
flat angles P-C4'-P energy: -99.373
tors. eta vs tors. theta energy: -164.860
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1959.924712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.924712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.924712 (E_RNA)
where:
Base-Base interactions energy: -1355.158
where: short stacking energy: -518.096
Base-Backbone interact. energy: -3.317
local terms energy: -601.450649
where:
bonds (distance) C4'-P energy: -107.337
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -125.262
flat angles P-C4'-P energy: -97.015
tors. eta vs tors. theta energy: -155.486
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: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1870.254738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.254738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.254738 (E_RNA)
where:
Base-Base interactions energy: -1297.979
where: short stacking energy: -525.715
Base-Backbone interact. energy: -4.152
local terms energy: -568.124055
where:
bonds (distance) C4'-P energy: -110.811
bonds (distance) P-C4' energy: -113.982
flat angles C4'-P-C4' energy: -110.376
flat angles P-C4'-P energy: -87.427
tors. eta vs tors. theta energy: -145.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1765.208746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.208746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.208746 (E_RNA)
where:
Base-Base interactions energy: -1200.932
where: short stacking energy: -483.676
Base-Backbone interact. energy: -0.411
local terms energy: -563.865301
where:
bonds (distance) C4'-P energy: -117.265
bonds (distance) P-C4' energy: -101.783
flat angles C4'-P-C4' energy: -124.003
flat angles P-C4'-P energy: -81.240
tors. eta vs tors. theta energy: -139.575
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1633.751776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.751776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.751776 (E_RNA)
where:
Base-Base interactions energy: -1083.020
where: short stacking energy: -464.841
Base-Backbone interact. energy: 0.417
local terms energy: -551.148665
where:
bonds (distance) C4'-P energy: -96.374
bonds (distance) P-C4' energy: -116.897
flat angles C4'-P-C4' energy: -110.391
flat angles P-C4'-P energy: -79.634
tors. eta vs tors. theta energy: -147.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1463.444827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.444827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.444827 (E_RNA)
where:
Base-Base interactions energy: -972.645
where: short stacking energy: -426.086
Base-Backbone interact. energy: 0.367
local terms energy: -491.166633
where:
bonds (distance) C4'-P energy: -85.813
bonds (distance) P-C4' energy: -113.664
flat angles C4'-P-C4' energy: -116.796
flat angles P-C4'-P energy: -72.946
tors. eta vs tors. theta energy: -101.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1353.116340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.116340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.116340 (E_RNA)
where:
Base-Base interactions energy: -873.631
where: short stacking energy: -387.178
Base-Backbone interact. energy: -0.138
local terms energy: -479.347019
where:
bonds (distance) C4'-P energy: -98.810
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -109.303
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -96.532
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: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1228.974162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.974162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.974162 (E_RNA)
where:
Base-Base interactions energy: -793.732
where: short stacking energy: -331.920
Base-Backbone interact. energy: -0.128
local terms energy: -435.114061
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -109.612
flat angles C4'-P-C4' energy: -98.121
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -70.094
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: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -819.571280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.571280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.571280 (E_RNA)
where:
Base-Base interactions energy: -472.937
where: short stacking energy: -208.604
Base-Backbone interact. energy: -1.289
local terms energy: -345.345832
where:
bonds (distance) C4'-P energy: -96.248
bonds (distance) P-C4' energy: -90.322
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: -15.582
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: 394
Temperature: 1.350000
Total energy: -554.278235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.278235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.278235 (E_RNA)
where:
Base-Base interactions energy: -252.523
where: short stacking energy: -143.773
Base-Backbone interact. energy: 5.930
local terms energy: -307.684611
where:
bonds (distance) C4'-P energy: -81.810
bonds (distance) P-C4' energy: -97.201
flat angles C4'-P-C4' energy: -74.618
flat angles P-C4'-P energy: -63.794
tors. eta vs tors. theta energy: 9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2084.637352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.637352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.637352 (E_RNA)
where:
Base-Base interactions energy: -1469.800
where: short stacking energy: -578.068
Base-Backbone interact. energy: -2.350
local terms energy: -612.487286
where:
bonds (distance) C4'-P energy: -118.766
bonds (distance) P-C4' energy: -112.254
flat angles C4'-P-C4' energy: -130.573
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -165.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1984.945060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.945060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.945060 (E_RNA)
where:
Base-Base interactions energy: -1382.496
where: short stacking energy: -558.440
Base-Backbone interact. energy: -4.525
local terms energy: -597.924171
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -130.664
flat angles P-C4'-P energy: -87.388
tors. eta vs tors. theta energy: -159.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1853.219331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.219331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.219331 (E_RNA)
where:
Base-Base interactions energy: -1263.009
where: short stacking energy: -525.506
Base-Backbone interact. energy: 0.575
local terms energy: -590.785466
where:
bonds (distance) C4'-P energy: -116.244
bonds (distance) P-C4' energy: -118.097
flat angles C4'-P-C4' energy: -119.502
flat angles P-C4'-P energy: -85.675
tors. eta vs tors. theta energy: -151.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1757.267736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.267736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.267736 (E_RNA)
where:
Base-Base interactions energy: -1204.930
where: short stacking energy: -497.528
Base-Backbone interact. energy: 0.031
local terms energy: -552.368699
where:
bonds (distance) C4'-P energy: -103.366
bonds (distance) P-C4' energy: -98.639
flat angles C4'-P-C4' energy: -131.891
flat angles P-C4'-P energy: -74.456
tors. eta vs tors. theta energy: -144.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1660.502144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.502144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.502144 (E_RNA)
where:
Base-Base interactions energy: -1114.654
where: short stacking energy: -516.816
Base-Backbone interact. energy: 1.002
local terms energy: -546.850246
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -104.105
flat angles C4'-P-C4' energy: -119.019
flat angles P-C4'-P energy: -66.861
tors. eta vs tors. theta energy: -156.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1488.670085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.670085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.670085 (E_RNA)
where:
Base-Base interactions energy: -1002.281
where: short stacking energy: -443.384
Base-Backbone interact. energy: 0.190
local terms energy: -486.579352
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -106.711
flat angles C4'-P-C4' energy: -107.509
flat angles P-C4'-P energy: -69.001
tors. eta vs tors. theta energy: -109.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1362.995576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.995576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.995576 (E_RNA)
where:
Base-Base interactions energy: -879.916
where: short stacking energy: -390.015
Base-Backbone interact. energy: -0.980
local terms energy: -482.099098
where:
bonds (distance) C4'-P energy: -89.380
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -111.890
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -94.700
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: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1261.759054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.759054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.759054 (E_RNA)
where:
Base-Base interactions energy: -847.973
where: short stacking energy: -354.219
Base-Backbone interact. energy: -0.389
local terms energy: -413.397124
where:
bonds (distance) C4'-P energy: -81.050
bonds (distance) P-C4' energy: -96.400
flat angles C4'-P-C4' energy: -100.710
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -63.566
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: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -850.942501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.942501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.942501 (E_RNA)
where:
Base-Base interactions energy: -470.696
where: short stacking energy: -250.257
Base-Backbone interact. energy: -1.853
local terms energy: -378.393719
where:
bonds (distance) C4'-P energy: -85.287
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -548.533509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.533509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.533509 (E_RNA)
where:
Base-Base interactions energy: -248.544
where: short stacking energy: -165.162
Base-Backbone interact. energy: 0.018
local terms energy: -300.007358
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -94.663
flat angles C4'-P-C4' energy: -62.899
flat angles P-C4'-P energy: -60.971
tors. eta vs tors. theta energy: 12.354
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: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2097.576483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.576483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.576483 (E_RNA)
where:
Base-Base interactions energy: -1483.406
where: short stacking energy: -579.137
Base-Backbone interact. energy: -1.029
local terms energy: -613.141299
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -128.712
flat angles C4'-P-C4' energy: -116.455
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -167.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1976.425542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.425542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.425542 (E_RNA)
where:
Base-Base interactions energy: -1363.892
where: short stacking energy: -556.773
Base-Backbone interact. energy: -4.266
local terms energy: -608.267456
where:
bonds (distance) C4'-P energy: -113.810
bonds (distance) P-C4' energy: -111.480
flat angles C4'-P-C4' energy: -128.066
flat angles P-C4'-P energy: -87.013
tors. eta vs tors. theta energy: -167.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1808.843537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.843537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.843537 (E_RNA)
where:
Base-Base interactions energy: -1248.428
where: short stacking energy: -506.375
Base-Backbone interact. energy: 1.044
local terms energy: -561.459278
where:
bonds (distance) C4'-P energy: -103.727
bonds (distance) P-C4' energy: -126.274
flat angles C4'-P-C4' energy: -119.746
flat angles P-C4'-P energy: -82.132
tors. eta vs tors. theta energy: -129.581
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: 396
Temperature: 1.050000
Total energy: -1822.113789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.113789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.113789 (E_RNA)
where:
Base-Base interactions energy: -1247.185
where: short stacking energy: -500.559
Base-Backbone interact. energy: -0.843
local terms energy: -574.085648
where:
bonds (distance) C4'-P energy: -104.214
bonds (distance) P-C4' energy: -116.116
flat angles C4'-P-C4' energy: -120.772
flat angles P-C4'-P energy: -88.006
tors. eta vs tors. theta energy: -144.977
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1687.673566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.673566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.673566 (E_RNA)
where:
Base-Base interactions energy: -1140.230
where: short stacking energy: -523.446
Base-Backbone interact. energy: 1.647
local terms energy: -549.090867
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -116.544
flat angles C4'-P-C4' energy: -106.815
flat angles P-C4'-P energy: -87.775
tors. eta vs tors. theta energy: -144.796
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1455.790932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.790932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.790932 (E_RNA)
where:
Base-Base interactions energy: -968.659
where: short stacking energy: -438.046
Base-Backbone interact. energy: 0.377
local terms energy: -487.509297
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -110.134
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: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1351.325612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.325612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.325612 (E_RNA)
where:
Base-Base interactions energy: -886.122
where: short stacking energy: -424.640
Base-Backbone interact. energy: -0.356
local terms energy: -464.847573
where:
bonds (distance) C4'-P energy: -95.055
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -110.215
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -102.218
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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1235.910376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.910376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.910376 (E_RNA)
where:
Base-Base interactions energy: -816.177
where: short stacking energy: -347.939
Base-Backbone interact. energy: -0.172
local terms energy: -419.561492
where:
bonds (distance) C4'-P energy: -89.393
bonds (distance) P-C4' energy: -98.334
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -72.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -831.151194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.151194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.151194 (E_RNA)
where:
Base-Base interactions energy: -471.891
where: short stacking energy: -244.425
Base-Backbone interact. energy: -1.088
local terms energy: -358.172273
where:
bonds (distance) C4'-P energy: -97.278
bonds (distance) P-C4' energy: -113.315
flat angles C4'-P-C4' energy: -97.482
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -549.710220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.710220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.710220 (E_RNA)
where:
Base-Base interactions energy: -278.994
where: short stacking energy: -165.577
Base-Backbone interact. energy: -1.723
local terms energy: -268.993348
where:
bonds (distance) C4'-P energy: -84.070
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: 26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2071.298155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.298155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.298155 (E_RNA)
where:
Base-Base interactions energy: -1439.489
where: short stacking energy: -568.892
Base-Backbone interact. energy: -2.845
local terms energy: -628.964027
where:
bonds (distance) C4'-P energy: -120.998
bonds (distance) P-C4' energy: -123.509
flat angles C4'-P-C4' energy: -125.465
flat angles P-C4'-P energy: -89.886
tors. eta vs tors. theta energy: -169.107
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: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1975.938653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.938653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.938653 (E_RNA)
where:
Base-Base interactions energy: -1370.526
where: short stacking energy: -550.103
Base-Backbone interact. energy: -5.025
local terms energy: -600.388149
where:
bonds (distance) C4'-P energy: -118.177
bonds (distance) P-C4' energy: -119.826
flat angles C4'-P-C4' energy: -121.531
flat angles P-C4'-P energy: -75.864
tors. eta vs tors. theta energy: -164.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1798.884875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.884875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.884875 (E_RNA)
where:
Base-Base interactions energy: -1234.461
where: short stacking energy: -504.969
Base-Backbone interact. energy: -1.208
local terms energy: -563.216298
where:
bonds (distance) C4'-P energy: -103.710
bonds (distance) P-C4' energy: -115.897
flat angles C4'-P-C4' energy: -120.264
flat angles P-C4'-P energy: -79.567
tors. eta vs tors. theta energy: -143.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1800.996548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.996548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.996548 (E_RNA)
where:
Base-Base interactions energy: -1264.641
where: short stacking energy: -516.102
Base-Backbone interact. energy: -0.818
local terms energy: -535.537702
where:
bonds (distance) C4'-P energy: -102.388
bonds (distance) P-C4' energy: -114.742
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -64.613
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: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1662.210594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.210594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.210594 (E_RNA)
where:
Base-Base interactions energy: -1102.853
where: short stacking energy: -488.424
Base-Backbone interact. energy: -1.976
local terms energy: -557.381782
where:
bonds (distance) C4'-P energy: -101.679
bonds (distance) P-C4' energy: -115.193
flat angles C4'-P-C4' energy: -111.107
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -146.980
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: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1465.051687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.051687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.051687 (E_RNA)
where:
Base-Base interactions energy: -958.411
where: short stacking energy: -437.511
Base-Backbone interact. energy: -1.068
local terms energy: -505.572003
where:
bonds (distance) C4'-P energy: -89.452
bonds (distance) P-C4' energy: -111.395
flat angles C4'-P-C4' energy: -113.764
flat angles P-C4'-P energy: -86.527
tors. eta vs tors. theta energy: -104.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1358.109391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.109391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.109391 (E_RNA)
where:
Base-Base interactions energy: -908.606
where: short stacking energy: -404.332
Base-Backbone interact. energy: 1.070
local terms energy: -450.573804
where:
bonds (distance) C4'-P energy: -91.690
bonds (distance) P-C4' energy: -101.724
flat angles C4'-P-C4' energy: -106.356
flat angles P-C4'-P energy: -65.250
tors. eta vs tors. theta energy: -85.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1329.550303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.550303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.550303 (E_RNA)
where:
Base-Base interactions energy: -883.477
where: short stacking energy: -380.010
Base-Backbone interact. energy: 2.674
local terms energy: -448.746814
where:
bonds (distance) C4'-P energy: -98.369
bonds (distance) P-C4' energy: -92.004
flat angles C4'-P-C4' energy: -114.361
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -82.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -875.208702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.208702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.208702 (E_RNA)
where:
Base-Base interactions energy: -505.543
where: short stacking energy: -242.763
Base-Backbone interact. energy: 1.469
local terms energy: -371.134936
where:
bonds (distance) C4'-P energy: -88.473
bonds (distance) P-C4' energy: -106.890
flat angles C4'-P-C4' energy: -73.447
flat angles P-C4'-P energy: -62.795
tors. eta vs tors. theta energy: -39.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -589.226695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.226695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.226695 (E_RNA)
where:
Base-Base interactions energy: -284.341
where: short stacking energy: -161.480
Base-Backbone interact. energy: -2.551
local terms energy: -302.334859
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -97.109
flat angles C4'-P-C4' energy: -94.760
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: 23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2061.801968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.801968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.801968 (E_RNA)
where:
Base-Base interactions energy: -1436.776
where: short stacking energy: -563.012
Base-Backbone interact. energy: -2.188
local terms energy: -622.837466
where:
bonds (distance) C4'-P energy: -121.080
bonds (distance) P-C4' energy: -124.400
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -89.138
tors. eta vs tors. theta energy: -165.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1991.346511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.346511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.346511 (E_RNA)
where:
Base-Base interactions energy: -1369.348
where: short stacking energy: -588.040
Base-Backbone interact. energy: -3.334
local terms energy: -618.665271
where:
bonds (distance) C4'-P energy: -115.973
bonds (distance) P-C4' energy: -122.570
flat angles C4'-P-C4' energy: -130.937
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -159.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1872.356583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.356583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.356583 (E_RNA)
where:
Base-Base interactions energy: -1294.194
where: short stacking energy: -546.912
Base-Backbone interact. energy: 0.425
local terms energy: -578.587736
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -107.613
flat angles C4'-P-C4' energy: -119.497
flat angles P-C4'-P energy: -85.549
tors. eta vs tors. theta energy: -151.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1742.113583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.113583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.113583 (E_RNA)
where:
Base-Base interactions energy: -1193.610
where: short stacking energy: -478.460
Base-Backbone interact. energy: -3.190
local terms energy: -545.313297
where:
bonds (distance) C4'-P energy: -112.218
bonds (distance) P-C4' energy: -110.906
flat angles C4'-P-C4' energy: -117.894
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -129.506
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: 398
Temperature: 1.100000
Total energy: -1665.521275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.521275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.521275 (E_RNA)
where:
Base-Base interactions energy: -1120.951
where: short stacking energy: -509.376
Base-Backbone interact. energy: -1.762
local terms energy: -542.807905
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -106.431
flat angles C4'-P-C4' energy: -113.430
flat angles P-C4'-P energy: -76.395
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: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1477.421786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.421786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.421786 (E_RNA)
where:
Base-Base interactions energy: -982.331
where: short stacking energy: -434.111
Base-Backbone interact. energy: -1.761
local terms energy: -493.329636
where:
bonds (distance) C4'-P energy: -87.477
bonds (distance) P-C4' energy: -106.565
flat angles C4'-P-C4' energy: -108.504
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: -114.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1352.756679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.756679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.756679 (E_RNA)
where:
Base-Base interactions energy: -893.394
where: short stacking energy: -388.796
Base-Backbone interact. energy: 1.086
local terms energy: -460.448361
where:
bonds (distance) C4'-P energy: -97.187
bonds (distance) P-C4' energy: -94.315
flat angles C4'-P-C4' energy: -103.447
flat angles P-C4'-P energy: -71.509
tors. eta vs tors. theta energy: -93.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1293.165757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.165757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.165757 (E_RNA)
where:
Base-Base interactions energy: -866.853
where: short stacking energy: -367.841
Base-Backbone interact. energy: 1.073
local terms energy: -427.384952
where:
bonds (distance) C4'-P energy: -102.952
bonds (distance) P-C4' energy: -99.483
flat angles C4'-P-C4' energy: -94.275
flat angles P-C4'-P energy: -58.289
tors. eta vs tors. theta energy: -72.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -866.353732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.353732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.353732 (E_RNA)
where:
Base-Base interactions energy: -480.543
where: short stacking energy: -246.261
Base-Backbone interact. energy: 1.911
local terms energy: -387.720955
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -110.208
flat angles C4'-P-C4' energy: -82.825
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -605.152070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.152070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.152070 (E_RNA)
where:
Base-Base interactions energy: -267.731
where: short stacking energy: -152.320
Base-Backbone interact. energy: 0.819
local terms energy: -338.240544
where:
bonds (distance) C4'-P energy: -95.970
bonds (distance) P-C4' energy: -113.194
flat angles C4'-P-C4' energy: -96.943
flat angles P-C4'-P energy: -47.808
tors. eta vs tors. theta energy: 15.675
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: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2062.305612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.305612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.305612 (E_RNA)
where:
Base-Base interactions energy: -1454.533
where: short stacking energy: -572.113
Base-Backbone interact. energy: -1.700
local terms energy: -606.072571
where:
bonds (distance) C4'-P energy: -112.498
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -127.597
flat angles P-C4'-P energy: -90.562
tors. eta vs tors. theta energy: -162.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1996.925416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.925416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.925416 (E_RNA)
where:
Base-Base interactions energy: -1408.250
where: short stacking energy: -566.038
Base-Backbone interact. energy: -5.252
local terms energy: -583.424269
where:
bonds (distance) C4'-P energy: -97.475
bonds (distance) P-C4' energy: -115.089
flat angles C4'-P-C4' energy: -127.129
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -170.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1912.121185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.121185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.121185 (E_RNA)
where:
Base-Base interactions energy: -1335.634
where: short stacking energy: -534.921
Base-Backbone interact. energy: -2.512
local terms energy: -573.974478
where:
bonds (distance) C4'-P energy: -114.371
bonds (distance) P-C4' energy: -105.698
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -76.098
tors. eta vs tors. theta energy: -159.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1771.961685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.961685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.961685 (E_RNA)
where:
Base-Base interactions energy: -1214.527
where: short stacking energy: -515.973
Base-Backbone interact. energy: -1.815
local terms energy: -555.620051
where:
bonds (distance) C4'-P energy: -114.704
bonds (distance) P-C4' energy: -105.204
flat angles C4'-P-C4' energy: -117.243
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -147.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1646.023691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.023691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.023691 (E_RNA)
where:
Base-Base interactions energy: -1095.765
where: short stacking energy: -489.892
Base-Backbone interact. energy: -2.211
local terms energy: -548.047611
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -112.604
flat angles C4'-P-C4' energy: -119.590
flat angles P-C4'-P energy: -79.670
tors. eta vs tors. theta energy: -143.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1447.599581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.599581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.599581 (E_RNA)
where:
Base-Base interactions energy: -962.662
where: short stacking energy: -407.309
Base-Backbone interact. energy: -3.946
local terms energy: -480.991409
where:
bonds (distance) C4'-P energy: -109.951
bonds (distance) P-C4' energy: -90.305
flat angles C4'-P-C4' energy: -105.173
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -98.792
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: 399
Temperature: 1.200000
Total energy: -1430.045599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.045599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.045599 (E_RNA)
where:
Base-Base interactions energy: -910.686
where: short stacking energy: -415.003
Base-Backbone interact. energy: 1.233
local terms energy: -520.592699
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -126.027
flat angles C4'-P-C4' energy: -119.534
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -105.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1171.988671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.988671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.988671 (E_RNA)
where:
Base-Base interactions energy: -771.735
where: short stacking energy: -326.064
Base-Backbone interact. energy: -1.605
local terms energy: -398.648826
where:
bonds (distance) C4'-P energy: -82.800
bonds (distance) P-C4' energy: -100.973
flat angles C4'-P-C4' energy: -98.658
flat angles P-C4'-P energy: -54.798
tors. eta vs tors. theta energy: -61.419
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -863.918949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.918949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.918949 (E_RNA)
where:
Base-Base interactions energy: -491.784
where: short stacking energy: -253.970
Base-Backbone interact. energy: 2.241
local terms energy: -374.376591
where:
bonds (distance) C4'-P energy: -101.483
bonds (distance) P-C4' energy: -95.946
flat angles C4'-P-C4' energy: -91.532
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -582.620005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.620005 (E_RNA)
where:
Base-Base interactions energy: -291.252
where: short stacking energy: -155.612
Base-Backbone interact. energy: 3.147
local terms energy: -294.514455
where:
bonds (distance) C4'-P energy: -83.807
bonds (distance) P-C4' energy: -94.073
flat angles C4'-P-C4' energy: -78.174
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: 5.572
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2034.292300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.292300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.292300 (E_RNA)
where:
Base-Base interactions energy: -1421.988
where: short stacking energy: -580.676
Base-Backbone interact. energy: 0.920
local terms energy: -613.223935
where:
bonds (distance) C4'-P energy: -112.155
bonds (distance) P-C4' energy: -115.774
flat angles C4'-P-C4' energy: -132.401
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: -166.019
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2028.964423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.964423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.964423 (E_RNA)
where:
Base-Base interactions energy: -1424.578
where: short stacking energy: -575.620
Base-Backbone interact. energy: -3.653
local terms energy: -600.733150
where:
bonds (distance) C4'-P energy: -113.336
bonds (distance) P-C4' energy: -110.677
flat angles C4'-P-C4' energy: -139.654
flat angles P-C4'-P energy: -75.288
tors. eta vs tors. theta energy: -161.778
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1899.415303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.415303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.415303 (E_RNA)
where:
Base-Base interactions energy: -1348.092
where: short stacking energy: -533.114
Base-Backbone interact. energy: -3.098
local terms energy: -548.225015
where:
bonds (distance) C4'-P energy: -97.520
bonds (distance) P-C4' energy: -111.605
flat angles C4'-P-C4' energy: -115.754
flat angles P-C4'-P energy: -76.467
tors. eta vs tors. theta energy: -146.878
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: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1736.402432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.402432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.402432 (E_RNA)
where:
Base-Base interactions energy: -1201.848
where: short stacking energy: -487.408
Base-Backbone interact. energy: -2.031
local terms energy: -532.524023
where:
bonds (distance) C4'-P energy: -103.583
bonds (distance) P-C4' energy: -110.764
flat angles C4'-P-C4' energy: -121.669
flat angles P-C4'-P energy: -66.459
tors. eta vs tors. theta energy: -130.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1660.011532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.011532 (E_RNA)
where:
Base-Base interactions energy: -1141.550
where: short stacking energy: -503.626
Base-Backbone interact. energy: -1.789
local terms energy: -516.672891
where:
bonds (distance) C4'-P energy: -84.593
bonds (distance) P-C4' energy: -102.656
flat angles C4'-P-C4' energy: -123.498
flat angles P-C4'-P energy: -74.848
tors. eta vs tors. theta energy: -131.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1459.948945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.948945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.948945 (E_RNA)
where:
Base-Base interactions energy: -975.966
where: short stacking energy: -429.160
Base-Backbone interact. energy: 0.983
local terms energy: -484.965663
where:
bonds (distance) C4'-P energy: -97.202
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -107.364
flat angles P-C4'-P energy: -74.636
tors. eta vs tors. theta energy: -105.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1427.841841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.841841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.841841 (E_RNA)
where:
Base-Base interactions energy: -957.927
where: short stacking energy: -424.403
Base-Backbone interact. energy: -1.673
local terms energy: -468.241923
where:
bonds (distance) C4'-P energy: -97.183
bonds (distance) P-C4' energy: -99.095
flat angles C4'-P-C4' energy: -88.793
flat angles P-C4'-P energy: -76.280
tors. eta vs tors. theta energy: -106.890
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: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1236.067427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.067427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.067427 (E_RNA)
where:
Base-Base interactions energy: -790.198
where: short stacking energy: -351.493
Base-Backbone interact. energy: 0.939
local terms energy: -446.808648
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -108.521
flat angles C4'-P-C4' energy: -108.904
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -79.059
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: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -865.420803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.420803 (E_RNA)
where:
Base-Base interactions energy: -500.562
where: short stacking energy: -258.389
Base-Backbone interact. energy: 3.850
local terms energy: -368.709069
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -101.486
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -63.561
tors. eta vs tors. theta energy: -9.844
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: 400
Temperature: 1.350000
Total energy: -597.298567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.298567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.298567 (E_RNA)
where:
Base-Base interactions energy: -289.216
where: short stacking energy: -164.448
Base-Backbone interact. energy: 3.187
local terms energy: -311.268858
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -85.685
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2041.516912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.516912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.516912 (E_RNA)
where:
Base-Base interactions energy: -1408.745
where: short stacking energy: -568.743
Base-Backbone interact. energy: -4.277
local terms energy: -628.494382
where:
bonds (distance) C4'-P energy: -119.609
bonds (distance) P-C4' energy: -111.297
flat angles C4'-P-C4' energy: -142.565
flat angles P-C4'-P energy: -85.593
tors. eta vs tors. theta energy: -169.431
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2041.299724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.299724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.299724 (E_RNA)
where:
Base-Base interactions energy: -1429.828
where: short stacking energy: -555.061
Base-Backbone interact. energy: -5.305
local terms energy: -606.166603
where:
bonds (distance) C4'-P energy: -117.415
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -124.979
flat angles P-C4'-P energy: -85.295
tors. eta vs tors. theta energy: -156.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1877.405992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.405992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.405992 (E_RNA)
where:
Base-Base interactions energy: -1296.640
where: short stacking energy: -497.942
Base-Backbone interact. energy: -2.660
local terms energy: -578.106275
where:
bonds (distance) C4'-P energy: -120.079
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -126.229
flat angles P-C4'-P energy: -85.605
tors. eta vs tors. theta energy: -148.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1721.552315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.552315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.552315 (E_RNA)
where:
Base-Base interactions energy: -1186.019
where: short stacking energy: -459.846
Base-Backbone interact. energy: -4.323
local terms energy: -531.210792
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -108.600
flat angles C4'-P-C4' energy: -132.118
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -123.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1648.472820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.472820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.472820 (E_RNA)
where:
Base-Base interactions energy: -1104.607
where: short stacking energy: -511.196
Base-Backbone interact. energy: 0.394
local terms energy: -544.259958
where:
bonds (distance) C4'-P energy: -112.022
bonds (distance) P-C4' energy: -113.264
flat angles C4'-P-C4' energy: -106.372
flat angles P-C4'-P energy: -63.177
tors. eta vs tors. theta energy: -149.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1448.996885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.996885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.996885 (E_RNA)
where:
Base-Base interactions energy: -945.546
where: short stacking energy: -425.489
Base-Backbone interact. energy: -1.783
local terms energy: -501.668189
where:
bonds (distance) C4'-P energy: -109.907
bonds (distance) P-C4' energy: -84.444
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -66.915
tors. eta vs tors. theta energy: -118.698
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1429.693419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.693419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.693419 (E_RNA)
where:
Base-Base interactions energy: -964.805
where: short stacking energy: -440.866
Base-Backbone interact. energy: -2.321
local terms energy: -462.567144
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -96.073
flat angles C4'-P-C4' energy: -101.598
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -115.985
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1283.928051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.928051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.928051 (E_RNA)
where:
Base-Base interactions energy: -839.374
where: short stacking energy: -356.751
Base-Backbone interact. energy: -1.802
local terms energy: -442.751361
where:
bonds (distance) C4'-P energy: -110.683
bonds (distance) P-C4' energy: -106.384
flat angles C4'-P-C4' energy: -102.901
flat angles P-C4'-P energy: -58.275
tors. eta vs tors. theta energy: -64.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -878.679413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.679413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.679413 (E_RNA)
where:
Base-Base interactions energy: -524.301
where: short stacking energy: -258.143
Base-Backbone interact. energy: 4.427
local terms energy: -358.805882
where:
bonds (distance) C4'-P energy: -90.810
bonds (distance) P-C4' energy: -90.415
flat angles C4'-P-C4' energy: -89.162
flat angles P-C4'-P energy: -57.852
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -622.729225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.729225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.729225 (E_RNA)
where:
Base-Base interactions energy: -324.380
where: short stacking energy: -185.984
Base-Backbone interact. energy: 4.590
local terms energy: -302.939131
where:
bonds (distance) C4'-P energy: -79.777
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -86.451
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2083.082200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.082200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.082200 (E_RNA)
where:
Base-Base interactions energy: -1465.591
where: short stacking energy: -581.986
Base-Backbone interact. energy: -5.981
local terms energy: -611.510269
where:
bonds (distance) C4'-P energy: -119.562
bonds (distance) P-C4' energy: -118.152
flat angles C4'-P-C4' energy: -124.217
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -165.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1981.779492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.779492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.779492 (E_RNA)
where:
Base-Base interactions energy: -1341.865
where: short stacking energy: -552.752
Base-Backbone interact. energy: -2.765
local terms energy: -637.148881
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -139.218
flat angles P-C4'-P energy: -93.689
tors. eta vs tors. theta energy: -175.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1890.438340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.438340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.438340 (E_RNA)
where:
Base-Base interactions energy: -1305.211
where: short stacking energy: -536.028
Base-Backbone interact. energy: -5.434
local terms energy: -579.793596
where:
bonds (distance) C4'-P energy: -120.155
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -85.247
tors. eta vs tors. theta energy: -151.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1777.457678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.457678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.457678 (E_RNA)
where:
Base-Base interactions energy: -1246.019
where: short stacking energy: -516.933
Base-Backbone interact. energy: 2.498
local terms energy: -533.936040
where:
bonds (distance) C4'-P energy: -94.857
bonds (distance) P-C4' energy: -89.287
flat angles C4'-P-C4' energy: -133.077
flat angles P-C4'-P energy: -67.228
tors. eta vs tors. theta energy: -149.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1581.165510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.165510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.165510 (E_RNA)
where:
Base-Base interactions energy: -1052.198
where: short stacking energy: -466.863
Base-Backbone interact. energy: -0.801
local terms energy: -528.166631
where:
bonds (distance) C4'-P energy: -82.985
bonds (distance) P-C4' energy: -123.911
flat angles C4'-P-C4' energy: -113.915
flat angles P-C4'-P energy: -68.070
tors. eta vs tors. theta energy: -139.285
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: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1429.090981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.090981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.090981 (E_RNA)
where:
Base-Base interactions energy: -915.365
where: short stacking energy: -414.913
Base-Backbone interact. energy: -0.486
local terms energy: -513.239157
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -105.998
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -82.595
tors. eta vs tors. theta energy: -118.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1462.892387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.892387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.892387 (E_RNA)
where:
Base-Base interactions energy: -949.915
where: short stacking energy: -427.667
Base-Backbone interact. energy: -1.946
local terms energy: -511.030889
where:
bonds (distance) C4'-P energy: -97.777
bonds (distance) P-C4' energy: -117.312
flat angles C4'-P-C4' energy: -100.632
flat angles P-C4'-P energy: -79.630
tors. eta vs tors. theta energy: -115.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1278.750486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.750486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.750486 (E_RNA)
where:
Base-Base interactions energy: -816.960
where: short stacking energy: -360.375
Base-Backbone interact. energy: -1.955
local terms energy: -459.835770
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -107.719
flat angles C4'-P-C4' energy: -110.214
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -80.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -863.431323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.431323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.431323 (E_RNA)
where:
Base-Base interactions energy: -475.929
where: short stacking energy: -233.543
Base-Backbone interact. energy: 0.303
local terms energy: -387.806021
where:
bonds (distance) C4'-P energy: -93.130
bonds (distance) P-C4' energy: -106.131
flat angles C4'-P-C4' energy: -98.896
flat angles P-C4'-P energy: -65.897
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -581.265063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.265063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.265063 (E_RNA)
where:
Base-Base interactions energy: -284.847
where: short stacking energy: -154.704
Base-Backbone interact. energy: 0.155
local terms energy: -296.573419
where:
bonds (distance) C4'-P energy: -92.156
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -57.064
tors. eta vs tors. theta energy: 13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2117.338804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.338804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.338804 (E_RNA)
where:
Base-Base interactions energy: -1484.843
where: short stacking energy: -598.774
Base-Backbone interact. energy: -3.438
local terms energy: -629.057265
where:
bonds (distance) C4'-P energy: -121.868
bonds (distance) P-C4' energy: -119.335
flat angles C4'-P-C4' energy: -134.254
flat angles P-C4'-P energy: -84.211
tors. eta vs tors. theta energy: -169.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1974.333174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.333174 (E_RNA)
where:
Base-Base interactions energy: -1368.477
where: short stacking energy: -568.208
Base-Backbone interact. energy: -3.115
local terms energy: -602.741024
where:
bonds (distance) C4'-P energy: -102.644
bonds (distance) P-C4' energy: -108.401
flat angles C4'-P-C4' energy: -130.875
flat angles P-C4'-P energy: -92.151
tors. eta vs tors. theta energy: -168.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1906.063568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.063568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.063568 (E_RNA)
where:
Base-Base interactions energy: -1337.472
where: short stacking energy: -522.283
Base-Backbone interact. energy: -1.786
local terms energy: -566.805048
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -110.009
flat angles C4'-P-C4' energy: -111.919
flat angles P-C4'-P energy: -85.952
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: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1745.480580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.480580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.480580 (E_RNA)
where:
Base-Base interactions energy: -1203.970
where: short stacking energy: -500.031
Base-Backbone interact. energy: -0.933
local terms energy: -540.577750
where:
bonds (distance) C4'-P energy: -87.187
bonds (distance) P-C4' energy: -108.390
flat angles C4'-P-C4' energy: -114.486
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -147.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1687.179963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.179963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.179963 (E_RNA)
where:
Base-Base interactions energy: -1122.173
where: short stacking energy: -512.295
Base-Backbone interact. energy: -0.029
local terms energy: -564.977791
where:
bonds (distance) C4'-P energy: -104.509
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -127.407
flat angles P-C4'-P energy: -85.065
tors. eta vs tors. theta energy: -151.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1518.103176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.103176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.103176 (E_RNA)
where:
Base-Base interactions energy: -1006.913
where: short stacking energy: -458.650
Base-Backbone interact. energy: -0.796
local terms energy: -510.393426
where:
bonds (distance) C4'-P energy: -110.393
bonds (distance) P-C4' energy: -99.187
flat angles C4'-P-C4' energy: -107.730
flat angles P-C4'-P energy: -70.446
tors. eta vs tors. theta energy: -122.637
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: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1397.372343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.372343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.372343 (E_RNA)
where:
Base-Base interactions energy: -921.222
where: short stacking energy: -359.182
Base-Backbone interact. energy: -5.986
local terms energy: -470.164373
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -111.322
flat angles C4'-P-C4' energy: -112.987
flat angles P-C4'-P energy: -56.827
tors. eta vs tors. theta energy: -83.602
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1309.070259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.070259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.070259 (E_RNA)
where:
Base-Base interactions energy: -868.620
where: short stacking energy: -371.907
Base-Backbone interact. energy: -2.877
local terms energy: -437.573773
where:
bonds (distance) C4'-P energy: -108.586
bonds (distance) P-C4' energy: -110.487
flat angles C4'-P-C4' energy: -84.063
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -81.383
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: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -824.744907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.744907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.744907 (E_RNA)
where:
Base-Base interactions energy: -424.929
where: short stacking energy: -200.438
Base-Backbone interact. energy: 0.317
local terms energy: -400.132222
where:
bonds (distance) C4'-P energy: -110.494
bonds (distance) P-C4' energy: -101.931
flat angles C4'-P-C4' energy: -109.831
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -623.119154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.119154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.119154 (E_RNA)
where:
Base-Base interactions energy: -324.386
where: short stacking energy: -195.332
Base-Backbone interact. energy: 0.029
local terms energy: -298.762130
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -101.638
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -4.224
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2078.550824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.550824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.550824 (E_RNA)
where:
Base-Base interactions energy: -1458.306
where: short stacking energy: -607.831
Base-Backbone interact. energy: -1.570
local terms energy: -618.674827
where:
bonds (distance) C4'-P energy: -121.228
bonds (distance) P-C4' energy: -106.909
flat angles C4'-P-C4' energy: -135.341
flat angles P-C4'-P energy: -85.940
tors. eta vs tors. theta energy: -169.257
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: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1968.623520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.623520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.623520 (E_RNA)
where:
Base-Base interactions energy: -1352.462
where: short stacking energy: -570.200
Base-Backbone interact. energy: -4.736
local terms energy: -611.425937
where:
bonds (distance) C4'-P energy: -108.816
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -131.246
flat angles P-C4'-P energy: -90.673
tors. eta vs tors. theta energy: -166.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1905.081895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.081895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.081895 (E_RNA)
where:
Base-Base interactions energy: -1316.521
where: short stacking energy: -553.074
Base-Backbone interact. energy: -4.341
local terms energy: -584.219848
where:
bonds (distance) C4'-P energy: -111.606
bonds (distance) P-C4' energy: -122.286
flat angles C4'-P-C4' energy: -119.407
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -151.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1786.361977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.361977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.361977 (E_RNA)
where:
Base-Base interactions energy: -1239.385
where: short stacking energy: -501.789
Base-Backbone interact. energy: 2.229
local terms energy: -549.206156
where:
bonds (distance) C4'-P energy: -103.725
bonds (distance) P-C4' energy: -103.084
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -141.828
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: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1647.306369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.306369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.306369 (E_RNA)
where:
Base-Base interactions energy: -1104.727
where: short stacking energy: -486.327
Base-Backbone interact. energy: 1.076
local terms energy: -543.654782
where:
bonds (distance) C4'-P energy: -101.118
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -117.317
flat angles P-C4'-P energy: -87.892
tors. eta vs tors. theta energy: -133.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1472.363287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.363287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.363287 (E_RNA)
where:
Base-Base interactions energy: -978.081
where: short stacking energy: -451.177
Base-Backbone interact. energy: -3.167
local terms energy: -491.115368
where:
bonds (distance) C4'-P energy: -99.876
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -114.714
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -106.691
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: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1375.284980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.284980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.284980 (E_RNA)
where:
Base-Base interactions energy: -910.721
where: short stacking energy: -381.644
Base-Backbone interact. energy: 0.319
local terms energy: -464.883142
where:
bonds (distance) C4'-P energy: -98.624
bonds (distance) P-C4' energy: -105.442
flat angles C4'-P-C4' energy: -105.114
flat angles P-C4'-P energy: -68.874
tors. eta vs tors. theta energy: -86.829
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: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1262.342216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.342216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.342216 (E_RNA)
where:
Base-Base interactions energy: -854.568
where: short stacking energy: -358.273
Base-Backbone interact. energy: -1.383
local terms energy: -406.390632
where:
bonds (distance) C4'-P energy: -85.332
bonds (distance) P-C4' energy: -87.058
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: -72.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -817.910053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.910053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.910053 (E_RNA)
where:
Base-Base interactions energy: -467.901
where: short stacking energy: -207.846
Base-Backbone interact. energy: -2.296
local terms energy: -347.713597
where:
bonds (distance) C4'-P energy: -88.902
bonds (distance) P-C4' energy: -107.948
flat angles C4'-P-C4' energy: -98.956
flat angles P-C4'-P energy: -44.912
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -578.206959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.206959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.206959 (E_RNA)
where:
Base-Base interactions energy: -244.292
where: short stacking energy: -146.320
Base-Backbone interact. energy: 6.253
local terms energy: -340.167835
where:
bonds (distance) C4'-P energy: -103.995
bonds (distance) P-C4' energy: -98.473
flat angles C4'-P-C4' energy: -81.290
flat angles P-C4'-P energy: -52.598
tors. eta vs tors. theta energy: -3.812
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2088.531722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.531722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.531722 (E_RNA)
where:
Base-Base interactions energy: -1461.430
where: short stacking energy: -574.104
Base-Backbone interact. energy: 0.861
local terms energy: -627.963025
where:
bonds (distance) C4'-P energy: -113.176
bonds (distance) P-C4' energy: -130.190
flat angles C4'-P-C4' energy: -128.563
flat angles P-C4'-P energy: -88.943
tors. eta vs tors. theta energy: -167.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1964.464470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.464470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.464470 (E_RNA)
where:
Base-Base interactions energy: -1355.753
where: short stacking energy: -551.542
Base-Backbone interact. energy: 1.288
local terms energy: -609.999246
where:
bonds (distance) C4'-P energy: -119.064
bonds (distance) P-C4' energy: -111.433
flat angles C4'-P-C4' energy: -128.142
flat angles P-C4'-P energy: -88.888
tors. eta vs tors. theta energy: -162.472
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: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1871.158442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.158442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.158442 (E_RNA)
where:
Base-Base interactions energy: -1315.796
where: short stacking energy: -524.722
Base-Backbone interact. energy: -3.988
local terms energy: -551.375238
where:
bonds (distance) C4'-P energy: -97.247
bonds (distance) P-C4' energy: -112.723
flat angles C4'-P-C4' energy: -124.054
flat angles P-C4'-P energy: -71.584
tors. eta vs tors. theta energy: -145.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1728.467020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.467020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.467020 (E_RNA)
where:
Base-Base interactions energy: -1198.082
where: short stacking energy: -497.625
Base-Backbone interact. energy: -2.409
local terms energy: -527.975322
where:
bonds (distance) C4'-P energy: -94.535
bonds (distance) P-C4' energy: -113.034
flat angles C4'-P-C4' energy: -114.623
flat angles P-C4'-P energy: -75.772
tors. eta vs tors. theta energy: -130.012
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: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1631.790799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.790799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.790799 (E_RNA)
where:
Base-Base interactions energy: -1085.310
where: short stacking energy: -484.762
Base-Backbone interact. energy: -1.978
local terms energy: -544.502728
where:
bonds (distance) C4'-P energy: -88.195
bonds (distance) P-C4' energy: -117.828
flat angles C4'-P-C4' energy: -122.170
flat angles P-C4'-P energy: -70.363
tors. eta vs tors. theta energy: -145.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1489.376166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.376166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.376166 (E_RNA)
where:
Base-Base interactions energy: -1022.791
where: short stacking energy: -459.148
Base-Backbone interact. energy: -2.192
local terms energy: -464.393043
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -91.137
flat angles C4'-P-C4' energy: -114.202
flat angles P-C4'-P energy: -56.213
tors. eta vs tors. theta energy: -112.774
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: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1394.319686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.319686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.319686 (E_RNA)
where:
Base-Base interactions energy: -907.257
where: short stacking energy: -391.055
Base-Backbone interact. energy: -2.268
local terms energy: -484.794126
where:
bonds (distance) C4'-P energy: -100.150
bonds (distance) P-C4' energy: -94.579
flat angles C4'-P-C4' energy: -123.390
flat angles P-C4'-P energy: -74.029
tors. eta vs tors. theta energy: -92.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1299.632137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.632137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.632137 (E_RNA)
where:
Base-Base interactions energy: -855.552
where: short stacking energy: -374.317
Base-Backbone interact. energy: -0.617
local terms energy: -443.463398
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -113.603
flat angles C4'-P-C4' energy: -95.644
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -846.911763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.911763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.911763 (E_RNA)
where:
Base-Base interactions energy: -485.956
where: short stacking energy: -227.908
Base-Backbone interact. energy: 8.291
local terms energy: -369.247247
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -103.886
flat angles C4'-P-C4' energy: -94.844
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -679.458923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.458923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.458923 (E_RNA)
where:
Base-Base interactions energy: -345.313
where: short stacking energy: -203.200
Base-Backbone interact. energy: -0.185
local terms energy: -333.960933
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -91.485
flat angles C4'-P-C4' energy: -90.366
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2092.958179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.958179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.958179 (E_RNA)
where:
Base-Base interactions energy: -1477.611
where: short stacking energy: -577.025
Base-Backbone interact. energy: 0.827
local terms energy: -616.174470
where:
bonds (distance) C4'-P energy: -127.920
bonds (distance) P-C4' energy: -108.498
flat angles C4'-P-C4' energy: -127.004
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -162.686
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: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1964.052562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.052562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.052562 (E_RNA)
where:
Base-Base interactions energy: -1370.603
where: short stacking energy: -542.396
Base-Backbone interact. energy: -1.885
local terms energy: -591.565275
where:
bonds (distance) C4'-P energy: -114.173
bonds (distance) P-C4' energy: -114.496
flat angles C4'-P-C4' energy: -121.553
flat angles P-C4'-P energy: -82.313
tors. eta vs tors. theta energy: -159.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1918.465179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.465179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.465179 (E_RNA)
where:
Base-Base interactions energy: -1351.680
where: short stacking energy: -553.539
Base-Backbone interact. energy: 2.966
local terms energy: -569.751068
where:
bonds (distance) C4'-P energy: -101.665
bonds (distance) P-C4' energy: -99.913
flat angles C4'-P-C4' energy: -118.132
flat angles P-C4'-P energy: -92.764
tors. eta vs tors. theta energy: -157.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1730.392909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.392909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.392909 (E_RNA)
where:
Base-Base interactions energy: -1191.731
where: short stacking energy: -498.249
Base-Backbone interact. energy: -3.180
local terms energy: -535.482109
where:
bonds (distance) C4'-P energy: -97.590
bonds (distance) P-C4' energy: -113.267
flat angles C4'-P-C4' energy: -112.889
flat angles P-C4'-P energy: -87.524
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: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1668.424965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.424965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.424965 (E_RNA)
where:
Base-Base interactions energy: -1140.700
where: short stacking energy: -521.226
Base-Backbone interact. energy: 2.443
local terms energy: -530.168398
where:
bonds (distance) C4'-P energy: -112.596
bonds (distance) P-C4' energy: -97.620
flat angles C4'-P-C4' energy: -94.909
flat angles P-C4'-P energy: -78.489
tors. eta vs tors. theta energy: -146.555
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: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1473.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.714311 (E_RNA)
where:
Base-Base interactions energy: -988.713
where: short stacking energy: -427.725
Base-Backbone interact. energy: -3.379
local terms energy: -481.621938
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -103.622
flat angles C4'-P-C4' energy: -115.919
flat angles P-C4'-P energy: -74.854
tors. eta vs tors. theta energy: -110.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1378.473231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.473231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.473231 (E_RNA)
where:
Base-Base interactions energy: -923.183
where: short stacking energy: -405.822
Base-Backbone interact. energy: 0.768
local terms energy: -456.058167
where:
bonds (distance) C4'-P energy: -99.399
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -99.010
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -88.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1285.589052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.589052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.589052 (E_RNA)
where:
Base-Base interactions energy: -854.708
where: short stacking energy: -400.890
Base-Backbone interact. energy: 3.341
local terms energy: -434.221976
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -78.845
flat angles C4'-P-C4' energy: -84.340
flat angles P-C4'-P energy: -67.164
tors. eta vs tors. theta energy: -97.217
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: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -876.339817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.339817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.339817 (E_RNA)
where:
Base-Base interactions energy: -527.411
where: short stacking energy: -260.074
Base-Backbone interact. energy: 0.110
local terms energy: -349.038420
where:
bonds (distance) C4'-P energy: -83.213
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -100.406
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -668.717367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.717367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.717367 (E_RNA)
where:
Base-Base interactions energy: -355.686
where: short stacking energy: -187.125
Base-Backbone interact. energy: -1.614
local terms energy: -311.417388
where:
bonds (distance) C4'-P energy: -94.129
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -87.990
flat angles P-C4'-P energy: -58.848
tors. eta vs tors. theta energy: 9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2075.043045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.043045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.043045 (E_RNA)
where:
Base-Base interactions energy: -1464.383
where: short stacking energy: -592.161
Base-Backbone interact. energy: -0.566
local terms energy: -610.094015
where:
bonds (distance) C4'-P energy: -119.560
bonds (distance) P-C4' energy: -124.891
flat angles C4'-P-C4' energy: -126.100
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -166.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1970.425566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.425566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.425566 (E_RNA)
where:
Base-Base interactions energy: -1361.467
where: short stacking energy: -577.104
Base-Backbone interact. energy: -1.723
local terms energy: -607.235299
where:
bonds (distance) C4'-P energy: -106.349
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -134.139
flat angles P-C4'-P energy: -87.115
tors. eta vs tors. theta energy: -163.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1900.891410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.891410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.891410 (E_RNA)
where:
Base-Base interactions energy: -1322.684
where: short stacking energy: -536.775
Base-Backbone interact. energy: -1.533
local terms energy: -576.674299
where:
bonds (distance) C4'-P energy: -106.876
bonds (distance) P-C4' energy: -97.290
flat angles C4'-P-C4' energy: -128.789
flat angles P-C4'-P energy: -79.542
tors. eta vs tors. theta energy: -164.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1801.021086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.021086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.021086 (E_RNA)
where:
Base-Base interactions energy: -1241.479
where: short stacking energy: -501.926
Base-Backbone interact. energy: 0.545
local terms energy: -560.087183
where:
bonds (distance) C4'-P energy: -106.882
bonds (distance) P-C4' energy: -111.164
flat angles C4'-P-C4' energy: -121.756
flat angles P-C4'-P energy: -72.482
tors. eta vs tors. theta energy: -147.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1650.224041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.224041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.224041 (E_RNA)
where:
Base-Base interactions energy: -1104.409
where: short stacking energy: -502.975
Base-Backbone interact. energy: -1.499
local terms energy: -544.315982
where:
bonds (distance) C4'-P energy: -111.844
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -120.803
flat angles P-C4'-P energy: -78.080
tors. eta vs tors. theta energy: -135.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1526.050663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.050663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.050663 (E_RNA)
where:
Base-Base interactions energy: -1021.830
where: short stacking energy: -451.159
Base-Backbone interact. energy: 0.051
local terms energy: -504.271261
where:
bonds (distance) C4'-P energy: -99.761
bonds (distance) P-C4' energy: -105.415
flat angles C4'-P-C4' energy: -106.527
flat angles P-C4'-P energy: -80.192
tors. eta vs tors. theta energy: -112.376
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: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1310.609792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.609792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.609792 (E_RNA)
where:
Base-Base interactions energy: -867.527
where: short stacking energy: -378.441
Base-Backbone interact. energy: -0.979
local terms energy: -442.103646
where:
bonds (distance) C4'-P energy: -97.061
bonds (distance) P-C4' energy: -107.685
flat angles C4'-P-C4' energy: -103.250
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -77.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1214.877198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.877198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.877198 (E_RNA)
where:
Base-Base interactions energy: -780.825
where: short stacking energy: -328.706
Base-Backbone interact. energy: -1.807
local terms energy: -432.245926
where:
bonds (distance) C4'-P energy: -94.953
bonds (distance) P-C4' energy: -78.099
flat angles C4'-P-C4' energy: -106.881
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -78.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -838.505782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.505782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.505782 (E_RNA)
where:
Base-Base interactions energy: -483.097
where: short stacking energy: -241.347
Base-Backbone interact. energy: 7.621
local terms energy: -363.029771
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -104.601
flat angles C4'-P-C4' energy: -66.687
flat angles P-C4'-P energy: -47.832
tors. eta vs tors. theta energy: -34.252
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: 407
Temperature: 1.350000
Total energy: -697.552253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.552253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.552253 (E_RNA)
where:
Base-Base interactions energy: -389.536
where: short stacking energy: -231.182
Base-Backbone interact. energy: 2.014
local terms energy: -310.030174
where:
bonds (distance) C4'-P energy: -71.801
bonds (distance) P-C4' energy: -106.081
flat angles C4'-P-C4' energy: -85.141
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2071.238647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.238647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.238647 (E_RNA)
where:
Base-Base interactions energy: -1464.140
where: short stacking energy: -580.844
Base-Backbone interact. energy: -7.230
local terms energy: -599.868953
where:
bonds (distance) C4'-P energy: -105.586
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -128.647
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -159.968
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1954.215340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.215340 (E_RNA)
where:
Base-Base interactions energy: -1327.417
where: short stacking energy: -558.631
Base-Backbone interact. energy: -3.045
local terms energy: -623.752575
where:
bonds (distance) C4'-P energy: -111.949
bonds (distance) P-C4' energy: -122.871
flat angles C4'-P-C4' energy: -141.217
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: -163.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1867.483913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.483913 (E_RNA)
where:
Base-Base interactions energy: -1295.580
where: short stacking energy: -526.578
Base-Backbone interact. energy: 0.595
local terms energy: -572.498912
where:
bonds (distance) C4'-P energy: -107.115
bonds (distance) P-C4' energy: -110.631
flat angles C4'-P-C4' energy: -127.123
flat angles P-C4'-P energy: -80.186
tors. eta vs tors. theta energy: -147.444
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: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1747.868581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.868581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.868581 (E_RNA)
where:
Base-Base interactions energy: -1161.459
where: short stacking energy: -476.076
Base-Backbone interact. energy: -4.428
local terms energy: -581.982019
where:
bonds (distance) C4'-P energy: -118.355
bonds (distance) P-C4' energy: -121.510
flat angles C4'-P-C4' energy: -120.523
flat angles P-C4'-P energy: -71.552
tors. eta vs tors. theta energy: -150.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1598.892422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.892422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.892422 (E_RNA)
where:
Base-Base interactions energy: -1056.014
where: short stacking energy: -480.691
Base-Backbone interact. energy: 0.329
local terms energy: -543.207844
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -101.857
flat angles C4'-P-C4' energy: -123.660
flat angles P-C4'-P energy: -79.651
tors. eta vs tors. theta energy: -139.214
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: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1505.104277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.104277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.104277 (E_RNA)
where:
Base-Base interactions energy: -995.821
where: short stacking energy: -423.703
Base-Backbone interact. energy: -0.387
local terms energy: -508.897010
where:
bonds (distance) C4'-P energy: -92.936
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -123.931
flat angles P-C4'-P energy: -78.506
tors. eta vs tors. theta energy: -110.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1346.609565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.609565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.609565 (E_RNA)
where:
Base-Base interactions energy: -886.275
where: short stacking energy: -385.795
Base-Backbone interact. energy: -2.690
local terms energy: -457.644693
where:
bonds (distance) C4'-P energy: -98.953
bonds (distance) P-C4' energy: -103.685
flat angles C4'-P-C4' energy: -103.387
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -87.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1240.360028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.360028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.360028 (E_RNA)
where:
Base-Base interactions energy: -848.396
where: short stacking energy: -350.826
Base-Backbone interact. energy: -1.810
local terms energy: -390.154708
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -86.700
flat angles C4'-P-C4' energy: -98.327
flat angles P-C4'-P energy: -58.012
tors. eta vs tors. theta energy: -78.721
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -829.682457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.682457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.682457 (E_RNA)
where:
Base-Base interactions energy: -451.535
where: short stacking energy: -222.367
Base-Backbone interact. energy: -1.323
local terms energy: -376.824056
where:
bonds (distance) C4'-P energy: -80.605
bonds (distance) P-C4' energy: -104.530
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -67.984
tors. eta vs tors. theta energy: -24.153
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: 408
Temperature: 1.350000
Total energy: -684.440691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.440691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.440691 (E_RNA)
where:
Base-Base interactions energy: -363.196
where: short stacking energy: -203.927
Base-Backbone interact. energy: 4.857
local terms energy: -326.101559
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -94.460
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -61.681
tors. eta vs tors. theta energy: -4.825
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: 409
Temperature: 0.900000
Total energy: -2074.783996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.783996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.783996 (E_RNA)
where:
Base-Base interactions energy: -1446.734
where: short stacking energy: -576.071
Base-Backbone interact. energy: -4.089
local terms energy: -623.961747
where:
bonds (distance) C4'-P energy: -119.278
bonds (distance) P-C4' energy: -122.508
flat angles C4'-P-C4' energy: -135.886
flat angles P-C4'-P energy: -90.208
tors. eta vs tors. theta energy: -156.082
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: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1910.764288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.764288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.764288 (E_RNA)
where:
Base-Base interactions energy: -1318.119
where: short stacking energy: -519.726
Base-Backbone interact. energy: 2.870
local terms energy: -595.514398
where:
bonds (distance) C4'-P energy: -105.432
bonds (distance) P-C4' energy: -123.947
flat angles C4'-P-C4' energy: -129.058
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -143.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1878.631495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.631495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.631495 (E_RNA)
where:
Base-Base interactions energy: -1293.971
where: short stacking energy: -533.227
Base-Backbone interact. energy: 3.263
local terms energy: -587.922551
where:
bonds (distance) C4'-P energy: -110.440
bonds (distance) P-C4' energy: -107.598
flat angles C4'-P-C4' energy: -128.630
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -151.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1754.783349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.783349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.783349 (E_RNA)
where:
Base-Base interactions energy: -1227.729
where: short stacking energy: -497.087
Base-Backbone interact. energy: -2.572
local terms energy: -524.482526
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -111.747
flat angles P-C4'-P energy: -79.298
tors. eta vs tors. theta energy: -134.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1651.201185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.201185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.201185 (E_RNA)
where:
Base-Base interactions energy: -1131.811
where: short stacking energy: -520.752
Base-Backbone interact. energy: -1.245
local terms energy: -518.145824
where:
bonds (distance) C4'-P energy: -112.381
bonds (distance) P-C4' energy: -95.755
flat angles C4'-P-C4' energy: -115.460
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -138.868
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1504.018532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.018532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.018532 (E_RNA)
where:
Base-Base interactions energy: -989.114
where: short stacking energy: -421.718
Base-Backbone interact. energy: -1.350
local terms energy: -513.554264
where:
bonds (distance) C4'-P energy: -101.007
bonds (distance) P-C4' energy: -104.799
flat angles C4'-P-C4' energy: -115.035
flat angles P-C4'-P energy: -68.864
tors. eta vs tors. theta energy: -123.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1329.826864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.826864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.826864 (E_RNA)
where:
Base-Base interactions energy: -869.267
where: short stacking energy: -384.893
Base-Backbone interact. energy: 8.714
local terms energy: -469.273969
where:
bonds (distance) C4'-P energy: -115.591
bonds (distance) P-C4' energy: -107.099
flat angles C4'-P-C4' energy: -99.442
flat angles P-C4'-P energy: -64.663
tors. eta vs tors. theta energy: -82.479
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: 409
Temperature: 1.250000
Total energy: -1246.061251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.061251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.061251 (E_RNA)
where:
Base-Base interactions energy: -828.052
where: short stacking energy: -349.080
Base-Backbone interact. energy: -2.365
local terms energy: -415.644476
where:
bonds (distance) C4'-P energy: -80.105
bonds (distance) P-C4' energy: -108.335
flat angles C4'-P-C4' energy: -99.390
flat angles P-C4'-P energy: -53.601
tors. eta vs tors. theta energy: -74.213
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: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -871.262343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.262343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.262343 (E_RNA)
where:
Base-Base interactions energy: -493.148
where: short stacking energy: -226.047
Base-Backbone interact. energy: 0.248
local terms energy: -378.362563
where:
bonds (distance) C4'-P energy: -88.994
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -104.214
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -616.877909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.877909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.877909 (E_RNA)
where:
Base-Base interactions energy: -295.660
where: short stacking energy: -170.887
Base-Backbone interact. energy: 1.654
local terms energy: -322.872005
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -90.389
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: 7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2065.598492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.598492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.598492 (E_RNA)
where:
Base-Base interactions energy: -1443.183
where: short stacking energy: -570.964
Base-Backbone interact. energy: -3.712
local terms energy: -618.703686
where:
bonds (distance) C4'-P energy: -118.571
bonds (distance) P-C4' energy: -117.686
flat angles C4'-P-C4' energy: -130.445
flat angles P-C4'-P energy: -90.336
tors. eta vs tors. theta energy: -161.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1958.390478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.390478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.390478 (E_RNA)
where:
Base-Base interactions energy: -1364.479
where: short stacking energy: -560.194
Base-Backbone interact. energy: 7.314
local terms energy: -601.226228
where:
bonds (distance) C4'-P energy: -120.536
bonds (distance) P-C4' energy: -116.830
flat angles C4'-P-C4' energy: -128.821
flat angles P-C4'-P energy: -71.442
tors. eta vs tors. theta energy: -163.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1877.609458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.609458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.609458 (E_RNA)
where:
Base-Base interactions energy: -1309.287
where: short stacking energy: -504.903
Base-Backbone interact. energy: -0.194
local terms energy: -568.128888
where:
bonds (distance) C4'-P energy: -100.988
bonds (distance) P-C4' energy: -116.115
flat angles C4'-P-C4' energy: -122.706
flat angles P-C4'-P energy: -86.820
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1722.576183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.576183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.576183 (E_RNA)
where:
Base-Base interactions energy: -1153.643
where: short stacking energy: -466.997
Base-Backbone interact. energy: -2.853
local terms energy: -566.080270
where:
bonds (distance) C4'-P energy: -97.695
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -119.281
flat angles P-C4'-P energy: -96.545
tors. eta vs tors. theta energy: -133.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1654.977079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.977079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.977079 (E_RNA)
where:
Base-Base interactions energy: -1118.748
where: short stacking energy: -487.879
Base-Backbone interact. energy: 0.344
local terms energy: -536.573456
where:
bonds (distance) C4'-P energy: -104.745
bonds (distance) P-C4' energy: -117.314
flat angles C4'-P-C4' energy: -115.931
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -128.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1509.419339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.419339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.419339 (E_RNA)
where:
Base-Base interactions energy: -1001.947
where: short stacking energy: -443.889
Base-Backbone interact. energy: 1.747
local terms energy: -509.219602
where:
bonds (distance) C4'-P energy: -106.631
bonds (distance) P-C4' energy: -110.335
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -65.086
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: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1300.657442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.657442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.657442 (E_RNA)
where:
Base-Base interactions energy: -843.247
where: short stacking energy: -376.207
Base-Backbone interact. energy: -1.034
local terms energy: -456.376733
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -93.470
flat angles C4'-P-C4' energy: -116.350
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -89.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1213.434348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.434348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.434348 (E_RNA)
where:
Base-Base interactions energy: -805.617
where: short stacking energy: -364.771
Base-Backbone interact. energy: 5.746
local terms energy: -413.563558
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -90.662
flat angles C4'-P-C4' energy: -102.024
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -81.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -929.762967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.762967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.762967 (E_RNA)
where:
Base-Base interactions energy: -566.943
where: short stacking energy: -279.577
Base-Backbone interact. energy: -4.192
local terms energy: -358.627183
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -91.859
flat angles C4'-P-C4' energy: -95.817
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -35.940
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: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -594.698801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.698801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.698801 (E_RNA)
where:
Base-Base interactions energy: -300.304
where: short stacking energy: -166.033
Base-Backbone interact. energy: 2.732
local terms energy: -297.126896
where:
bonds (distance) C4'-P energy: -81.195
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -65.625
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: 16.783
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: 411
Temperature: 0.900000
Total energy: -2070.756494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.756494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.756494 (E_RNA)
where:
Base-Base interactions energy: -1467.236
where: short stacking energy: -575.283
Base-Backbone interact. energy: -6.678
local terms energy: -596.842902
where:
bonds (distance) C4'-P energy: -111.421
bonds (distance) P-C4' energy: -110.495
flat angles C4'-P-C4' energy: -138.014
flat angles P-C4'-P energy: -79.792
tors. eta vs tors. theta energy: -157.120
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: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1955.572539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.572539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.572539 (E_RNA)
where:
Base-Base interactions energy: -1329.737
where: short stacking energy: -554.800
Base-Backbone interact. energy: 0.603
local terms energy: -626.438501
where:
bonds (distance) C4'-P energy: -116.966
bonds (distance) P-C4' energy: -116.492
flat angles C4'-P-C4' energy: -134.082
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -166.725
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: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1898.069430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.069430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.069430 (E_RNA)
where:
Base-Base interactions energy: -1342.864
where: short stacking energy: -503.475
Base-Backbone interact. energy: -2.663
local terms energy: -552.542502
where:
bonds (distance) C4'-P energy: -105.250
bonds (distance) P-C4' energy: -103.143
flat angles C4'-P-C4' energy: -118.549
flat angles P-C4'-P energy: -80.282
tors. eta vs tors. theta energy: -145.318
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: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1726.180644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.180644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.180644 (E_RNA)
where:
Base-Base interactions energy: -1157.979
where: short stacking energy: -524.914
Base-Backbone interact. energy: -1.937
local terms energy: -566.264789
where:
bonds (distance) C4'-P energy: -115.446
bonds (distance) P-C4' energy: -88.060
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -96.141
tors. eta vs tors. theta energy: -140.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1714.050125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.050125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.050125 (E_RNA)
where:
Base-Base interactions energy: -1173.748
where: short stacking energy: -476.674
Base-Backbone interact. energy: -2.561
local terms energy: -537.741195
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -122.358
flat angles C4'-P-C4' energy: -110.069
flat angles P-C4'-P energy: -73.536
tors. eta vs tors. theta energy: -127.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1498.022312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.022312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.022312 (E_RNA)
where:
Base-Base interactions energy: -1000.969
where: short stacking energy: -460.956
Base-Backbone interact. energy: -3.627
local terms energy: -493.426463
where:
bonds (distance) C4'-P energy: -97.060
bonds (distance) P-C4' energy: -110.686
flat angles C4'-P-C4' energy: -102.005
flat angles P-C4'-P energy: -69.723
tors. eta vs tors. theta energy: -113.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1326.581413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.581413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.581413 (E_RNA)
where:
Base-Base interactions energy: -890.245
where: short stacking energy: -392.523
Base-Backbone interact. energy: -3.252
local terms energy: -433.084851
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -106.234
flat angles C4'-P-C4' energy: -98.254
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -87.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1179.010602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.010602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.010602 (E_RNA)
where:
Base-Base interactions energy: -736.684
where: short stacking energy: -318.438
Base-Backbone interact. energy: -1.593
local terms energy: -440.733627
where:
bonds (distance) C4'-P energy: -103.533
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -104.284
flat angles P-C4'-P energy: -71.043
tors. eta vs tors. theta energy: -60.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -883.515413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.515413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.515413 (E_RNA)
where:
Base-Base interactions energy: -518.660
where: short stacking energy: -233.960
Base-Backbone interact. energy: -2.659
local terms energy: -362.196377
where:
bonds (distance) C4'-P energy: -87.216
bonds (distance) P-C4' energy: -104.167
flat angles C4'-P-C4' energy: -91.643
flat angles P-C4'-P energy: -62.947
tors. eta vs tors. theta energy: -16.224
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: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -614.079715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.079715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.079715 (E_RNA)
where:
Base-Base interactions energy: -281.450
where: short stacking energy: -158.812
Base-Backbone interact. energy: 1.575
local terms energy: -334.205551
where:
bonds (distance) C4'-P energy: -92.776
bonds (distance) P-C4' energy: -107.412
flat angles C4'-P-C4' energy: -90.066
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2061.939729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.939729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.939729 (E_RNA)
where:
Base-Base interactions energy: -1450.964
where: short stacking energy: -573.251
Base-Backbone interact. energy: -3.579
local terms energy: -607.397336
where:
bonds (distance) C4'-P energy: -112.199
bonds (distance) P-C4' energy: -113.922
flat angles C4'-P-C4' energy: -125.951
flat angles P-C4'-P energy: -95.251
tors. eta vs tors. theta energy: -160.074
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1972.071610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.071610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.071610 (E_RNA)
where:
Base-Base interactions energy: -1365.744
where: short stacking energy: -559.131
Base-Backbone interact. energy: 1.681
local terms energy: -608.008457
where:
bonds (distance) C4'-P energy: -110.863
bonds (distance) P-C4' energy: -111.593
flat angles C4'-P-C4' energy: -126.481
flat angles P-C4'-P energy: -95.988
tors. eta vs tors. theta energy: -163.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1863.081406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.081406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.081406 (E_RNA)
where:
Base-Base interactions energy: -1299.630
where: short stacking energy: -519.513
Base-Backbone interact. energy: 0.570
local terms energy: -564.021655
where:
bonds (distance) C4'-P energy: -112.581
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -126.978
flat angles P-C4'-P energy: -87.442
tors. eta vs tors. theta energy: -135.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1668.903155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.903155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.903155 (E_RNA)
where:
Base-Base interactions energy: -1134.960
where: short stacking energy: -519.098
Base-Backbone interact. energy: 0.814
local terms energy: -534.756489
where:
bonds (distance) C4'-P energy: -103.387
bonds (distance) P-C4' energy: -110.902
flat angles C4'-P-C4' energy: -113.338
flat angles P-C4'-P energy: -62.067
tors. eta vs tors. theta energy: -145.063
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: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1717.885100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.885100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.885100 (E_RNA)
where:
Base-Base interactions energy: -1190.471
where: short stacking energy: -494.740
Base-Backbone interact. energy: -3.394
local terms energy: -524.019947
where:
bonds (distance) C4'-P energy: -99.093
bonds (distance) P-C4' energy: -96.183
flat angles C4'-P-C4' energy: -108.297
flat angles P-C4'-P energy: -75.120
tors. eta vs tors. theta energy: -145.328
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1476.988858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.988858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.988858 (E_RNA)
where:
Base-Base interactions energy: -966.203
where: short stacking energy: -451.339
Base-Backbone interact. energy: -1.984
local terms energy: -508.801550
where:
bonds (distance) C4'-P energy: -98.156
bonds (distance) P-C4' energy: -110.757
flat angles C4'-P-C4' energy: -105.466
flat angles P-C4'-P energy: -75.165
tors. eta vs tors. theta energy: -119.257
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: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1355.599819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.599819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.599819 (E_RNA)
where:
Base-Base interactions energy: -915.992
where: short stacking energy: -397.878
Base-Backbone interact. energy: 0.630
local terms energy: -440.237366
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -104.424
flat angles C4'-P-C4' energy: -100.440
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -78.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1185.620305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.620305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.620305 (E_RNA)
where:
Base-Base interactions energy: -755.037
where: short stacking energy: -326.922
Base-Backbone interact. energy: -2.670
local terms energy: -427.912569
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -109.609
flat angles C4'-P-C4' energy: -99.574
flat angles P-C4'-P energy: -59.231
tors. eta vs tors. theta energy: -60.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -865.029246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.029246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.029246 (E_RNA)
where:
Base-Base interactions energy: -545.057
where: short stacking energy: -259.839
Base-Backbone interact. energy: -2.465
local terms energy: -317.507748
where:
bonds (distance) C4'-P energy: -79.126
bonds (distance) P-C4' energy: -95.150
flat angles C4'-P-C4' energy: -71.693
flat angles P-C4'-P energy: -47.029
tors. eta vs tors. theta energy: -24.509
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -619.251623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.251623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.251623 (E_RNA)
where:
Base-Base interactions energy: -318.421
where: short stacking energy: -194.180
Base-Backbone interact. energy: 5.607
local terms energy: -306.437531
where:
bonds (distance) C4'-P energy: -108.381
bonds (distance) P-C4' energy: -96.568
flat angles C4'-P-C4' energy: -82.693
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: 13.832
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: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2074.455414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.455414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.455414 (E_RNA)
where:
Base-Base interactions energy: -1458.583
where: short stacking energy: -608.900
Base-Backbone interact. energy: -4.240
local terms energy: -611.632706
where:
bonds (distance) C4'-P energy: -117.049
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -131.970
flat angles P-C4'-P energy: -83.499
tors. eta vs tors. theta energy: -173.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1927.589219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.589219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.589219 (E_RNA)
where:
Base-Base interactions energy: -1350.289
where: short stacking energy: -549.670
Base-Backbone interact. energy: -2.879
local terms energy: -574.421533
where:
bonds (distance) C4'-P energy: -108.049
bonds (distance) P-C4' energy: -117.163
flat angles C4'-P-C4' energy: -123.904
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -151.722
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: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1867.848185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.848185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.848185 (E_RNA)
where:
Base-Base interactions energy: -1287.747
where: short stacking energy: -530.015
Base-Backbone interact. energy: -1.415
local terms energy: -578.686118
where:
bonds (distance) C4'-P energy: -107.213
bonds (distance) P-C4' energy: -106.797
flat angles C4'-P-C4' energy: -130.200
flat angles P-C4'-P energy: -87.074
tors. eta vs tors. theta energy: -147.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1755.047909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.047909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.047909 (E_RNA)
where:
Base-Base interactions energy: -1215.460
where: short stacking energy: -532.113
Base-Backbone interact. energy: 0.405
local terms energy: -539.992371
where:
bonds (distance) C4'-P energy: -97.879
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -123.183
flat angles P-C4'-P energy: -73.660
tors. eta vs tors. theta energy: -125.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1651.569395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.569395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.569395 (E_RNA)
where:
Base-Base interactions energy: -1104.122
where: short stacking energy: -501.747
Base-Backbone interact. energy: -0.979
local terms energy: -546.468472
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -99.540
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -78.055
tors. eta vs tors. theta energy: -151.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1498.943046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.943046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.943046 (E_RNA)
where:
Base-Base interactions energy: -991.022
where: short stacking energy: -438.842
Base-Backbone interact. energy: -3.078
local terms energy: -504.843300
where:
bonds (distance) C4'-P energy: -103.895
bonds (distance) P-C4' energy: -104.448
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -83.499
tors. eta vs tors. theta energy: -119.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1313.483858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.483858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.483858 (E_RNA)
where:
Base-Base interactions energy: -862.783
where: short stacking energy: -408.639
Base-Backbone interact. energy: -3.065
local terms energy: -447.635694
where:
bonds (distance) C4'-P energy: -103.654
bonds (distance) P-C4' energy: -94.315
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -90.091
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: 413
Temperature: 1.250000
Total energy: -1223.236545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.236545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.236545 (E_RNA)
where:
Base-Base interactions energy: -776.544
where: short stacking energy: -321.516
Base-Backbone interact. energy: 0.311
local terms energy: -447.004294
where:
bonds (distance) C4'-P energy: -95.037
bonds (distance) P-C4' energy: -94.223
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -74.134
tors. eta vs tors. theta energy: -73.833
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -854.239523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.239523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.239523 (E_RNA)
where:
Base-Base interactions energy: -502.128
where: short stacking energy: -232.452
Base-Backbone interact. energy: 2.917
local terms energy: -355.028857
where:
bonds (distance) C4'-P energy: -101.377
bonds (distance) P-C4' energy: -88.979
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -51.433
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -597.217302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.217302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.217302 (E_RNA)
where:
Base-Base interactions energy: -273.483
where: short stacking energy: -167.905
Base-Backbone interact. energy: 3.508
local terms energy: -327.241802
where:
bonds (distance) C4'-P energy: -103.383
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: 7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2068.608613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.608613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.608613 (E_RNA)
where:
Base-Base interactions energy: -1436.597
where: short stacking energy: -555.989
Base-Backbone interact. energy: -4.241
local terms energy: -627.770389
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -119.478
flat angles C4'-P-C4' energy: -139.658
flat angles P-C4'-P energy: -94.925
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: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1950.266811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.266811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.266811 (E_RNA)
where:
Base-Base interactions energy: -1339.459
where: short stacking energy: -560.985
Base-Backbone interact. energy: -0.792
local terms energy: -610.016011
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -105.422
flat angles C4'-P-C4' energy: -131.695
flat angles P-C4'-P energy: -88.768
tors. eta vs tors. theta energy: -170.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1875.669865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.669865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.669865 (E_RNA)
where:
Base-Base interactions energy: -1302.803
where: short stacking energy: -532.846
Base-Backbone interact. energy: -3.012
local terms energy: -569.854118
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -123.603
flat angles P-C4'-P energy: -86.473
tors. eta vs tors. theta energy: -154.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1779.891739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.891739 (E_RNA)
where:
Base-Base interactions energy: -1210.516
where: short stacking energy: -493.795
Base-Backbone interact. energy: -3.739
local terms energy: -565.636741
where:
bonds (distance) C4'-P energy: -118.129
bonds (distance) P-C4' energy: -115.745
flat angles C4'-P-C4' energy: -124.823
flat angles P-C4'-P energy: -72.398
tors. eta vs tors. theta energy: -134.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1576.304311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.304311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.304311 (E_RNA)
where:
Base-Base interactions energy: -1053.546
where: short stacking energy: -467.354
Base-Backbone interact. energy: -0.652
local terms energy: -522.106437
where:
bonds (distance) C4'-P energy: -103.302
bonds (distance) P-C4' energy: -102.651
flat angles C4'-P-C4' energy: -121.180
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -140.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1497.510905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.510905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.510905 (E_RNA)
where:
Base-Base interactions energy: -1002.537
where: short stacking energy: -437.571
Base-Backbone interact. energy: -2.167
local terms energy: -492.807311
where:
bonds (distance) C4'-P energy: -97.082
bonds (distance) P-C4' energy: -90.032
flat angles C4'-P-C4' energy: -113.726
flat angles P-C4'-P energy: -72.261
tors. eta vs tors. theta energy: -119.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1342.374489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.374489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.374489 (E_RNA)
where:
Base-Base interactions energy: -844.126
where: short stacking energy: -369.100
Base-Backbone interact. energy: -2.362
local terms energy: -495.886336
where:
bonds (distance) C4'-P energy: -94.353
bonds (distance) P-C4' energy: -116.924
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -67.674
tors. eta vs tors. theta energy: -100.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1252.124460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.124460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.124460 (E_RNA)
where:
Base-Base interactions energy: -799.969
where: short stacking energy: -349.096
Base-Backbone interact. energy: 0.939
local terms energy: -453.094188
where:
bonds (distance) C4'-P energy: -108.283
bonds (distance) P-C4' energy: -112.501
flat angles C4'-P-C4' energy: -93.408
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -75.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -870.535088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.535088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.535088 (E_RNA)
where:
Base-Base interactions energy: -521.566
where: short stacking energy: -239.432
Base-Backbone interact. energy: 1.125
local terms energy: -350.094547
where:
bonds (distance) C4'-P energy: -90.418
bonds (distance) P-C4' energy: -100.159
flat angles C4'-P-C4' energy: -76.759
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: -37.255
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: 414
Temperature: 1.350000
Total energy: -558.468988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.468988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.468988 (E_RNA)
where:
Base-Base interactions energy: -257.973
where: short stacking energy: -166.800
Base-Backbone interact. energy: 1.213
local terms energy: -301.708667
where:
bonds (distance) C4'-P energy: -89.853
bonds (distance) P-C4' energy: -85.741
flat angles C4'-P-C4' energy: -84.350
flat angles P-C4'-P energy: -52.672
tors. eta vs tors. theta energy: 10.907
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: 415
Temperature: 0.900000
Total energy: -2090.664218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.664218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.664218 (E_RNA)
where:
Base-Base interactions energy: -1467.658
where: short stacking energy: -581.401
Base-Backbone interact. energy: -2.213
local terms energy: -620.792891
where:
bonds (distance) C4'-P energy: -112.589
bonds (distance) P-C4' energy: -118.581
flat angles C4'-P-C4' energy: -128.670
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -170.341
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1961.455648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.455648 (E_RNA)
where:
Base-Base interactions energy: -1358.358
where: short stacking energy: -544.447
Base-Backbone interact. energy: -3.790
local terms energy: -599.307884
where:
bonds (distance) C4'-P energy: -104.070
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -128.434
flat angles P-C4'-P energy: -96.358
tors. eta vs tors. theta energy: -164.159
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: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1906.925702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.925702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.925702 (E_RNA)
where:
Base-Base interactions energy: -1324.688
where: short stacking energy: -537.371
Base-Backbone interact. energy: -0.536
local terms energy: -581.701847
where:
bonds (distance) C4'-P energy: -118.524
bonds (distance) P-C4' energy: -111.408
flat angles C4'-P-C4' energy: -121.557
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -150.995
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: 415
Temperature: 1.050000
Total energy: -1759.807787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.807787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.807787 (E_RNA)
where:
Base-Base interactions energy: -1199.369
where: short stacking energy: -495.689
Base-Backbone interact. energy: -4.971
local terms energy: -555.468117
where:
bonds (distance) C4'-P energy: -104.493
bonds (distance) P-C4' energy: -109.236
flat angles C4'-P-C4' energy: -122.560
flat angles P-C4'-P energy: -79.690
tors. eta vs tors. theta energy: -139.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1581.312577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.312577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.312577 (E_RNA)
where:
Base-Base interactions energy: -1049.275
where: short stacking energy: -478.712
Base-Backbone interact. energy: -0.083
local terms energy: -531.954331
where:
bonds (distance) C4'-P energy: -102.566
bonds (distance) P-C4' energy: -104.702
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -76.250
tors. eta vs tors. theta energy: -133.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1511.228412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.228412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.228412 (E_RNA)
where:
Base-Base interactions energy: -992.878
where: short stacking energy: -461.403
Base-Backbone interact. energy: 1.570
local terms energy: -519.921014
where:
bonds (distance) C4'-P energy: -111.640
bonds (distance) P-C4' energy: -89.312
flat angles C4'-P-C4' energy: -120.375
flat angles P-C4'-P energy: -72.202
tors. eta vs tors. theta energy: -126.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1339.925752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.925752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.925752 (E_RNA)
where:
Base-Base interactions energy: -916.467
where: short stacking energy: -399.577
Base-Backbone interact. energy: 3.372
local terms energy: -426.830812
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -101.451
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -84.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1182.679406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.679406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.679406 (E_RNA)
where:
Base-Base interactions energy: -779.922
where: short stacking energy: -323.074
Base-Backbone interact. energy: 1.146
local terms energy: -403.903778
where:
bonds (distance) C4'-P energy: -103.462
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -90.568
flat angles P-C4'-P energy: -53.091
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: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -918.720760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.720760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.720760 (E_RNA)
where:
Base-Base interactions energy: -519.806
where: short stacking energy: -260.105
Base-Backbone interact. energy: -0.270
local terms energy: -398.644836
where:
bonds (distance) C4'-P energy: -102.233
bonds (distance) P-C4' energy: -105.772
flat angles C4'-P-C4' energy: -105.151
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -34.221
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: 415
Temperature: 1.350000
Total energy: -607.226547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.226547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.226547 (E_RNA)
where:
Base-Base interactions energy: -315.015
where: short stacking energy: -161.281
Base-Backbone interact. energy: 0.255
local terms energy: -292.466981
where:
bonds (distance) C4'-P energy: -97.914
bonds (distance) P-C4' energy: -107.123
flat angles C4'-P-C4' energy: -70.626
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: 13.357
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: 416
Temperature: 0.900000
Total energy: -2085.862073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.862073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.862073 (E_RNA)
where:
Base-Base interactions energy: -1472.142
where: short stacking energy: -599.743
Base-Backbone interact. energy: -6.166
local terms energy: -607.553764
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -107.870
flat angles C4'-P-C4' energy: -124.256
flat angles P-C4'-P energy: -88.981
tors. eta vs tors. theta energy: -164.928
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: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1990.631364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.631364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.631364 (E_RNA)
where:
Base-Base interactions energy: -1365.921
where: short stacking energy: -560.812
Base-Backbone interact. energy: -4.221
local terms energy: -620.489634
where:
bonds (distance) C4'-P energy: -115.736
bonds (distance) P-C4' energy: -107.467
flat angles C4'-P-C4' energy: -129.063
flat angles P-C4'-P energy: -93.847
tors. eta vs tors. theta energy: -174.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1882.793708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.793708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.793708 (E_RNA)
where:
Base-Base interactions energy: -1310.468
where: short stacking energy: -524.065
Base-Backbone interact. energy: -4.553
local terms energy: -567.773076
where:
bonds (distance) C4'-P energy: -111.795
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -121.263
flat angles P-C4'-P energy: -68.310
tors. eta vs tors. theta energy: -151.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1732.489217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.489217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.489217 (E_RNA)
where:
Base-Base interactions energy: -1197.082
where: short stacking energy: -491.116
Base-Backbone interact. energy: 2.885
local terms energy: -538.291656
where:
bonds (distance) C4'-P energy: -102.335
bonds (distance) P-C4' energy: -113.709
flat angles C4'-P-C4' energy: -122.172
flat angles P-C4'-P energy: -78.344
tors. eta vs tors. theta energy: -121.732
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1632.962704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.962704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.962704 (E_RNA)
where:
Base-Base interactions energy: -1097.757
where: short stacking energy: -511.674
Base-Backbone interact. energy: -1.589
local terms energy: -533.616197
where:
bonds (distance) C4'-P energy: -96.956
bonds (distance) P-C4' energy: -98.902
flat angles C4'-P-C4' energy: -123.636
flat angles P-C4'-P energy: -75.665
tors. eta vs tors. theta energy: -138.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1505.594903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.594903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.594903 (E_RNA)
where:
Base-Base interactions energy: -998.583
where: short stacking energy: -455.962
Base-Backbone interact. energy: 4.234
local terms energy: -511.246101
where:
bonds (distance) C4'-P energy: -103.604
bonds (distance) P-C4' energy: -115.791
flat angles C4'-P-C4' energy: -99.222
flat angles P-C4'-P energy: -76.239
tors. eta vs tors. theta energy: -116.390
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: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1294.896406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.896406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.896406 (E_RNA)
where:
Base-Base interactions energy: -852.978
where: short stacking energy: -366.805
Base-Backbone interact. energy: 0.923
local terms energy: -442.841364
where:
bonds (distance) C4'-P energy: -99.401
bonds (distance) P-C4' energy: -87.201
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -71.616
tors. eta vs tors. theta energy: -80.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1155.976402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.976402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.976402 (E_RNA)
where:
Base-Base interactions energy: -749.406
where: short stacking energy: -301.814
Base-Backbone interact. energy: -2.047
local terms energy: -404.523744
where:
bonds (distance) C4'-P energy: -95.303
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -96.288
flat angles P-C4'-P energy: -62.986
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -912.196157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.196157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.196157 (E_RNA)
where:
Base-Base interactions energy: -555.387
where: short stacking energy: -255.796
Base-Backbone interact. energy: 6.239
local terms energy: -363.047312
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -101.845
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -633.499086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.499086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.499086 (E_RNA)
where:
Base-Base interactions energy: -341.591
where: short stacking energy: -208.451
Base-Backbone interact. energy: 1.207
local terms energy: -293.115548
where:
bonds (distance) C4'-P energy: -93.012
bonds (distance) P-C4' energy: -91.292
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2063.257460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.257460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.257460 (E_RNA)
where:
Base-Base interactions energy: -1447.585
where: short stacking energy: -595.592
Base-Backbone interact. energy: -1.008
local terms energy: -614.664088
where:
bonds (distance) C4'-P energy: -110.215
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -126.913
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -173.437
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: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1962.827625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.827625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.827625 (E_RNA)
where:
Base-Base interactions energy: -1364.789
where: short stacking energy: -562.810
Base-Backbone interact. energy: -2.216
local terms energy: -595.822427
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -111.954
flat angles C4'-P-C4' energy: -135.016
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -171.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1892.478730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.478730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.478730 (E_RNA)
where:
Base-Base interactions energy: -1322.005
where: short stacking energy: -535.871
Base-Backbone interact. energy: -1.175
local terms energy: -569.298504
where:
bonds (distance) C4'-P energy: -109.017
bonds (distance) P-C4' energy: -95.734
flat angles C4'-P-C4' energy: -130.454
flat angles P-C4'-P energy: -84.599
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: 417
Temperature: 1.050000
Total energy: -1740.303476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.303476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.303476 (E_RNA)
where:
Base-Base interactions energy: -1188.542
where: short stacking energy: -472.575
Base-Backbone interact. energy: -0.313
local terms energy: -551.448557
where:
bonds (distance) C4'-P energy: -109.807
bonds (distance) P-C4' energy: -106.475
flat angles C4'-P-C4' energy: -132.326
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -119.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1707.718935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.718935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.718935 (E_RNA)
where:
Base-Base interactions energy: -1139.500
where: short stacking energy: -541.247
Base-Backbone interact. energy: -1.046
local terms energy: -567.172874
where:
bonds (distance) C4'-P energy: -98.681
bonds (distance) P-C4' energy: -112.498
flat angles C4'-P-C4' energy: -123.111
flat angles P-C4'-P energy: -83.509
tors. eta vs tors. theta energy: -149.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1469.454592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.454592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.454592 (E_RNA)
where:
Base-Base interactions energy: -983.781
where: short stacking energy: -416.089
Base-Backbone interact. energy: -1.465
local terms energy: -484.208222
where:
bonds (distance) C4'-P energy: -95.291
bonds (distance) P-C4' energy: -103.391
flat angles C4'-P-C4' energy: -115.205
flat angles P-C4'-P energy: -61.833
tors. eta vs tors. theta energy: -108.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1335.202226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.202226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.202226 (E_RNA)
where:
Base-Base interactions energy: -879.106
where: short stacking energy: -372.525
Base-Backbone interact. energy: 2.136
local terms energy: -458.232548
where:
bonds (distance) C4'-P energy: -90.361
bonds (distance) P-C4' energy: -104.072
flat angles C4'-P-C4' energy: -102.343
flat angles P-C4'-P energy: -75.048
tors. eta vs tors. theta energy: -86.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1133.153941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.153941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.153941 (E_RNA)
where:
Base-Base interactions energy: -731.004
where: short stacking energy: -320.802
Base-Backbone interact. energy: -0.282
local terms energy: -401.868583
where:
bonds (distance) C4'-P energy: -91.999
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -107.230
flat angles P-C4'-P energy: -64.559
tors. eta vs tors. theta energy: -53.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -934.645692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.645692 (E_RNA)
where:
Base-Base interactions energy: -563.615
where: short stacking energy: -266.261
Base-Backbone interact. energy: -3.308
local terms energy: -367.722537
where:
bonds (distance) C4'-P energy: -92.952
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -95.358
flat angles P-C4'-P energy: -57.994
tors. eta vs tors. theta energy: -28.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -745.549510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.549510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.549510 (E_RNA)
where:
Base-Base interactions energy: -387.452
where: short stacking energy: -204.273
Base-Backbone interact. energy: -4.368
local terms energy: -353.728956
where:
bonds (distance) C4'-P energy: -96.920
bonds (distance) P-C4' energy: -103.681
flat angles C4'-P-C4' energy: -98.641
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2061.882781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.882781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.882781 (E_RNA)
where:
Base-Base interactions energy: -1434.995
where: short stacking energy: -607.701
Base-Backbone interact. energy: -2.624
local terms energy: -624.264356
where:
bonds (distance) C4'-P energy: -117.421
bonds (distance) P-C4' energy: -116.821
flat angles C4'-P-C4' energy: -126.981
flat angles P-C4'-P energy: -81.899
tors. eta vs tors. theta energy: -181.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1983.082679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.082679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.082679 (E_RNA)
where:
Base-Base interactions energy: -1368.014
where: short stacking energy: -561.237
Base-Backbone interact. energy: -5.033
local terms energy: -610.035279
where:
bonds (distance) C4'-P energy: -104.543
bonds (distance) P-C4' energy: -112.644
flat angles C4'-P-C4' energy: -132.996
flat angles P-C4'-P energy: -88.271
tors. eta vs tors. theta energy: -171.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1882.818393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.818393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.818393 (E_RNA)
where:
Base-Base interactions energy: -1303.370
where: short stacking energy: -527.007
Base-Backbone interact. energy: 0.631
local terms energy: -580.079519
where:
bonds (distance) C4'-P energy: -103.277
bonds (distance) P-C4' energy: -129.878
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -74.250
tors. eta vs tors. theta energy: -141.596
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: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1773.056788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.056788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.056788 (E_RNA)
where:
Base-Base interactions energy: -1231.564
where: short stacking energy: -502.875
Base-Backbone interact. energy: -0.660
local terms energy: -540.833040
where:
bonds (distance) C4'-P energy: -96.082
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -128.510
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: -142.374
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1633.602573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.602573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.602573 (E_RNA)
where:
Base-Base interactions energy: -1077.751
where: short stacking energy: -480.314
Base-Backbone interact. energy: -1.316
local terms energy: -554.535340
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -97.912
flat angles C4'-P-C4' energy: -133.559
flat angles P-C4'-P energy: -75.994
tors. eta vs tors. theta energy: -139.819
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: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1530.248393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.248393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.248393 (E_RNA)
where:
Base-Base interactions energy: -1025.273
where: short stacking energy: -468.110
Base-Backbone interact. energy: -3.768
local terms energy: -501.207134
where:
bonds (distance) C4'-P energy: -97.822
bonds (distance) P-C4' energy: -100.813
flat angles C4'-P-C4' energy: -106.154
flat angles P-C4'-P energy: -68.691
tors. eta vs tors. theta energy: -127.727
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: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1324.936300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.936300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.936300 (E_RNA)
where:
Base-Base interactions energy: -865.731
where: short stacking energy: -365.321
Base-Backbone interact. energy: -1.238
local terms energy: -457.967261
where:
bonds (distance) C4'-P energy: -91.416
bonds (distance) P-C4' energy: -113.116
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -68.292
tors. eta vs tors. theta energy: -85.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1150.618039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.618039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.618039 (E_RNA)
where:
Base-Base interactions energy: -720.299
where: short stacking energy: -327.818
Base-Backbone interact. energy: -1.368
local terms energy: -428.950838
where:
bonds (distance) C4'-P energy: -108.600
bonds (distance) P-C4' energy: -120.411
flat angles C4'-P-C4' energy: -98.880
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -59.693
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: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -871.171659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.171659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.171659 (E_RNA)
where:
Base-Base interactions energy: -496.865
where: short stacking energy: -248.251
Base-Backbone interact. energy: 0.032
local terms energy: -374.338455
where:
bonds (distance) C4'-P energy: -89.180
bonds (distance) P-C4' energy: -111.531
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -64.207
tors. eta vs tors. theta energy: -31.053
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: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -617.229658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.229658 (E_RNA)
where:
Base-Base interactions energy: -311.090
where: short stacking energy: -180.454
Base-Backbone interact. energy: -1.066
local terms energy: -305.073345
where:
bonds (distance) C4'-P energy: -89.345
bonds (distance) P-C4' energy: -81.239
flat angles C4'-P-C4' energy: -79.641
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -14.403
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: 419
Temperature: 0.900000
Total energy: -2091.950079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.950079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.950079 (E_RNA)
where:
Base-Base interactions energy: -1469.373
where: short stacking energy: -573.613
Base-Backbone interact. energy: -1.491
local terms energy: -621.086094
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -102.980
flat angles C4'-P-C4' energy: -137.782
flat angles P-C4'-P energy: -77.339
tors. eta vs tors. theta energy: -173.382
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1994.648359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.648359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.648359 (E_RNA)
where:
Base-Base interactions energy: -1380.836
where: short stacking energy: -578.720
Base-Backbone interact. energy: -4.336
local terms energy: -609.477016
where:
bonds (distance) C4'-P energy: -115.058
bonds (distance) P-C4' energy: -110.328
flat angles C4'-P-C4' energy: -131.150
flat angles P-C4'-P energy: -87.283
tors. eta vs tors. theta energy: -165.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1888.882806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.882806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.882806 (E_RNA)
where:
Base-Base interactions energy: -1298.862
where: short stacking energy: -539.669
Base-Backbone interact. energy: -2.031
local terms energy: -587.989541
where:
bonds (distance) C4'-P energy: -117.571
bonds (distance) P-C4' energy: -105.024
flat angles C4'-P-C4' energy: -131.087
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -148.280
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: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1794.649702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.649702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.649702 (E_RNA)
where:
Base-Base interactions energy: -1230.232
where: short stacking energy: -535.984
Base-Backbone interact. energy: -3.910
local terms energy: -560.507658
where:
bonds (distance) C4'-P energy: -107.835
bonds (distance) P-C4' energy: -101.282
flat angles C4'-P-C4' energy: -126.146
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -146.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1575.939661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.939661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.939661 (E_RNA)
where:
Base-Base interactions energy: -1022.401
where: short stacking energy: -476.492
Base-Backbone interact. energy: -2.211
local terms energy: -551.327410
where:
bonds (distance) C4'-P energy: -112.802
bonds (distance) P-C4' energy: -111.519
flat angles C4'-P-C4' energy: -125.239
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -128.860
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: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1495.059426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.059426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.059426 (E_RNA)
where:
Base-Base interactions energy: -968.350
where: short stacking energy: -442.947
Base-Backbone interact. energy: 0.767
local terms energy: -527.475904
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -118.536
flat angles C4'-P-C4' energy: -111.302
flat angles P-C4'-P energy: -86.650
tors. eta vs tors. theta energy: -119.001
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1331.418328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.418328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.418328 (E_RNA)
where:
Base-Base interactions energy: -869.143
where: short stacking energy: -370.873
Base-Backbone interact. energy: -1.153
local terms energy: -461.121981
where:
bonds (distance) C4'-P energy: -104.292
bonds (distance) P-C4' energy: -104.610
flat angles C4'-P-C4' energy: -99.082
flat angles P-C4'-P energy: -67.539
tors. eta vs tors. theta energy: -85.599
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: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1150.321607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.321607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.321607 (E_RNA)
where:
Base-Base interactions energy: -741.949
where: short stacking energy: -354.318
Base-Backbone interact. energy: 3.252
local terms energy: -411.623855
where:
bonds (distance) C4'-P energy: -91.141
bonds (distance) P-C4' energy: -108.621
flat angles C4'-P-C4' energy: -87.590
flat angles P-C4'-P energy: -55.984
tors. eta vs tors. theta energy: -68.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -895.070336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.070336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.070336 (E_RNA)
where:
Base-Base interactions energy: -544.091
where: short stacking energy: -228.676
Base-Backbone interact. energy: -0.074
local terms energy: -350.905306
where:
bonds (distance) C4'-P energy: -115.250
bonds (distance) P-C4' energy: -99.307
flat angles C4'-P-C4' energy: -83.139
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -644.466827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.466827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.466827 (E_RNA)
where:
Base-Base interactions energy: -321.473
where: short stacking energy: -173.730
Base-Backbone interact. energy: -2.789
local terms energy: -320.205462
where:
bonds (distance) C4'-P energy: -86.033
bonds (distance) P-C4' energy: -107.036
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2113.457274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.457274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.457274 (E_RNA)
where:
Base-Base interactions energy: -1460.075
where: short stacking energy: -615.969
Base-Backbone interact. energy: -3.825
local terms energy: -649.557135
where:
bonds (distance) C4'-P energy: -111.529
bonds (distance) P-C4' energy: -120.103
flat angles C4'-P-C4' energy: -143.379
flat angles P-C4'-P energy: -94.091
tors. eta vs tors. theta energy: -180.455
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: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1995.845473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.845473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.845473 (E_RNA)
where:
Base-Base interactions energy: -1371.009
where: short stacking energy: -580.969
Base-Backbone interact. energy: -4.895
local terms energy: -619.940513
where:
bonds (distance) C4'-P energy: -121.095
bonds (distance) P-C4' energy: -110.071
flat angles C4'-P-C4' energy: -128.011
flat angles P-C4'-P energy: -87.774
tors. eta vs tors. theta energy: -172.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1864.207284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.207284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.207284 (E_RNA)
where:
Base-Base interactions energy: -1300.459
where: short stacking energy: -516.367
Base-Backbone interact. energy: -2.521
local terms energy: -561.226356
where:
bonds (distance) C4'-P energy: -120.714
bonds (distance) P-C4' energy: -118.467
flat angles C4'-P-C4' energy: -111.137
flat angles P-C4'-P energy: -70.999
tors. eta vs tors. theta energy: -139.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1808.692010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.692010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.692010 (E_RNA)
where:
Base-Base interactions energy: -1249.684
where: short stacking energy: -492.088
Base-Backbone interact. energy: -2.967
local terms energy: -556.041039
where:
bonds (distance) C4'-P energy: -115.860
bonds (distance) P-C4' energy: -112.488
flat angles C4'-P-C4' energy: -108.674
flat angles P-C4'-P energy: -83.410
tors. eta vs tors. theta energy: -135.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1623.715121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.715121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.715121 (E_RNA)
where:
Base-Base interactions energy: -1136.124
where: short stacking energy: -511.145
Base-Backbone interact. energy: 1.138
local terms energy: -488.728590
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -111.033
flat angles P-C4'-P energy: -67.544
tors. eta vs tors. theta energy: -126.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1489.688694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.688694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.688694 (E_RNA)
where:
Base-Base interactions energy: -970.524
where: short stacking energy: -448.275
Base-Backbone interact. energy: -0.704
local terms energy: -518.460616
where:
bonds (distance) C4'-P energy: -112.742
bonds (distance) P-C4' energy: -105.623
flat angles C4'-P-C4' energy: -111.957
flat angles P-C4'-P energy: -82.083
tors. eta vs tors. theta energy: -106.056
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: 420
Temperature: 1.200000
Total energy: -1377.799008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.799008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.799008 (E_RNA)
where:
Base-Base interactions energy: -916.075
where: short stacking energy: -408.931
Base-Backbone interact. energy: -2.921
local terms energy: -458.802507
where:
bonds (distance) C4'-P energy: -86.817
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -71.198
tors. eta vs tors. theta energy: -101.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1179.928572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.928572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.928572 (E_RNA)
where:
Base-Base interactions energy: -772.421
where: short stacking energy: -331.241
Base-Backbone interact. energy: -1.910
local terms energy: -405.597516
where:
bonds (distance) C4'-P energy: -99.799
bonds (distance) P-C4' energy: -87.561
flat angles C4'-P-C4' energy: -83.647
flat angles P-C4'-P energy: -56.083
tors. eta vs tors. theta energy: -78.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -894.513370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.513370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.513370 (E_RNA)
where:
Base-Base interactions energy: -522.459
where: short stacking energy: -248.006
Base-Backbone interact. energy: 1.726
local terms energy: -373.780304
where:
bonds (distance) C4'-P energy: -99.159
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -95.269
flat angles P-C4'-P energy: -67.370
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: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -660.031382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.031382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.031382 (E_RNA)
where:
Base-Base interactions energy: -324.102
where: short stacking energy: -188.822
Base-Backbone interact. energy: 0.429
local terms energy: -336.358656
where:
bonds (distance) C4'-P energy: -95.674
bonds (distance) P-C4' energy: -102.087
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -50.635
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2096.988075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.988075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.988075 (E_RNA)
where:
Base-Base interactions energy: -1488.200
where: short stacking energy: -586.099
Base-Backbone interact. energy: -3.319
local terms energy: -605.468964
where:
bonds (distance) C4'-P energy: -112.570
bonds (distance) P-C4' energy: -106.014
flat angles C4'-P-C4' energy: -127.893
flat angles P-C4'-P energy: -85.538
tors. eta vs tors. theta energy: -173.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2009.911999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.911999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.911999 (E_RNA)
where:
Base-Base interactions energy: -1375.143
where: short stacking energy: -598.544
Base-Backbone interact. energy: -2.701
local terms energy: -632.068389
where:
bonds (distance) C4'-P energy: -105.165
bonds (distance) P-C4' energy: -119.385
flat angles C4'-P-C4' energy: -133.815
flat angles P-C4'-P energy: -98.768
tors. eta vs tors. theta energy: -174.935
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1843.942938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.942938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.942938 (E_RNA)
where:
Base-Base interactions energy: -1265.366
where: short stacking energy: -504.698
Base-Backbone interact. energy: -2.629
local terms energy: -575.947932
where:
bonds (distance) C4'-P energy: -113.107
bonds (distance) P-C4' energy: -108.256
flat angles C4'-P-C4' energy: -131.092
flat angles P-C4'-P energy: -86.063
tors. eta vs tors. theta energy: -137.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1801.613832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.613832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.613832 (E_RNA)
where:
Base-Base interactions energy: -1247.338
where: short stacking energy: -516.883
Base-Backbone interact. energy: -3.680
local terms energy: -550.595187
where:
bonds (distance) C4'-P energy: -111.644
bonds (distance) P-C4' energy: -99.546
flat angles C4'-P-C4' energy: -120.840
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -144.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1688.012200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.012200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.012200 (E_RNA)
where:
Base-Base interactions energy: -1155.539
where: short stacking energy: -495.267
Base-Backbone interact. energy: 0.991
local terms energy: -533.464685
where:
bonds (distance) C4'-P energy: -108.439
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -119.083
flat angles P-C4'-P energy: -68.095
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: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1528.707739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.707739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.707739 (E_RNA)
where:
Base-Base interactions energy: -1007.994
where: short stacking energy: -427.502
Base-Backbone interact. energy: -4.603
local terms energy: -516.111481
where:
bonds (distance) C4'-P energy: -112.833
bonds (distance) P-C4' energy: -86.819
flat angles C4'-P-C4' energy: -115.701
flat angles P-C4'-P energy: -80.039
tors. eta vs tors. theta energy: -120.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1359.441054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.441054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.441054 (E_RNA)
where:
Base-Base interactions energy: -894.652
where: short stacking energy: -379.782
Base-Backbone interact. energy: -0.376
local terms energy: -464.413115
where:
bonds (distance) C4'-P energy: -108.621
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -114.842
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -97.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1165.989718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.989718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.989718 (E_RNA)
where:
Base-Base interactions energy: -750.365
where: short stacking energy: -352.357
Base-Backbone interact. energy: 3.077
local terms energy: -418.702254
where:
bonds (distance) C4'-P energy: -103.787
bonds (distance) P-C4' energy: -84.532
flat angles C4'-P-C4' energy: -107.476
flat angles P-C4'-P energy: -62.130
tors. eta vs tors. theta energy: -60.777
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -839.162774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.162774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.162774 (E_RNA)
where:
Base-Base interactions energy: -483.285
where: short stacking energy: -237.910
Base-Backbone interact. energy: -1.177
local terms energy: -354.700516
where:
bonds (distance) C4'-P energy: -112.170
bonds (distance) P-C4' energy: -77.887
flat angles C4'-P-C4' energy: -81.819
flat angles P-C4'-P energy: -69.156
tors. eta vs tors. theta energy: -13.668
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: 421
Temperature: 1.350000
Total energy: -646.169144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.169144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.169144 (E_RNA)
where:
Base-Base interactions energy: -328.262
where: short stacking energy: -171.440
Base-Backbone interact. energy: 2.807
local terms energy: -320.714544
where:
bonds (distance) C4'-P energy: -93.830
bonds (distance) P-C4' energy: -98.267
flat angles C4'-P-C4' energy: -95.312
flat angles P-C4'-P energy: -44.918
tors. eta vs tors. theta energy: 11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2097.948121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.948121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.948121 (E_RNA)
where:
Base-Base interactions energy: -1467.190
where: short stacking energy: -592.021
Base-Backbone interact. energy: -1.284
local terms energy: -629.473996
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -124.968
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -91.491
tors. eta vs tors. theta energy: -176.446
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: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1977.353426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.353426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.353426 (E_RNA)
where:
Base-Base interactions energy: -1377.648
where: short stacking energy: -583.262
Base-Backbone interact. energy: -0.337
local terms energy: -599.368183
where:
bonds (distance) C4'-P energy: -111.152
bonds (distance) P-C4' energy: -102.224
flat angles C4'-P-C4' energy: -123.846
flat angles P-C4'-P energy: -84.974
tors. eta vs tors. theta energy: -177.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1865.125036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.125036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.125036 (E_RNA)
where:
Base-Base interactions energy: -1302.100
where: short stacking energy: -516.259
Base-Backbone interact. energy: -3.358
local terms energy: -559.666898
where:
bonds (distance) C4'-P energy: -104.454
bonds (distance) P-C4' energy: -113.515
flat angles C4'-P-C4' energy: -124.413
flat angles P-C4'-P energy: -74.914
tors. eta vs tors. theta energy: -142.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1804.945251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.945251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.945251 (E_RNA)
where:
Base-Base interactions energy: -1232.830
where: short stacking energy: -510.485
Base-Backbone interact. energy: -3.434
local terms energy: -568.681400
where:
bonds (distance) C4'-P energy: -102.407
bonds (distance) P-C4' energy: -108.739
flat angles C4'-P-C4' energy: -131.785
flat angles P-C4'-P energy: -87.609
tors. eta vs tors. theta energy: -138.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1616.367907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.367907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.367907 (E_RNA)
where:
Base-Base interactions energy: -1061.427
where: short stacking energy: -468.878
Base-Backbone interact. energy: -1.217
local terms energy: -553.724132
where:
bonds (distance) C4'-P energy: -113.058
bonds (distance) P-C4' energy: -105.518
flat angles C4'-P-C4' energy: -126.817
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -129.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1474.155419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.155419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.155419 (E_RNA)
where:
Base-Base interactions energy: -929.956
where: short stacking energy: -444.168
Base-Backbone interact. energy: -0.591
local terms energy: -543.608284
where:
bonds (distance) C4'-P energy: -106.882
bonds (distance) P-C4' energy: -111.777
flat angles C4'-P-C4' energy: -113.146
flat angles P-C4'-P energy: -94.602
tors. eta vs tors. theta energy: -117.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1362.391098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.391098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.391098 (E_RNA)
where:
Base-Base interactions energy: -893.545
where: short stacking energy: -387.989
Base-Backbone interact. energy: -2.791
local terms energy: -466.056070
where:
bonds (distance) C4'-P energy: -103.246
bonds (distance) P-C4' energy: -99.537
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -83.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1211.954553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.954553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.954553 (E_RNA)
where:
Base-Base interactions energy: -791.629
where: short stacking energy: -352.892
Base-Backbone interact. energy: -2.146
local terms energy: -418.179696
where:
bonds (distance) C4'-P energy: -95.370
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -97.638
flat angles P-C4'-P energy: -65.496
tors. eta vs tors. theta energy: -75.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -862.796140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.796140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.796140 (E_RNA)
where:
Base-Base interactions energy: -477.137
where: short stacking energy: -230.657
Base-Backbone interact. energy: -0.229
local terms energy: -385.429454
where:
bonds (distance) C4'-P energy: -92.724
bonds (distance) P-C4' energy: -93.046
flat angles C4'-P-C4' energy: -99.517
flat angles P-C4'-P energy: -57.247
tors. eta vs tors. theta energy: -42.895
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: 422
Temperature: 1.350000
Total energy: -589.893021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.893021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.893021 (E_RNA)
where:
Base-Base interactions energy: -253.815
where: short stacking energy: -162.142
Base-Backbone interact. energy: -2.336
local terms energy: -333.742110
where:
bonds (distance) C4'-P energy: -85.986
bonds (distance) P-C4' energy: -114.805
flat angles C4'-P-C4' energy: -80.067
flat angles P-C4'-P energy: -58.341
tors. eta vs tors. theta energy: 5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2105.901288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.901288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.901288 (E_RNA)
where:
Base-Base interactions energy: -1476.842
where: short stacking energy: -613.615
Base-Backbone interact. energy: -5.838
local terms energy: -623.221110
where:
bonds (distance) C4'-P energy: -114.238
bonds (distance) P-C4' energy: -120.548
flat angles C4'-P-C4' energy: -126.549
flat angles P-C4'-P energy: -90.002
tors. eta vs tors. theta energy: -171.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1974.603575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.603575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.603575 (E_RNA)
where:
Base-Base interactions energy: -1353.257
where: short stacking energy: -562.584
Base-Backbone interact. energy: -1.810
local terms energy: -619.536912
where:
bonds (distance) C4'-P energy: -112.857
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -92.086
tors. eta vs tors. theta energy: -164.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1860.172841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.172841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.172841 (E_RNA)
where:
Base-Base interactions energy: -1311.050
where: short stacking energy: -510.245
Base-Backbone interact. energy: -3.753
local terms energy: -545.369842
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -109.302
flat angles C4'-P-C4' energy: -125.824
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -140.620
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: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1830.498494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.498494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.498494 (E_RNA)
where:
Base-Base interactions energy: -1270.324
where: short stacking energy: -498.284
Base-Backbone interact. energy: -2.523
local terms energy: -557.651512
where:
bonds (distance) C4'-P energy: -106.034
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -112.713
flat angles P-C4'-P energy: -84.317
tors. eta vs tors. theta energy: -137.668
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: 423
Temperature: 1.100000
Total energy: -1601.861418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.861418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.861418 (E_RNA)
where:
Base-Base interactions energy: -1060.747
where: short stacking energy: -488.632
Base-Backbone interact. energy: -0.620
local terms energy: -540.494333
where:
bonds (distance) C4'-P energy: -115.955
bonds (distance) P-C4' energy: -98.996
flat angles C4'-P-C4' energy: -111.969
flat angles P-C4'-P energy: -89.564
tors. eta vs tors. theta energy: -124.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1494.822323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.822323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.822323 (E_RNA)
where:
Base-Base interactions energy: -994.468
where: short stacking energy: -451.424
Base-Backbone interact. energy: 0.265
local terms energy: -500.619248
where:
bonds (distance) C4'-P energy: -91.413
bonds (distance) P-C4' energy: -88.060
flat angles C4'-P-C4' energy: -108.136
flat angles P-C4'-P energy: -87.010
tors. eta vs tors. theta energy: -126.001
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: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1344.575571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.575571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.575571 (E_RNA)
where:
Base-Base interactions energy: -862.804
where: short stacking energy: -414.667
Base-Backbone interact. energy: 1.959
local terms energy: -483.731131
where:
bonds (distance) C4'-P energy: -96.321
bonds (distance) P-C4' energy: -98.908
flat angles C4'-P-C4' energy: -118.351
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -97.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1123.997180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.997180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.997180 (E_RNA)
where:
Base-Base interactions energy: -706.068
where: short stacking energy: -320.452
Base-Backbone interact. energy: -2.621
local terms energy: -415.307727
where:
bonds (distance) C4'-P energy: -101.847
bonds (distance) P-C4' energy: -90.496
flat angles C4'-P-C4' energy: -87.182
flat angles P-C4'-P energy: -68.137
tors. eta vs tors. theta energy: -67.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -871.626434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.626434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.626434 (E_RNA)
where:
Base-Base interactions energy: -492.156
where: short stacking energy: -248.758
Base-Backbone interact. energy: 2.624
local terms energy: -382.094436
where:
bonds (distance) C4'-P energy: -109.860
bonds (distance) P-C4' energy: -102.914
flat angles C4'-P-C4' energy: -90.883
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -30.016
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: 423
Temperature: 1.350000
Total energy: -545.618595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.618595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.618595 (E_RNA)
where:
Base-Base interactions energy: -250.665
where: short stacking energy: -136.625
Base-Backbone interact. energy: -1.468
local terms energy: -293.486127
where:
bonds (distance) C4'-P energy: -79.501
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: 15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2103.834757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.834757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.834757 (E_RNA)
where:
Base-Base interactions energy: -1457.047
where: short stacking energy: -600.116
Base-Backbone interact. energy: -0.470
local terms energy: -646.317100
where:
bonds (distance) C4'-P energy: -120.575
bonds (distance) P-C4' energy: -116.059
flat angles C4'-P-C4' energy: -131.866
flat angles P-C4'-P energy: -96.929
tors. eta vs tors. theta energy: -180.888
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: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2006.224660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.224660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.224660 (E_RNA)
where:
Base-Base interactions energy: -1369.648
where: short stacking energy: -569.573
Base-Backbone interact. energy: -4.187
local terms energy: -632.389977
where:
bonds (distance) C4'-P energy: -122.986
bonds (distance) P-C4' energy: -129.391
flat angles C4'-P-C4' energy: -130.883
flat angles P-C4'-P energy: -77.948
tors. eta vs tors. theta energy: -171.182
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1889.580484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.580484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.580484 (E_RNA)
where:
Base-Base interactions energy: -1320.962
where: short stacking energy: -508.126
Base-Backbone interact. energy: -3.846
local terms energy: -564.771951
where:
bonds (distance) C4'-P energy: -106.020
bonds (distance) P-C4' energy: -117.740
flat angles C4'-P-C4' energy: -118.745
flat angles P-C4'-P energy: -84.161
tors. eta vs tors. theta energy: -138.106
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: 424
Temperature: 1.050000
Total energy: -1810.509295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.509295 (E_RNA)
where:
Base-Base interactions energy: -1272.381
where: short stacking energy: -521.891
Base-Backbone interact. energy: -1.198
local terms energy: -536.930640
where:
bonds (distance) C4'-P energy: -91.441
bonds (distance) P-C4' energy: -98.174
flat angles C4'-P-C4' energy: -126.900
flat angles P-C4'-P energy: -77.155
tors. eta vs tors. theta energy: -143.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1635.384825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.384825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.384825 (E_RNA)
where:
Base-Base interactions energy: -1105.771
where: short stacking energy: -502.791
Base-Backbone interact. energy: -1.104
local terms energy: -528.509959
where:
bonds (distance) C4'-P energy: -105.987
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -71.583
tors. eta vs tors. theta energy: -135.353
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1489.688069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.688069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.688069 (E_RNA)
where:
Base-Base interactions energy: -980.550
where: short stacking energy: -457.220
Base-Backbone interact. energy: 0.083
local terms energy: -509.221041
where:
bonds (distance) C4'-P energy: -101.743
bonds (distance) P-C4' energy: -94.200
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -123.714
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: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1338.495455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.495455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.495455 (E_RNA)
where:
Base-Base interactions energy: -884.591
where: short stacking energy: -368.612
Base-Backbone interact. energy: 0.211
local terms energy: -454.114606
where:
bonds (distance) C4'-P energy: -115.123
bonds (distance) P-C4' energy: -114.412
flat angles C4'-P-C4' energy: -90.711
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -87.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1161.119946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.119946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.119946 (E_RNA)
where:
Base-Base interactions energy: -737.262
where: short stacking energy: -351.973
Base-Backbone interact. energy: -0.633
local terms energy: -423.224976
where:
bonds (distance) C4'-P energy: -87.545
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -108.197
flat angles P-C4'-P energy: -63.335
tors. eta vs tors. theta energy: -74.187
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -857.899111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.899111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.899111 (E_RNA)
where:
Base-Base interactions energy: -510.657
where: short stacking energy: -244.911
Base-Backbone interact. energy: 7.412
local terms energy: -354.654436
where:
bonds (distance) C4'-P energy: -97.075
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -93.201
flat angles P-C4'-P energy: -47.150
tors. eta vs tors. theta energy: -25.256
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: 424
Temperature: 1.350000
Total energy: -625.613145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.613145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.613145 (E_RNA)
where:
Base-Base interactions energy: -295.601
where: short stacking energy: -197.191
Base-Backbone interact. energy: -2.392
local terms energy: -327.620364
where:
bonds (distance) C4'-P energy: -73.003
bonds (distance) P-C4' energy: -100.553
flat angles C4'-P-C4' energy: -82.407
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -13.848
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2105.625549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.625549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.625549 (E_RNA)
where:
Base-Base interactions energy: -1457.280
where: short stacking energy: -586.454
Base-Backbone interact. energy: -3.962
local terms energy: -644.383345
where:
bonds (distance) C4'-P energy: -112.696
bonds (distance) P-C4' energy: -129.973
flat angles C4'-P-C4' energy: -131.369
flat angles P-C4'-P energy: -86.393
tors. eta vs tors. theta energy: -183.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1991.001099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.001099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.001099 (E_RNA)
where:
Base-Base interactions energy: -1402.736
where: short stacking energy: -595.242
Base-Backbone interact. energy: -0.318
local terms energy: -587.947709
where:
bonds (distance) C4'-P energy: -101.483
bonds (distance) P-C4' energy: -105.270
flat angles C4'-P-C4' energy: -122.451
flat angles P-C4'-P energy: -84.214
tors. eta vs tors. theta energy: -174.530
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: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1923.591084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.591084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.591084 (E_RNA)
where:
Base-Base interactions energy: -1333.564
where: short stacking energy: -544.536
Base-Backbone interact. energy: -2.821
local terms energy: -587.205504
where:
bonds (distance) C4'-P energy: -130.298
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -136.035
flat angles P-C4'-P energy: -72.979
tors. eta vs tors. theta energy: -142.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1841.358783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.358783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.358783 (E_RNA)
where:
Base-Base interactions energy: -1268.624
where: short stacking energy: -514.558
Base-Backbone interact. energy: -0.728
local terms energy: -572.006667
where:
bonds (distance) C4'-P energy: -113.793
bonds (distance) P-C4' energy: -109.706
flat angles C4'-P-C4' energy: -116.081
flat angles P-C4'-P energy: -91.831
tors. eta vs tors. theta energy: -140.596
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: 425
Temperature: 1.100000
Total energy: -1645.483736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.483736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.483736 (E_RNA)
where:
Base-Base interactions energy: -1090.984
where: short stacking energy: -508.139
Base-Backbone interact. energy: -0.657
local terms energy: -553.843155
where:
bonds (distance) C4'-P energy: -107.155
bonds (distance) P-C4' energy: -122.355
flat angles C4'-P-C4' energy: -115.076
flat angles P-C4'-P energy: -67.590
tors. eta vs tors. theta energy: -141.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1471.015602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.015602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.015602 (E_RNA)
where:
Base-Base interactions energy: -994.304
where: short stacking energy: -472.113
Base-Backbone interact. energy: -3.064
local terms energy: -473.647494
where:
bonds (distance) C4'-P energy: -97.043
bonds (distance) P-C4' energy: -82.077
flat angles C4'-P-C4' energy: -116.156
flat angles P-C4'-P energy: -61.297
tors. eta vs tors. theta energy: -117.074
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: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1386.374403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.374403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.374403 (E_RNA)
where:
Base-Base interactions energy: -913.396
where: short stacking energy: -427.605
Base-Backbone interact. energy: -2.129
local terms energy: -470.849798
where:
bonds (distance) C4'-P energy: -101.173
bonds (distance) P-C4' energy: -104.366
flat angles C4'-P-C4' energy: -91.605
flat angles P-C4'-P energy: -72.054
tors. eta vs tors. theta energy: -101.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1180.628709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.628709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.628709 (E_RNA)
where:
Base-Base interactions energy: -743.951
where: short stacking energy: -332.083
Base-Backbone interact. energy: -2.140
local terms energy: -434.537060
where:
bonds (distance) C4'-P energy: -103.770
bonds (distance) P-C4' energy: -97.788
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -76.821
tors. eta vs tors. theta energy: -65.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -887.604402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.604402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.604402 (E_RNA)
where:
Base-Base interactions energy: -526.600
where: short stacking energy: -236.103
Base-Backbone interact. energy: 0.753
local terms energy: -361.757204
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -112.818
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -536.832934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.832934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.832934 (E_RNA)
where:
Base-Base interactions energy: -241.480
where: short stacking energy: -137.332
Base-Backbone interact. energy: -0.430
local terms energy: -294.923361
where:
bonds (distance) C4'-P energy: -100.905
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -83.321
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: 31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2123.587426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.587426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.587426 (E_RNA)
where:
Base-Base interactions energy: -1489.182
where: short stacking energy: -589.555
Base-Backbone interact. energy: -4.911
local terms energy: -629.494463
where:
bonds (distance) C4'-P energy: -115.921
bonds (distance) P-C4' energy: -110.028
flat angles C4'-P-C4' energy: -133.184
flat angles P-C4'-P energy: -87.370
tors. eta vs tors. theta energy: -182.992
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: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1974.012176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.012176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.012176 (E_RNA)
where:
Base-Base interactions energy: -1360.512
where: short stacking energy: -561.241
Base-Backbone interact. energy: -1.193
local terms energy: -612.306930
where:
bonds (distance) C4'-P energy: -113.697
bonds (distance) P-C4' energy: -108.767
flat angles C4'-P-C4' energy: -123.824
flat angles P-C4'-P energy: -89.705
tors. eta vs tors. theta energy: -176.314
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: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1902.740411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.740411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.740411 (E_RNA)
where:
Base-Base interactions energy: -1332.778
where: short stacking energy: -527.804
Base-Backbone interact. energy: -5.465
local terms energy: -564.497151
where:
bonds (distance) C4'-P energy: -110.949
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -123.310
flat angles P-C4'-P energy: -74.481
tors. eta vs tors. theta energy: -153.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1827.368268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.368268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.368268 (E_RNA)
where:
Base-Base interactions energy: -1259.412
where: short stacking energy: -523.624
Base-Backbone interact. energy: 1.944
local terms energy: -569.900512
where:
bonds (distance) C4'-P energy: -109.129
bonds (distance) P-C4' energy: -117.981
flat angles C4'-P-C4' energy: -117.991
flat angles P-C4'-P energy: -80.465
tors. eta vs tors. theta energy: -144.334
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: 426
Temperature: 1.100000
Total energy: -1634.453340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.453340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.453340 (E_RNA)
where:
Base-Base interactions energy: -1075.282
where: short stacking energy: -475.360
Base-Backbone interact. energy: -0.048
local terms energy: -559.124039
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -116.997
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -84.755
tors. eta vs tors. theta energy: -135.337
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1536.393823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.393823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.393823 (E_RNA)
where:
Base-Base interactions energy: -999.119
where: short stacking energy: -465.675
Base-Backbone interact. energy: 1.648
local terms energy: -538.923257
where:
bonds (distance) C4'-P energy: -95.485
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -108.502
flat angles P-C4'-P energy: -91.103
tors. eta vs tors. theta energy: -133.339
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1376.863268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.863268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.863268 (E_RNA)
where:
Base-Base interactions energy: -912.272
where: short stacking energy: -427.191
Base-Backbone interact. energy: -0.870
local terms energy: -463.720618
where:
bonds (distance) C4'-P energy: -98.729
bonds (distance) P-C4' energy: -96.884
flat angles C4'-P-C4' energy: -106.428
flat angles P-C4'-P energy: -64.000
tors. eta vs tors. theta energy: -97.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1191.012487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.012487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.012487 (E_RNA)
where:
Base-Base interactions energy: -791.309
where: short stacking energy: -338.896
Base-Backbone interact. energy: -2.118
local terms energy: -397.586213
where:
bonds (distance) C4'-P energy: -80.635
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -88.298
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -75.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -922.740320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.740320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.740320 (E_RNA)
where:
Base-Base interactions energy: -533.797
where: short stacking energy: -271.812
Base-Backbone interact. energy: 1.874
local terms energy: -390.817521
where:
bonds (distance) C4'-P energy: -100.752
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -64.688
tors. eta vs tors. theta energy: -34.031
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: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -563.762550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.762550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.762550 (E_RNA)
where:
Base-Base interactions energy: -296.668
where: short stacking energy: -187.558
Base-Backbone interact. energy: 2.225
local terms energy: -269.320025
where:
bonds (distance) C4'-P energy: -75.252
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -7.866
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: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2076.166445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.166445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.166445 (E_RNA)
where:
Base-Base interactions energy: -1437.755
where: short stacking energy: -581.998
Base-Backbone interact. energy: -3.004
local terms energy: -635.406803
where:
bonds (distance) C4'-P energy: -129.120
bonds (distance) P-C4' energy: -116.460
flat angles C4'-P-C4' energy: -135.943
flat angles P-C4'-P energy: -86.584
tors. eta vs tors. theta energy: -167.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1990.079149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.079149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.079149 (E_RNA)
where:
Base-Base interactions energy: -1352.676
where: short stacking energy: -570.864
Base-Backbone interact. energy: -8.677
local terms energy: -628.725706
where:
bonds (distance) C4'-P energy: -121.381
bonds (distance) P-C4' energy: -123.952
flat angles C4'-P-C4' energy: -129.277
flat angles P-C4'-P energy: -87.838
tors. eta vs tors. theta energy: -166.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1927.251271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.251271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.251271 (E_RNA)
where:
Base-Base interactions energy: -1350.285
where: short stacking energy: -532.564
Base-Backbone interact. energy: -4.161
local terms energy: -572.805204
where:
bonds (distance) C4'-P energy: -96.073
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -124.521
flat angles P-C4'-P energy: -93.611
tors. eta vs tors. theta energy: -158.336
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: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1784.240943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.240943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.240943 (E_RNA)
where:
Base-Base interactions energy: -1233.235
where: short stacking energy: -499.015
Base-Backbone interact. energy: -1.772
local terms energy: -549.234267
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -134.962
flat angles P-C4'-P energy: -79.425
tors. eta vs tors. theta energy: -139.426
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1658.717990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.717990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.717990 (E_RNA)
where:
Base-Base interactions energy: -1126.732
where: short stacking energy: -501.467
Base-Backbone interact. energy: -1.075
local terms energy: -530.911411
where:
bonds (distance) C4'-P energy: -76.739
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -115.455
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -154.828
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: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1490.347995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.347995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.347995 (E_RNA)
where:
Base-Base interactions energy: -991.173
where: short stacking energy: -438.066
Base-Backbone interact. energy: -2.357
local terms energy: -496.817462
where:
bonds (distance) C4'-P energy: -88.930
bonds (distance) P-C4' energy: -98.207
flat angles C4'-P-C4' energy: -122.239
flat angles P-C4'-P energy: -71.167
tors. eta vs tors. theta energy: -116.275
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: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1408.892757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.892757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.892757 (E_RNA)
where:
Base-Base interactions energy: -917.442
where: short stacking energy: -428.944
Base-Backbone interact. energy: -1.781
local terms energy: -489.669442
where:
bonds (distance) C4'-P energy: -108.003
bonds (distance) P-C4' energy: -91.466
flat angles C4'-P-C4' energy: -109.663
flat angles P-C4'-P energy: -65.070
tors. eta vs tors. theta energy: -115.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1169.142180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.142180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.142180 (E_RNA)
where:
Base-Base interactions energy: -754.458
where: short stacking energy: -338.745
Base-Backbone interact. energy: -0.053
local terms energy: -414.631258
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -104.163
flat angles C4'-P-C4' energy: -94.468
flat angles P-C4'-P energy: -47.969
tors. eta vs tors. theta energy: -68.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -936.830992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.830992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.830992 (E_RNA)
where:
Base-Base interactions energy: -540.722
where: short stacking energy: -241.444
Base-Backbone interact. energy: -4.085
local terms energy: -392.023318
where:
bonds (distance) C4'-P energy: -91.483
bonds (distance) P-C4' energy: -114.289
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -34.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -533.133538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.133538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.133538 (E_RNA)
where:
Base-Base interactions energy: -219.523
where: short stacking energy: -146.282
Base-Backbone interact. energy: -4.403
local terms energy: -309.207142
where:
bonds (distance) C4'-P energy: -94.676
bonds (distance) P-C4' energy: -100.606
flat angles C4'-P-C4' energy: -76.590
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: 2.549
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: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2078.388909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.388909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.388909 (E_RNA)
where:
Base-Base interactions energy: -1451.772
where: short stacking energy: -603.389
Base-Backbone interact. energy: -4.303
local terms energy: -622.313395
where:
bonds (distance) C4'-P energy: -104.457
bonds (distance) P-C4' energy: -121.296
flat angles C4'-P-C4' energy: -138.299
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -167.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1976.239442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.239442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.239442 (E_RNA)
where:
Base-Base interactions energy: -1350.529
where: short stacking energy: -565.598
Base-Backbone interact. energy: -3.376
local terms energy: -622.334913
where:
bonds (distance) C4'-P energy: -97.291
bonds (distance) P-C4' energy: -122.483
flat angles C4'-P-C4' energy: -129.918
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -173.248
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: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1940.359319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.359319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.359319 (E_RNA)
where:
Base-Base interactions energy: -1351.858
where: short stacking energy: -543.129
Base-Backbone interact. energy: -5.568
local terms energy: -582.932812
where:
bonds (distance) C4'-P energy: -105.029
bonds (distance) P-C4' energy: -109.185
flat angles C4'-P-C4' energy: -135.567
flat angles P-C4'-P energy: -83.377
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: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1842.878871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.878871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.878871 (E_RNA)
where:
Base-Base interactions energy: -1265.247
where: short stacking energy: -524.939
Base-Backbone interact. energy: -4.874
local terms energy: -572.758275
where:
bonds (distance) C4'-P energy: -107.173
bonds (distance) P-C4' energy: -113.184
flat angles C4'-P-C4' energy: -116.441
flat angles P-C4'-P energy: -82.137
tors. eta vs tors. theta energy: -153.823
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: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1729.233208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.233208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.233208 (E_RNA)
where:
Base-Base interactions energy: -1167.683
where: short stacking energy: -519.415
Base-Backbone interact. energy: -0.466
local terms energy: -561.085172
where:
bonds (distance) C4'-P energy: -108.263
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -78.339
tors. eta vs tors. theta energy: -146.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1502.984627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.984627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.984627 (E_RNA)
where:
Base-Base interactions energy: -1006.777
where: short stacking energy: -464.196
Base-Backbone interact. energy: -1.396
local terms energy: -494.811539
where:
bonds (distance) C4'-P energy: -87.805
bonds (distance) P-C4' energy: -110.484
flat angles C4'-P-C4' energy: -121.967
flat angles P-C4'-P energy: -66.512
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: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1368.133905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.133905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.133905 (E_RNA)
where:
Base-Base interactions energy: -886.799
where: short stacking energy: -379.179
Base-Backbone interact. energy: 0.796
local terms energy: -482.130100
where:
bonds (distance) C4'-P energy: -98.750
bonds (distance) P-C4' energy: -96.576
flat angles C4'-P-C4' energy: -114.651
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -93.479
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: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1130.777484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.777484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.777484 (E_RNA)
where:
Base-Base interactions energy: -742.038
where: short stacking energy: -342.213
Base-Backbone interact. energy: -1.687
local terms energy: -387.052640
where:
bonds (distance) C4'-P energy: -89.684
bonds (distance) P-C4' energy: -98.147
flat angles C4'-P-C4' energy: -99.222
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -73.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -949.195762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.195762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.195762 (E_RNA)
where:
Base-Base interactions energy: -575.178
where: short stacking energy: -262.394
Base-Backbone interact. energy: 0.067
local terms energy: -374.085295
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -87.686
flat angles C4'-P-C4' energy: -104.275
flat angles P-C4'-P energy: -56.744
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -544.268715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.268715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.268715 (E_RNA)
where:
Base-Base interactions energy: -236.525
where: short stacking energy: -158.393
Base-Backbone interact. energy: 2.351
local terms energy: -310.094426
where:
bonds (distance) C4'-P energy: -83.403
bonds (distance) P-C4' energy: -106.147
flat angles C4'-P-C4' energy: -87.987
flat angles P-C4'-P energy: -63.337
tors. eta vs tors. theta energy: 30.778
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: 429
Temperature: 0.900000
Total energy: -2085.074913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.074913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.074913 (E_RNA)
where:
Base-Base interactions energy: -1453.659
where: short stacking energy: -587.651
Base-Backbone interact. energy: -3.971
local terms energy: -627.445770
where:
bonds (distance) C4'-P energy: -116.368
bonds (distance) P-C4' energy: -113.051
flat angles C4'-P-C4' energy: -135.894
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -177.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1995.529602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.529602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.529602 (E_RNA)
where:
Base-Base interactions energy: -1355.182
where: short stacking energy: -565.201
Base-Backbone interact. energy: -0.147
local terms energy: -640.200855
where:
bonds (distance) C4'-P energy: -111.251
bonds (distance) P-C4' energy: -120.105
flat angles C4'-P-C4' energy: -141.195
flat angles P-C4'-P energy: -99.355
tors. eta vs tors. theta energy: -168.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1940.205046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.205046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.205046 (E_RNA)
where:
Base-Base interactions energy: -1352.405
where: short stacking energy: -545.721
Base-Backbone interact. energy: -3.939
local terms energy: -583.860536
where:
bonds (distance) C4'-P energy: -108.985
bonds (distance) P-C4' energy: -113.434
flat angles C4'-P-C4' energy: -122.025
flat angles P-C4'-P energy: -85.481
tors. eta vs tors. theta energy: -153.935
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: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1846.905265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.905265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.905265 (E_RNA)
where:
Base-Base interactions energy: -1266.626
where: short stacking energy: -539.231
Base-Backbone interact. energy: -1.986
local terms energy: -578.293768
where:
bonds (distance) C4'-P energy: -106.045
bonds (distance) P-C4' energy: -102.508
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -84.310
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: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1666.292770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.292770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.292770 (E_RNA)
where:
Base-Base interactions energy: -1124.780
where: short stacking energy: -499.089
Base-Backbone interact. energy: 3.457
local terms energy: -544.970097
where:
bonds (distance) C4'-P energy: -95.321
bonds (distance) P-C4' energy: -106.097
flat angles C4'-P-C4' energy: -124.005
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -140.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1515.044349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.044349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.044349 (E_RNA)
where:
Base-Base interactions energy: -986.589
where: short stacking energy: -442.319
Base-Backbone interact. energy: 2.825
local terms energy: -531.280905
where:
bonds (distance) C4'-P energy: -109.040
bonds (distance) P-C4' energy: -115.893
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -78.986
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: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1362.459335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.459335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.459335 (E_RNA)
where:
Base-Base interactions energy: -917.921
where: short stacking energy: -405.265
Base-Backbone interact. energy: 0.183
local terms energy: -444.721553
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -117.172
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -97.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1174.053119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.053119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.053119 (E_RNA)
where:
Base-Base interactions energy: -734.014
where: short stacking energy: -345.445
Base-Backbone interact. energy: -1.997
local terms energy: -438.042347
where:
bonds (distance) C4'-P energy: -110.923
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -97.273
flat angles P-C4'-P energy: -67.185
tors. eta vs tors. theta energy: -66.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -919.348205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.348205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.348205 (E_RNA)
where:
Base-Base interactions energy: -542.853
where: short stacking energy: -255.333
Base-Backbone interact. energy: -0.787
local terms energy: -375.708112
where:
bonds (distance) C4'-P energy: -100.323
bonds (distance) P-C4' energy: -101.853
flat angles C4'-P-C4' energy: -96.251
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -35.080
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: 429
Temperature: 1.350000
Total energy: -585.377699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.377699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.377699 (E_RNA)
where:
Base-Base interactions energy: -273.584
where: short stacking energy: -174.253
Base-Backbone interact. energy: -0.668
local terms energy: -311.125689
where:
bonds (distance) C4'-P energy: -83.838
bonds (distance) P-C4' energy: -92.474
flat angles C4'-P-C4' energy: -91.467
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -3.876
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2096.399473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.399473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.399473 (E_RNA)
where:
Base-Base interactions energy: -1453.246
where: short stacking energy: -569.967
Base-Backbone interact. energy: -5.367
local terms energy: -637.786791
where:
bonds (distance) C4'-P energy: -111.286
bonds (distance) P-C4' energy: -128.501
flat angles C4'-P-C4' energy: -128.402
flat angles P-C4'-P energy: -95.786
tors. eta vs tors. theta energy: -173.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1960.138501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.138501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.138501 (E_RNA)
where:
Base-Base interactions energy: -1353.283
where: short stacking energy: -575.065
Base-Backbone interact. energy: -3.772
local terms energy: -603.083203
where:
bonds (distance) C4'-P energy: -106.390
bonds (distance) P-C4' energy: -111.991
flat angles C4'-P-C4' energy: -133.126
flat angles P-C4'-P energy: -78.023
tors. eta vs tors. theta energy: -173.553
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: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1948.190671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.190671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.190671 (E_RNA)
where:
Base-Base interactions energy: -1379.130
where: short stacking energy: -543.997
Base-Backbone interact. energy: -5.345
local terms energy: -563.715646
where:
bonds (distance) C4'-P energy: -107.064
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -132.577
flat angles P-C4'-P energy: -58.312
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: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1808.178616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.178616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.178616 (E_RNA)
where:
Base-Base interactions energy: -1278.445
where: short stacking energy: -543.758
Base-Backbone interact. energy: 0.358
local terms energy: -530.092094
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -119.979
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: -149.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1672.891594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.891594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.891594 (E_RNA)
where:
Base-Base interactions energy: -1134.351
where: short stacking energy: -506.028
Base-Backbone interact. energy: -1.868
local terms energy: -536.673208
where:
bonds (distance) C4'-P energy: -101.578
bonds (distance) P-C4' energy: -102.605
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -70.146
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: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1517.505765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.505765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.505765 (E_RNA)
where:
Base-Base interactions energy: -992.253
where: short stacking energy: -444.906
Base-Backbone interact. energy: -2.466
local terms energy: -522.787170
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -120.304
flat angles C4'-P-C4' energy: -117.147
flat angles P-C4'-P energy: -77.825
tors. eta vs tors. theta energy: -115.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1385.005733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.005733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.005733 (E_RNA)
where:
Base-Base interactions energy: -912.051
where: short stacking energy: -397.357
Base-Backbone interact. energy: -1.362
local terms energy: -471.592526
where:
bonds (distance) C4'-P energy: -95.753
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -104.919
flat angles P-C4'-P energy: -76.097
tors. eta vs tors. theta energy: -101.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1167.872103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.872103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.872103 (E_RNA)
where:
Base-Base interactions energy: -742.952
where: short stacking energy: -328.383
Base-Backbone interact. energy: -0.678
local terms energy: -424.242169
where:
bonds (distance) C4'-P energy: -103.906
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -55.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -968.410490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.410490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.410490 (E_RNA)
where:
Base-Base interactions energy: -571.512
where: short stacking energy: -253.437
Base-Backbone interact. energy: -2.402
local terms energy: -394.497289
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -71.286
tors. eta vs tors. theta energy: -37.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -546.178657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.178657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.178657 (E_RNA)
where:
Base-Base interactions energy: -271.644
where: short stacking energy: -172.313
Base-Backbone interact. energy: 0.922
local terms energy: -275.456116
where:
bonds (distance) C4'-P energy: -88.086
bonds (distance) P-C4' energy: -98.936
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -44.726
tors. eta vs tors. theta energy: 21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2090.787098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.787098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.787098 (E_RNA)
where:
Base-Base interactions energy: -1448.588
where: short stacking energy: -585.212
Base-Backbone interact. energy: -5.071
local terms energy: -637.127897
where:
bonds (distance) C4'-P energy: -119.529
bonds (distance) P-C4' energy: -105.915
flat angles C4'-P-C4' energy: -139.197
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -176.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1965.472778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.472778 (E_RNA)
where:
Base-Base interactions energy: -1357.594
where: short stacking energy: -561.109
Base-Backbone interact. energy: 0.645
local terms energy: -608.524632
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -117.684
flat angles C4'-P-C4' energy: -125.880
flat angles P-C4'-P energy: -89.038
tors. eta vs tors. theta energy: -164.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1911.841128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.841128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.841128 (E_RNA)
where:
Base-Base interactions energy: -1329.971
where: short stacking energy: -533.357
Base-Backbone interact. energy: -6.273
local terms energy: -575.596515
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -108.774
flat angles C4'-P-C4' energy: -113.413
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -148.486
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: 431
Temperature: 1.050000
Total energy: -1788.600663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.600663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.600663 (E_RNA)
where:
Base-Base interactions energy: -1233.357
where: short stacking energy: -514.355
Base-Backbone interact. energy: -4.103
local terms energy: -551.140774
where:
bonds (distance) C4'-P energy: -102.260
bonds (distance) P-C4' energy: -111.224
flat angles C4'-P-C4' energy: -110.504
flat angles P-C4'-P energy: -85.087
tors. eta vs tors. theta energy: -142.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1676.399900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.399900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.399900 (E_RNA)
where:
Base-Base interactions energy: -1110.298
where: short stacking energy: -507.272
Base-Backbone interact. energy: -1.661
local terms energy: -564.440296
where:
bonds (distance) C4'-P energy: -110.037
bonds (distance) P-C4' energy: -102.004
flat angles C4'-P-C4' energy: -126.738
flat angles P-C4'-P energy: -86.874
tors. eta vs tors. theta energy: -138.788
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: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1479.845453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.845453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.845453 (E_RNA)
where:
Base-Base interactions energy: -959.808
where: short stacking energy: -451.253
Base-Backbone interact. energy: -1.363
local terms energy: -518.673736
where:
bonds (distance) C4'-P energy: -104.995
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -114.501
flat angles P-C4'-P energy: -83.287
tors. eta vs tors. theta energy: -121.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1384.618675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.618675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.618675 (E_RNA)
where:
Base-Base interactions energy: -926.145
where: short stacking energy: -402.128
Base-Backbone interact. energy: 2.437
local terms energy: -460.910640
where:
bonds (distance) C4'-P energy: -117.299
bonds (distance) P-C4' energy: -99.351
flat angles C4'-P-C4' energy: -87.514
flat angles P-C4'-P energy: -64.294
tors. eta vs tors. theta energy: -92.453
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: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1197.360647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.360647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.360647 (E_RNA)
where:
Base-Base interactions energy: -743.949
where: short stacking energy: -358.148
Base-Backbone interact. energy: -0.651
local terms energy: -452.760952
where:
bonds (distance) C4'-P energy: -98.776
bonds (distance) P-C4' energy: -111.096
flat angles C4'-P-C4' energy: -88.387
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -84.516
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: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -931.912624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.912624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.912624 (E_RNA)
where:
Base-Base interactions energy: -565.275
where: short stacking energy: -234.299
Base-Backbone interact. energy: -0.071
local terms energy: -366.566607
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -107.471
flat angles C4'-P-C4' energy: -78.224
flat angles P-C4'-P energy: -71.299
tors. eta vs tors. theta energy: -9.440
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -593.941010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.941010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.941010 (E_RNA)
where:
Base-Base interactions energy: -260.742
where: short stacking energy: -156.952
Base-Backbone interact. energy: -0.874
local terms energy: -332.324983
where:
bonds (distance) C4'-P energy: -83.338
bonds (distance) P-C4' energy: -102.346
flat angles C4'-P-C4' energy: -67.830
flat angles P-C4'-P energy: -74.224
tors. eta vs tors. theta energy: -4.588
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: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2086.254192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.254192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.254192 (E_RNA)
where:
Base-Base interactions energy: -1461.645
where: short stacking energy: -595.211
Base-Backbone interact. energy: 1.835
local terms energy: -626.443797
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -133.973
flat angles P-C4'-P energy: -99.396
tors. eta vs tors. theta energy: -174.977
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1975.156951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.156951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.156951 (E_RNA)
where:
Base-Base interactions energy: -1360.645
where: short stacking energy: -567.472
Base-Backbone interact. energy: 0.318
local terms energy: -614.829955
where:
bonds (distance) C4'-P energy: -115.441
bonds (distance) P-C4' energy: -108.487
flat angles C4'-P-C4' energy: -135.413
flat angles P-C4'-P energy: -93.902
tors. eta vs tors. theta energy: -161.586
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: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1956.309440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.309440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.309440 (E_RNA)
where:
Base-Base interactions energy: -1387.989
where: short stacking energy: -552.885
Base-Backbone interact. energy: -0.397
local terms energy: -567.922534
where:
bonds (distance) C4'-P energy: -105.581
bonds (distance) P-C4' energy: -107.378
flat angles C4'-P-C4' energy: -126.266
flat angles P-C4'-P energy: -73.014
tors. eta vs tors. theta energy: -155.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1807.602514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.602514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.602514 (E_RNA)
where:
Base-Base interactions energy: -1243.587
where: short stacking energy: -525.130
Base-Backbone interact. energy: -1.310
local terms energy: -562.706342
where:
bonds (distance) C4'-P energy: -105.493
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -128.064
flat angles P-C4'-P energy: -68.166
tors. eta vs tors. theta energy: -155.968
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1714.980617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.980617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.980617 (E_RNA)
where:
Base-Base interactions energy: -1163.605
where: short stacking energy: -500.156
Base-Backbone interact. energy: -1.669
local terms energy: -549.706091
where:
bonds (distance) C4'-P energy: -92.638
bonds (distance) P-C4' energy: -107.946
flat angles C4'-P-C4' energy: -116.250
flat angles P-C4'-P energy: -92.916
tors. eta vs tors. theta energy: -139.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1465.553254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.553254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.553254 (E_RNA)
where:
Base-Base interactions energy: -987.915
where: short stacking energy: -445.109
Base-Backbone interact. energy: 1.453
local terms energy: -479.091530
where:
bonds (distance) C4'-P energy: -102.348
bonds (distance) P-C4' energy: -93.135
flat angles C4'-P-C4' energy: -102.084
flat angles P-C4'-P energy: -71.059
tors. eta vs tors. theta energy: -110.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1323.405793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.405793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.405793 (E_RNA)
where:
Base-Base interactions energy: -880.434
where: short stacking energy: -393.459
Base-Backbone interact. energy: 2.481
local terms energy: -445.453272
where:
bonds (distance) C4'-P energy: -96.159
bonds (distance) P-C4' energy: -104.630
flat angles C4'-P-C4' energy: -91.726
flat angles P-C4'-P energy: -59.605
tors. eta vs tors. theta energy: -93.334
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: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1141.306001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.306001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.306001 (E_RNA)
where:
Base-Base interactions energy: -728.955
where: short stacking energy: -345.681
Base-Backbone interact. energy: 6.732
local terms energy: -419.083492
where:
bonds (distance) C4'-P energy: -89.234
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -96.196
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -73.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -925.989973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.989973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.989973 (E_RNA)
where:
Base-Base interactions energy: -576.515
where: short stacking energy: -259.035
Base-Backbone interact. energy: 0.662
local terms energy: -350.137133
where:
bonds (distance) C4'-P energy: -86.394
bonds (distance) P-C4' energy: -105.493
flat angles C4'-P-C4' energy: -78.772
flat angles P-C4'-P energy: -56.978
tors. eta vs tors. theta energy: -22.501
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: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -671.752087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.752087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.752087 (E_RNA)
where:
Base-Base interactions energy: -368.605
where: short stacking energy: -181.163
Base-Backbone interact. energy: 1.296
local terms energy: -304.444075
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -94.798
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -48.487
tors. eta vs tors. theta energy: 4.128
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2073.897655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.897655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.897655 (E_RNA)
where:
Base-Base interactions energy: -1458.329
where: short stacking energy: -594.305
Base-Backbone interact. energy: -1.823
local terms energy: -613.745671
where:
bonds (distance) C4'-P energy: -109.898
bonds (distance) P-C4' energy: -105.806
flat angles C4'-P-C4' energy: -135.919
flat angles P-C4'-P energy: -87.629
tors. eta vs tors. theta energy: -174.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1985.526741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.526741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.526741 (E_RNA)
where:
Base-Base interactions energy: -1389.063
where: short stacking energy: -559.554
Base-Backbone interact. energy: -2.949
local terms energy: -593.514980
where:
bonds (distance) C4'-P energy: -112.752
bonds (distance) P-C4' energy: -114.246
flat angles C4'-P-C4' energy: -131.429
flat angles P-C4'-P energy: -79.583
tors. eta vs tors. theta energy: -155.505
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: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1924.092881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.092881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.092881 (E_RNA)
where:
Base-Base interactions energy: -1345.165
where: short stacking energy: -542.311
Base-Backbone interact. energy: -1.401
local terms energy: -577.526809
where:
bonds (distance) C4'-P energy: -115.166
bonds (distance) P-C4' energy: -111.400
flat angles C4'-P-C4' energy: -127.129
flat angles P-C4'-P energy: -73.360
tors. eta vs tors. theta energy: -150.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1798.602629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.602629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.602629 (E_RNA)
where:
Base-Base interactions energy: -1238.633
where: short stacking energy: -516.247
Base-Backbone interact. energy: -0.451
local terms energy: -559.518097
where:
bonds (distance) C4'-P energy: -104.548
bonds (distance) P-C4' energy: -113.845
flat angles C4'-P-C4' energy: -114.195
flat angles P-C4'-P energy: -84.187
tors. eta vs tors. theta energy: -142.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1678.951705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.951705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.951705 (E_RNA)
where:
Base-Base interactions energy: -1132.508
where: short stacking energy: -498.614
Base-Backbone interact. energy: -1.067
local terms energy: -545.376607
where:
bonds (distance) C4'-P energy: -109.224
bonds (distance) P-C4' energy: -101.604
flat angles C4'-P-C4' energy: -114.491
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -148.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1482.984392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.984392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.984392 (E_RNA)
where:
Base-Base interactions energy: -998.674
where: short stacking energy: -442.616
Base-Backbone interact. energy: 0.928
local terms energy: -485.238488
where:
bonds (distance) C4'-P energy: -89.977
bonds (distance) P-C4' energy: -101.326
flat angles C4'-P-C4' energy: -107.645
flat angles P-C4'-P energy: -69.677
tors. eta vs tors. theta energy: -116.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1305.793638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.793638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.793638 (E_RNA)
where:
Base-Base interactions energy: -803.840
where: short stacking energy: -349.050
Base-Backbone interact. energy: 0.239
local terms energy: -502.192936
where:
bonds (distance) C4'-P energy: -99.990
bonds (distance) P-C4' energy: -118.931
flat angles C4'-P-C4' energy: -115.979
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -86.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1175.665735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.665735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.665735 (E_RNA)
where:
Base-Base interactions energy: -742.928
where: short stacking energy: -354.241
Base-Backbone interact. energy: -0.158
local terms energy: -432.579453
where:
bonds (distance) C4'-P energy: -70.905
bonds (distance) P-C4' energy: -107.027
flat angles C4'-P-C4' energy: -108.870
flat angles P-C4'-P energy: -66.966
tors. eta vs tors. theta energy: -78.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -957.177445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.177445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.177445 (E_RNA)
where:
Base-Base interactions energy: -585.570
where: short stacking energy: -276.608
Base-Backbone interact. energy: -1.080
local terms energy: -370.527318
where:
bonds (distance) C4'-P energy: -108.505
bonds (distance) P-C4' energy: -84.053
flat angles C4'-P-C4' energy: -99.256
flat angles P-C4'-P energy: -31.298
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -678.985991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.985991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.985991 (E_RNA)
where:
Base-Base interactions energy: -356.881
where: short stacking energy: -175.304
Base-Backbone interact. energy: 2.269
local terms energy: -324.374834
where:
bonds (distance) C4'-P energy: -94.311
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -79.280
flat angles P-C4'-P energy: -48.847
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2077.537249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.537249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.537249 (E_RNA)
where:
Base-Base interactions energy: -1451.761
where: short stacking energy: -599.207
Base-Backbone interact. energy: -2.122
local terms energy: -623.654562
where:
bonds (distance) C4'-P energy: -105.481
bonds (distance) P-C4' energy: -128.879
flat angles C4'-P-C4' energy: -129.865
flat angles P-C4'-P energy: -79.352
tors. eta vs tors. theta energy: -180.078
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: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1992.578476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.578476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.578476 (E_RNA)
where:
Base-Base interactions energy: -1372.637
where: short stacking energy: -564.632
Base-Backbone interact. energy: -3.316
local terms energy: -616.625885
where:
bonds (distance) C4'-P energy: -117.166
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -91.865
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: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1923.460720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.460720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.460720 (E_RNA)
where:
Base-Base interactions energy: -1343.287
where: short stacking energy: -533.388
Base-Backbone interact. energy: 2.442
local terms energy: -582.616252
where:
bonds (distance) C4'-P energy: -118.724
bonds (distance) P-C4' energy: -107.149
flat angles C4'-P-C4' energy: -125.479
flat angles P-C4'-P energy: -87.305
tors. eta vs tors. theta energy: -143.959
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: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1796.900411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.900411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.900411 (E_RNA)
where:
Base-Base interactions energy: -1242.065
where: short stacking energy: -531.872
Base-Backbone interact. energy: -1.568
local terms energy: -553.267426
where:
bonds (distance) C4'-P energy: -94.512
bonds (distance) P-C4' energy: -112.430
flat angles C4'-P-C4' energy: -121.879
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -158.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1683.690578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.690578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.690578 (E_RNA)
where:
Base-Base interactions energy: -1132.376
where: short stacking energy: -511.122
Base-Backbone interact. energy: -0.977
local terms energy: -550.337470
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -105.792
flat angles C4'-P-C4' energy: -131.062
flat angles P-C4'-P energy: -70.032
tors. eta vs tors. theta energy: -141.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1482.180414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.180414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.180414 (E_RNA)
where:
Base-Base interactions energy: -998.233
where: short stacking energy: -439.977
Base-Backbone interact. energy: -0.935
local terms energy: -483.012690
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -103.984
flat angles C4'-P-C4' energy: -107.866
flat angles P-C4'-P energy: -70.682
tors. eta vs tors. theta energy: -109.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1323.022695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.022695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.022695 (E_RNA)
where:
Base-Base interactions energy: -875.195
where: short stacking energy: -387.846
Base-Backbone interact. energy: 2.492
local terms energy: -450.319974
where:
bonds (distance) C4'-P energy: -99.704
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -97.435
flat angles P-C4'-P energy: -68.905
tors. eta vs tors. theta energy: -88.937
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: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1178.638990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.638990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.638990 (E_RNA)
where:
Base-Base interactions energy: -751.465
where: short stacking energy: -351.391
Base-Backbone interact. energy: 2.257
local terms energy: -429.430834
where:
bonds (distance) C4'-P energy: -77.841
bonds (distance) P-C4' energy: -105.228
flat angles C4'-P-C4' energy: -98.856
flat angles P-C4'-P energy: -64.674
tors. eta vs tors. theta energy: -82.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1012.737208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.737208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.737208 (E_RNA)
where:
Base-Base interactions energy: -627.614
where: short stacking energy: -303.998
Base-Backbone interact. energy: 0.613
local terms energy: -385.736524
where:
bonds (distance) C4'-P energy: -103.315
bonds (distance) P-C4' energy: -93.692
flat angles C4'-P-C4' energy: -94.466
flat angles P-C4'-P energy: -49.118
tors. eta vs tors. theta energy: -45.147
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: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -714.195625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.195625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.195625 (E_RNA)
where:
Base-Base interactions energy: -388.596
where: short stacking energy: -201.018
Base-Backbone interact. energy: 1.299
local terms energy: -326.898849
where:
bonds (distance) C4'-P energy: -90.441
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -74.351
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2087.123024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.123024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.123024 (E_RNA)
where:
Base-Base interactions energy: -1453.455
where: short stacking energy: -610.650
Base-Backbone interact. energy: -4.676
local terms energy: -628.991660
where:
bonds (distance) C4'-P energy: -111.696
bonds (distance) P-C4' energy: -121.142
flat angles C4'-P-C4' energy: -133.806
flat angles P-C4'-P energy: -82.885
tors. eta vs tors. theta energy: -179.464
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1922.655872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.655872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.655872 (E_RNA)
where:
Base-Base interactions energy: -1359.003
where: short stacking energy: -526.639
Base-Backbone interact. energy: -4.471
local terms energy: -559.181277
where:
bonds (distance) C4'-P energy: -102.864
bonds (distance) P-C4' energy: -100.311
flat angles C4'-P-C4' energy: -124.085
flat angles P-C4'-P energy: -82.531
tors. eta vs tors. theta energy: -149.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1938.445908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.445908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.445908 (E_RNA)
where:
Base-Base interactions energy: -1345.376
where: short stacking energy: -550.187
Base-Backbone interact. energy: 1.035
local terms energy: -594.104209
where:
bonds (distance) C4'-P energy: -115.628
bonds (distance) P-C4' energy: -98.407
flat angles C4'-P-C4' energy: -131.299
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -153.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1810.345065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.345065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.345065 (E_RNA)
where:
Base-Base interactions energy: -1246.318
where: short stacking energy: -515.398
Base-Backbone interact. energy: 1.762
local terms energy: -565.789234
where:
bonds (distance) C4'-P energy: -98.256
bonds (distance) P-C4' energy: -115.283
flat angles C4'-P-C4' energy: -127.321
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -143.942
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: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1624.617058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.617058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.617058 (E_RNA)
where:
Base-Base interactions energy: -1094.559
where: short stacking energy: -490.063
Base-Backbone interact. energy: -0.211
local terms energy: -529.846261
where:
bonds (distance) C4'-P energy: -111.149
bonds (distance) P-C4' energy: -111.580
flat angles C4'-P-C4' energy: -108.463
flat angles P-C4'-P energy: -62.088
tors. eta vs tors. theta energy: -136.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1484.123582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.123582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.123582 (E_RNA)
where:
Base-Base interactions energy: -993.271
where: short stacking energy: -449.369
Base-Backbone interact. energy: -1.676
local terms energy: -489.176558
where:
bonds (distance) C4'-P energy: -93.821
bonds (distance) P-C4' energy: -108.209
flat angles C4'-P-C4' energy: -103.482
flat angles P-C4'-P energy: -64.261
tors. eta vs tors. theta energy: -119.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1288.107259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.107259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.107259 (E_RNA)
where:
Base-Base interactions energy: -813.357
where: short stacking energy: -352.537
Base-Backbone interact. energy: -0.883
local terms energy: -473.866975
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -99.359
flat angles C4'-P-C4' energy: -111.747
flat angles P-C4'-P energy: -60.089
tors. eta vs tors. theta energy: -87.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1173.092573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.092573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.092573 (E_RNA)
where:
Base-Base interactions energy: -754.240
where: short stacking energy: -339.067
Base-Backbone interact. energy: 1.240
local terms energy: -420.092529
where:
bonds (distance) C4'-P energy: -89.424
bonds (distance) P-C4' energy: -115.835
flat angles C4'-P-C4' energy: -109.012
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -65.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1007.814647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.814647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.814647 (E_RNA)
where:
Base-Base interactions energy: -632.668
where: short stacking energy: -302.048
Base-Backbone interact. energy: -4.767
local terms energy: -370.379448
where:
bonds (distance) C4'-P energy: -80.087
bonds (distance) P-C4' energy: -85.081
flat angles C4'-P-C4' energy: -97.260
flat angles P-C4'-P energy: -64.932
tors. eta vs tors. theta energy: -43.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -641.260451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.260451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.260451 (E_RNA)
where:
Base-Base interactions energy: -331.974
where: short stacking energy: -188.147
Base-Backbone interact. energy: -1.318
local terms energy: -307.968411
where:
bonds (distance) C4'-P energy: -99.093
bonds (distance) P-C4' energy: -93.297
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: 1.516
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2087.897045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.897045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.897045 (E_RNA)
where:
Base-Base interactions energy: -1443.492
where: short stacking energy: -598.721
Base-Backbone interact. energy: -1.540
local terms energy: -642.865136
where:
bonds (distance) C4'-P energy: -113.904
bonds (distance) P-C4' energy: -128.873
flat angles C4'-P-C4' energy: -133.411
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -175.068
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: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1963.010444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.010444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.010444 (E_RNA)
where:
Base-Base interactions energy: -1374.913
where: short stacking energy: -546.510
Base-Backbone interact. energy: -3.356
local terms energy: -584.741163
where:
bonds (distance) C4'-P energy: -101.737
bonds (distance) P-C4' energy: -96.913
flat angles C4'-P-C4' energy: -131.324
flat angles P-C4'-P energy: -92.936
tors. eta vs tors. theta energy: -161.831
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: 436
Temperature: 1.000000
Total energy: -1885.683400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.683400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.683400 (E_RNA)
where:
Base-Base interactions energy: -1290.373
where: short stacking energy: -545.057
Base-Backbone interact. energy: -0.399
local terms energy: -594.911450
where:
bonds (distance) C4'-P energy: -100.823
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -125.178
flat angles P-C4'-P energy: -92.714
tors. eta vs tors. theta energy: -168.202
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1876.676282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.676282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.676282 (E_RNA)
where:
Base-Base interactions energy: -1311.566
where: short stacking energy: -527.702
Base-Backbone interact. energy: -3.619
local terms energy: -561.491464
where:
bonds (distance) C4'-P energy: -116.829
bonds (distance) P-C4' energy: -113.019
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -59.350
tors. eta vs tors. theta energy: -149.141
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: 436
Temperature: 1.100000
Total energy: -1638.809743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.809743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.809743 (E_RNA)
where:
Base-Base interactions energy: -1120.434
where: short stacking energy: -485.899
Base-Backbone interact. energy: -2.960
local terms energy: -515.415958
where:
bonds (distance) C4'-P energy: -103.429
bonds (distance) P-C4' energy: -99.950
flat angles C4'-P-C4' energy: -108.495
flat angles P-C4'-P energy: -84.085
tors. eta vs tors. theta energy: -119.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1528.117551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.117551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.117551 (E_RNA)
where:
Base-Base interactions energy: -1022.045
where: short stacking energy: -464.255
Base-Backbone interact. energy: -2.797
local terms energy: -503.275242
where:
bonds (distance) C4'-P energy: -93.522
bonds (distance) P-C4' energy: -98.439
flat angles C4'-P-C4' energy: -115.012
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -114.552
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: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1342.257811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.257811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.257811 (E_RNA)
where:
Base-Base interactions energy: -873.457
where: short stacking energy: -400.248
Base-Backbone interact. energy: 4.061
local terms energy: -472.861888
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -106.160
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -71.585
tors. eta vs tors. theta energy: -98.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1078.129945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.129945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.129945 (E_RNA)
where:
Base-Base interactions energy: -664.879
where: short stacking energy: -308.633
Base-Backbone interact. energy: -0.943
local terms energy: -412.308174
where:
bonds (distance) C4'-P energy: -92.947
bonds (distance) P-C4' energy: -96.858
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -72.018
tors. eta vs tors. theta energy: -55.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -969.714846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.714846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.714846 (E_RNA)
where:
Base-Base interactions energy: -573.365
where: short stacking energy: -245.630
Base-Backbone interact. energy: 0.514
local terms energy: -396.863516
where:
bonds (distance) C4'-P energy: -114.798
bonds (distance) P-C4' energy: -108.926
flat angles C4'-P-C4' energy: -88.265
flat angles P-C4'-P energy: -59.767
tors. eta vs tors. theta energy: -25.108
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: 436
Temperature: 1.350000
Total energy: -644.648680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.648680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.648680 (E_RNA)
where:
Base-Base interactions energy: -321.812
where: short stacking energy: -183.023
Base-Backbone interact. energy: -3.001
local terms energy: -319.835170
where:
bonds (distance) C4'-P energy: -88.079
bonds (distance) P-C4' energy: -88.383
flat angles C4'-P-C4' energy: -87.131
flat angles P-C4'-P energy: -57.702
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2096.667921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.667921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.667921 (E_RNA)
where:
Base-Base interactions energy: -1449.283
where: short stacking energy: -603.841
Base-Backbone interact. energy: -4.003
local terms energy: -643.382128
where:
bonds (distance) C4'-P energy: -112.566
bonds (distance) P-C4' energy: -116.523
flat angles C4'-P-C4' energy: -129.245
flat angles P-C4'-P energy: -101.643
tors. eta vs tors. theta energy: -183.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1987.094380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.094380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.094380 (E_RNA)
where:
Base-Base interactions energy: -1394.703
where: short stacking energy: -558.323
Base-Backbone interact. energy: -4.705
local terms energy: -587.687289
where:
bonds (distance) C4'-P energy: -113.708
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -121.645
flat angles P-C4'-P energy: -70.588
tors. eta vs tors. theta energy: -167.686
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1910.825449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.825449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.825449 (E_RNA)
where:
Base-Base interactions energy: -1319.834
where: short stacking energy: -561.012
Base-Backbone interact. energy: -4.670
local terms energy: -586.321013
where:
bonds (distance) C4'-P energy: -110.110
bonds (distance) P-C4' energy: -117.879
flat angles C4'-P-C4' energy: -115.989
flat angles P-C4'-P energy: -75.355
tors. eta vs tors. theta energy: -166.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1828.103617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.103617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.103617 (E_RNA)
where:
Base-Base interactions energy: -1270.813
where: short stacking energy: -511.843
Base-Backbone interact. energy: -3.707
local terms energy: -553.583241
where:
bonds (distance) C4'-P energy: -106.107
bonds (distance) P-C4' energy: -105.365
flat angles C4'-P-C4' energy: -127.032
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -139.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1666.743495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.743495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.743495 (E_RNA)
where:
Base-Base interactions energy: -1137.261
where: short stacking energy: -509.148
Base-Backbone interact. energy: -1.076
local terms energy: -528.406327
where:
bonds (distance) C4'-P energy: -99.457
bonds (distance) P-C4' energy: -87.684
flat angles C4'-P-C4' energy: -133.871
flat angles P-C4'-P energy: -75.454
tors. eta vs tors. theta energy: -131.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1544.419094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.419094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.419094 (E_RNA)
where:
Base-Base interactions energy: -1037.449
where: short stacking energy: -481.745
Base-Backbone interact. energy: -1.536
local terms energy: -505.433810
where:
bonds (distance) C4'-P energy: -96.028
bonds (distance) P-C4' energy: -98.097
flat angles C4'-P-C4' energy: -95.918
flat angles P-C4'-P energy: -86.958
tors. eta vs tors. theta energy: -128.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1349.201018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.201018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.201018 (E_RNA)
where:
Base-Base interactions energy: -883.541
where: short stacking energy: -382.496
Base-Backbone interact. energy: -0.784
local terms energy: -464.876044
where:
bonds (distance) C4'-P energy: -102.392
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -92.445
flat angles P-C4'-P energy: -72.703
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: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1141.180360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.180360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.180360 (E_RNA)
where:
Base-Base interactions energy: -727.577
where: short stacking energy: -318.091
Base-Backbone interact. energy: -4.193
local terms energy: -409.410339
where:
bonds (distance) C4'-P energy: -98.337
bonds (distance) P-C4' energy: -99.535
flat angles C4'-P-C4' energy: -89.879
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -62.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -931.932710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.932710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.932710 (E_RNA)
where:
Base-Base interactions energy: -576.471
where: short stacking energy: -254.560
Base-Backbone interact. energy: -1.550
local terms energy: -353.912117
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -92.861
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -32.159
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: 437
Temperature: 1.350000
Total energy: -601.983356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.983356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.983356 (E_RNA)
where:
Base-Base interactions energy: -315.782
where: short stacking energy: -186.276
Base-Backbone interact. energy: -3.114
local terms energy: -283.087226
where:
bonds (distance) C4'-P energy: -81.789
bonds (distance) P-C4' energy: -104.412
flat angles C4'-P-C4' energy: -62.787
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: 6.496
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: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2081.239187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.239187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.239187 (E_RNA)
where:
Base-Base interactions energy: -1449.550
where: short stacking energy: -590.205
Base-Backbone interact. energy: -4.847
local terms energy: -626.841527
where:
bonds (distance) C4'-P energy: -116.719
bonds (distance) P-C4' energy: -114.614
flat angles C4'-P-C4' energy: -123.088
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -174.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1960.186523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.186523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.186523 (E_RNA)
where:
Base-Base interactions energy: -1386.188
where: short stacking energy: -545.933
Base-Backbone interact. energy: -3.506
local terms energy: -570.492729
where:
bonds (distance) C4'-P energy: -91.087
bonds (distance) P-C4' energy: -112.596
flat angles C4'-P-C4' energy: -132.220
flat angles P-C4'-P energy: -79.379
tors. eta vs tors. theta energy: -155.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1876.557345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.557345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.557345 (E_RNA)
where:
Base-Base interactions energy: -1292.745
where: short stacking energy: -541.623
Base-Backbone interact. energy: 1.931
local terms energy: -585.743426
where:
bonds (distance) C4'-P energy: -116.196
bonds (distance) P-C4' energy: -104.324
flat angles C4'-P-C4' energy: -128.206
flat angles P-C4'-P energy: -79.640
tors. eta vs tors. theta energy: -157.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1910.084225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.084225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.084225 (E_RNA)
where:
Base-Base interactions energy: -1313.485
where: short stacking energy: -521.035
Base-Backbone interact. energy: -3.393
local terms energy: -593.206210
where:
bonds (distance) C4'-P energy: -109.797
bonds (distance) P-C4' energy: -111.065
flat angles C4'-P-C4' energy: -129.269
flat angles P-C4'-P energy: -92.790
tors. eta vs tors. theta energy: -150.286
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: 438
Temperature: 1.100000
Total energy: -1677.494022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.494022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.494022 (E_RNA)
where:
Base-Base interactions energy: -1129.235
where: short stacking energy: -508.131
Base-Backbone interact. energy: -1.929
local terms energy: -546.329638
where:
bonds (distance) C4'-P energy: -101.897
bonds (distance) P-C4' energy: -104.698
flat angles C4'-P-C4' energy: -123.274
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -139.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1534.965964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.965964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.965964 (E_RNA)
where:
Base-Base interactions energy: -997.626
where: short stacking energy: -464.667
Base-Backbone interact. energy: -3.394
local terms energy: -533.945967
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -103.610
flat angles C4'-P-C4' energy: -117.628
flat angles P-C4'-P energy: -75.292
tors. eta vs tors. theta energy: -134.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1355.438955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.438955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.438955 (E_RNA)
where:
Base-Base interactions energy: -866.592
where: short stacking energy: -389.469
Base-Backbone interact. energy: -2.254
local terms energy: -486.593870
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -111.664
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -64.210
tors. eta vs tors. theta energy: -110.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1156.500342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.500342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.500342 (E_RNA)
where:
Base-Base interactions energy: -744.233
where: short stacking energy: -325.075
Base-Backbone interact. energy: -0.700
local terms energy: -411.566820
where:
bonds (distance) C4'-P energy: -97.679
bonds (distance) P-C4' energy: -100.259
flat angles C4'-P-C4' energy: -93.919
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -66.593
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: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1006.817760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.817760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.817760 (E_RNA)
where:
Base-Base interactions energy: -617.940
where: short stacking energy: -295.592
Base-Backbone interact. energy: 0.175
local terms energy: -389.052590
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -97.124
flat angles C4'-P-C4' energy: -100.200
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -52.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -689.729053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.729053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.729053 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -224.041
Base-Backbone interact. energy: 4.471
local terms energy: -337.816010
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -105.331
flat angles C4'-P-C4' energy: -87.511
flat angles P-C4'-P energy: -44.583
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2086.842896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.842896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.842896 (E_RNA)
where:
Base-Base interactions energy: -1461.011
where: short stacking energy: -587.737
Base-Backbone interact. energy: -5.289
local terms energy: -620.542831
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -113.549
flat angles C4'-P-C4' energy: -124.165
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -172.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1968.550709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.550709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.550709 (E_RNA)
where:
Base-Base interactions energy: -1377.915
where: short stacking energy: -559.594
Base-Backbone interact. energy: -2.851
local terms energy: -587.785392
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -108.713
flat angles C4'-P-C4' energy: -133.072
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -153.156
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: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1848.384365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.384365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.384365 (E_RNA)
where:
Base-Base interactions energy: -1271.974
where: short stacking energy: -525.348
Base-Backbone interact. energy: -3.217
local terms energy: -573.194028
where:
bonds (distance) C4'-P energy: -114.755
bonds (distance) P-C4' energy: -130.218
flat angles C4'-P-C4' energy: -112.764
flat angles P-C4'-P energy: -72.089
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: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1868.871223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.871223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.871223 (E_RNA)
where:
Base-Base interactions energy: -1303.102
where: short stacking energy: -538.718
Base-Backbone interact. energy: 0.703
local terms energy: -566.472089
where:
bonds (distance) C4'-P energy: -98.930
bonds (distance) P-C4' energy: -107.121
flat angles C4'-P-C4' energy: -132.441
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -158.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1675.778455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.778455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.778455 (E_RNA)
where:
Base-Base interactions energy: -1129.923
where: short stacking energy: -506.300
Base-Backbone interact. energy: -0.181
local terms energy: -545.675189
where:
bonds (distance) C4'-P energy: -100.434
bonds (distance) P-C4' energy: -102.478
flat angles C4'-P-C4' energy: -131.178
flat angles P-C4'-P energy: -71.452
tors. eta vs tors. theta energy: -140.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1491.832012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.832012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.832012 (E_RNA)
where:
Base-Base interactions energy: -993.495
where: short stacking energy: -429.765
Base-Backbone interact. energy: -1.966
local terms energy: -496.370492
where:
bonds (distance) C4'-P energy: -101.634
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -104.459
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -102.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1294.511606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.511606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.511606 (E_RNA)
where:
Base-Base interactions energy: -858.601
where: short stacking energy: -379.560
Base-Backbone interact. energy: -2.430
local terms energy: -433.481049
where:
bonds (distance) C4'-P energy: -84.572
bonds (distance) P-C4' energy: -87.226
flat angles C4'-P-C4' energy: -103.210
flat angles P-C4'-P energy: -69.460
tors. eta vs tors. theta energy: -89.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1166.675582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.675582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.675582 (E_RNA)
where:
Base-Base interactions energy: -769.375
where: short stacking energy: -347.370
Base-Backbone interact. energy: -2.717
local terms energy: -394.583296
where:
bonds (distance) C4'-P energy: -86.496
bonds (distance) P-C4' energy: -101.317
flat angles C4'-P-C4' energy: -93.014
flat angles P-C4'-P energy: -56.442
tors. eta vs tors. theta energy: -57.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1073.740440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.740440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.740440 (E_RNA)
where:
Base-Base interactions energy: -679.574
where: short stacking energy: -308.540
Base-Backbone interact. energy: 4.513
local terms energy: -398.679307
where:
bonds (distance) C4'-P energy: -90.906
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -100.064
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: -54.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -602.315993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.315993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.315993 (E_RNA)
where:
Base-Base interactions energy: -256.909
where: short stacking energy: -165.540
Base-Backbone interact. energy: -2.761
local terms energy: -342.646597
where:
bonds (distance) C4'-P energy: -100.004
bonds (distance) P-C4' energy: -92.122
flat angles C4'-P-C4' energy: -78.463
flat angles P-C4'-P energy: -69.498
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2110.792964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.792964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.792964 (E_RNA)
where:
Base-Base interactions energy: -1475.851
where: short stacking energy: -596.362
Base-Backbone interact. energy: -1.477
local terms energy: -633.464999
where:
bonds (distance) C4'-P energy: -111.713
bonds (distance) P-C4' energy: -114.633
flat angles C4'-P-C4' energy: -130.648
flat angles P-C4'-P energy: -92.322
tors. eta vs tors. theta energy: -184.149
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1972.510836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.510836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.510836 (E_RNA)
where:
Base-Base interactions energy: -1353.722
where: short stacking energy: -556.796
Base-Backbone interact. energy: -5.638
local terms energy: -613.151700
where:
bonds (distance) C4'-P energy: -115.455
bonds (distance) P-C4' energy: -127.932
flat angles C4'-P-C4' energy: -123.889
flat angles P-C4'-P energy: -86.486
tors. eta vs tors. theta energy: -159.389
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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1904.073136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.073136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.073136 (E_RNA)
where:
Base-Base interactions energy: -1321.891
where: short stacking energy: -539.743
Base-Backbone interact. energy: -4.283
local terms energy: -577.899493
where:
bonds (distance) C4'-P energy: -111.494
bonds (distance) P-C4' energy: -110.445
flat angles C4'-P-C4' energy: -124.209
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -156.630
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: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1783.105930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.105930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.105930 (E_RNA)
where:
Base-Base interactions energy: -1219.153
where: short stacking energy: -512.207
Base-Backbone interact. energy: -1.785
local terms energy: -562.168253
where:
bonds (distance) C4'-P energy: -110.064
bonds (distance) P-C4' energy: -107.740
flat angles C4'-P-C4' energy: -119.604
flat angles P-C4'-P energy: -76.401
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: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1695.492785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.492785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.492785 (E_RNA)
where:
Base-Base interactions energy: -1156.233
where: short stacking energy: -522.135
Base-Backbone interact. energy: -1.530
local terms energy: -537.729791
where:
bonds (distance) C4'-P energy: -87.690
bonds (distance) P-C4' energy: -107.338
flat angles C4'-P-C4' energy: -118.370
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -149.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1521.943374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.943374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.943374 (E_RNA)
where:
Base-Base interactions energy: -995.499
where: short stacking energy: -442.208
Base-Backbone interact. energy: -3.082
local terms energy: -523.362147
where:
bonds (distance) C4'-P energy: -106.399
bonds (distance) P-C4' energy: -107.748
flat angles C4'-P-C4' energy: -108.916
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -111.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1349.627802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.627802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.627802 (E_RNA)
where:
Base-Base interactions energy: -860.623
where: short stacking energy: -379.065
Base-Backbone interact. energy: -1.703
local terms energy: -487.301398
where:
bonds (distance) C4'-P energy: -83.655
bonds (distance) P-C4' energy: -114.629
flat angles C4'-P-C4' energy: -121.803
flat angles P-C4'-P energy: -69.783
tors. eta vs tors. theta energy: -97.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1167.751759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.751759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.751759 (E_RNA)
where:
Base-Base interactions energy: -720.100
where: short stacking energy: -310.189
Base-Backbone interact. energy: 5.031
local terms energy: -452.683298
where:
bonds (distance) C4'-P energy: -114.497
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -96.358
flat angles P-C4'-P energy: -68.255
tors. eta vs tors. theta energy: -63.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -992.121344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.121344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.121344 (E_RNA)
where:
Base-Base interactions energy: -623.319
where: short stacking energy: -276.459
Base-Backbone interact. energy: -2.468
local terms energy: -366.333964
where:
bonds (distance) C4'-P energy: -88.244
bonds (distance) P-C4' energy: -101.928
flat angles C4'-P-C4' energy: -91.307
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -38.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -608.133925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.133925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.133925 (E_RNA)
where:
Base-Base interactions energy: -293.432
where: short stacking energy: -170.755
Base-Backbone interact. energy: 3.220
local terms energy: -317.922543
where:
bonds (distance) C4'-P energy: -79.974
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -82.249
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2114.354208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.354208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.354208 (E_RNA)
where:
Base-Base interactions energy: -1471.133
where: short stacking energy: -609.669
Base-Backbone interact. energy: -3.386
local terms energy: -639.834703
where:
bonds (distance) C4'-P energy: -103.718
bonds (distance) P-C4' energy: -123.744
flat angles C4'-P-C4' energy: -137.325
flat angles P-C4'-P energy: -95.759
tors. eta vs tors. theta energy: -179.289
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: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1991.704190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.704190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.704190 (E_RNA)
where:
Base-Base interactions energy: -1381.139
where: short stacking energy: -542.398
Base-Backbone interact. energy: -5.411
local terms energy: -605.154709
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -115.839
flat angles C4'-P-C4' energy: -134.828
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -161.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1916.356485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.356485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.356485 (E_RNA)
where:
Base-Base interactions energy: -1312.436
where: short stacking energy: -544.419
Base-Backbone interact. energy: 0.619
local terms energy: -604.539802
where:
bonds (distance) C4'-P energy: -119.533
bonds (distance) P-C4' energy: -122.701
flat angles C4'-P-C4' energy: -124.314
flat angles P-C4'-P energy: -80.780
tors. eta vs tors. theta energy: -157.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1770.070698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.070698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.070698 (E_RNA)
where:
Base-Base interactions energy: -1238.924
where: short stacking energy: -499.796
Base-Backbone interact. energy: 8.363
local terms energy: -539.509589
where:
bonds (distance) C4'-P energy: -93.361
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -118.414
flat angles P-C4'-P energy: -68.820
tors. eta vs tors. theta energy: -139.091
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: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1729.343538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.343538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.343538 (E_RNA)
where:
Base-Base interactions energy: -1170.971
where: short stacking energy: -515.180
Base-Backbone interact. energy: 1.000
local terms energy: -559.372674
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -114.395
flat angles C4'-P-C4' energy: -117.286
flat angles P-C4'-P energy: -74.225
tors. eta vs tors. theta energy: -143.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1505.877813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.877813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.877813 (E_RNA)
where:
Base-Base interactions energy: -997.749
where: short stacking energy: -462.896
Base-Backbone interact. energy: 1.808
local terms energy: -509.937283
where:
bonds (distance) C4'-P energy: -107.475
bonds (distance) P-C4' energy: -109.020
flat angles C4'-P-C4' energy: -105.758
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -122.477
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: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1389.927978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.927978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.927978 (E_RNA)
where:
Base-Base interactions energy: -912.469
where: short stacking energy: -395.136
Base-Backbone interact. energy: -3.030
local terms energy: -474.428666
where:
bonds (distance) C4'-P energy: -104.481
bonds (distance) P-C4' energy: -108.573
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -56.270
tors. eta vs tors. theta energy: -99.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1157.557428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.557428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.557428 (E_RNA)
where:
Base-Base interactions energy: -739.032
where: short stacking energy: -323.625
Base-Backbone interact. energy: 0.937
local terms energy: -419.462599
where:
bonds (distance) C4'-P energy: -108.755
bonds (distance) P-C4' energy: -83.975
flat angles C4'-P-C4' energy: -93.475
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -66.277
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1016.239303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.239303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.239303 (E_RNA)
where:
Base-Base interactions energy: -645.894
where: short stacking energy: -284.169
Base-Backbone interact. energy: -1.722
local terms energy: -368.623032
where:
bonds (distance) C4'-P energy: -96.808
bonds (distance) P-C4' energy: -97.822
flat angles C4'-P-C4' energy: -82.407
flat angles P-C4'-P energy: -47.983
tors. eta vs tors. theta energy: -43.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -572.513656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.513656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.513656 (E_RNA)
where:
Base-Base interactions energy: -268.665
where: short stacking energy: -159.831
Base-Backbone interact. energy: -0.974
local terms energy: -302.874562
where:
bonds (distance) C4'-P energy: -80.128
bonds (distance) P-C4' energy: -78.012
flat angles C4'-P-C4' energy: -91.123
flat angles P-C4'-P energy: -60.855
tors. eta vs tors. theta energy: 7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2073.363040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.363040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.363040 (E_RNA)
where:
Base-Base interactions energy: -1441.929
where: short stacking energy: -586.701
Base-Backbone interact. energy: -3.700
local terms energy: -627.734214
where:
bonds (distance) C4'-P energy: -118.713
bonds (distance) P-C4' energy: -120.299
flat angles C4'-P-C4' energy: -133.737
flat angles P-C4'-P energy: -73.491
tors. eta vs tors. theta energy: -181.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1997.413083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.413083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.413083 (E_RNA)
where:
Base-Base interactions energy: -1382.207
where: short stacking energy: -548.650
Base-Backbone interact. energy: -3.527
local terms energy: -611.679673
where:
bonds (distance) C4'-P energy: -113.806
bonds (distance) P-C4' energy: -119.006
flat angles C4'-P-C4' energy: -136.255
flat angles P-C4'-P energy: -87.644
tors. eta vs tors. theta energy: -154.969
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: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1919.388718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.388718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.388718 (E_RNA)
where:
Base-Base interactions energy: -1342.583
where: short stacking energy: -571.799
Base-Backbone interact. energy: -0.244
local terms energy: -576.561727
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -104.397
flat angles C4'-P-C4' energy: -122.298
flat angles P-C4'-P energy: -76.127
tors. eta vs tors. theta energy: -153.392
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: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1752.680310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.680310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.680310 (E_RNA)
where:
Base-Base interactions energy: -1202.553
where: short stacking energy: -493.258
Base-Backbone interact. energy: -1.188
local terms energy: -548.938987
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -121.053
flat angles C4'-P-C4' energy: -124.910
flat angles P-C4'-P energy: -78.505
tors. eta vs tors. theta energy: -131.278
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: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1731.766315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.766315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.766315 (E_RNA)
where:
Base-Base interactions energy: -1180.115
where: short stacking energy: -503.006
Base-Backbone interact. energy: -0.057
local terms energy: -551.594171
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -110.697
flat angles C4'-P-C4' energy: -122.424
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -148.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1523.793695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.793695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.793695 (E_RNA)
where:
Base-Base interactions energy: -1022.417
where: short stacking energy: -454.864
Base-Backbone interact. energy: -1.534
local terms energy: -499.842489
where:
bonds (distance) C4'-P energy: -98.599
bonds (distance) P-C4' energy: -95.541
flat angles C4'-P-C4' energy: -114.201
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -130.356
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1299.073616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.073616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.073616 (E_RNA)
where:
Base-Base interactions energy: -824.601
where: short stacking energy: -351.555
Base-Backbone interact. energy: 0.819
local terms energy: -475.291392
where:
bonds (distance) C4'-P energy: -104.994
bonds (distance) P-C4' energy: -116.346
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -91.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1204.525698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.525698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.525698 (E_RNA)
where:
Base-Base interactions energy: -766.358
where: short stacking energy: -332.802
Base-Backbone interact. energy: -1.280
local terms energy: -436.887549
where:
bonds (distance) C4'-P energy: -94.762
bonds (distance) P-C4' energy: -93.921
flat angles C4'-P-C4' energy: -101.787
flat angles P-C4'-P energy: -71.722
tors. eta vs tors. theta energy: -74.696
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: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1018.508957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.508957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.508957 (E_RNA)
where:
Base-Base interactions energy: -633.277
where: short stacking energy: -278.682
Base-Backbone interact. energy: -2.635
local terms energy: -382.596881
where:
bonds (distance) C4'-P energy: -104.234
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -97.810
flat angles P-C4'-P energy: -56.498
tors. eta vs tors. theta energy: -37.649
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: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -573.202030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.202030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.202030 (E_RNA)
where:
Base-Base interactions energy: -241.827
where: short stacking energy: -158.134
Base-Backbone interact. energy: -1.518
local terms energy: -329.857218
where:
bonds (distance) C4'-P energy: -95.025
bonds (distance) P-C4' energy: -111.414
flat angles C4'-P-C4' energy: -92.602
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: 7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2111.520056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.520056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.520056 (E_RNA)
where:
Base-Base interactions energy: -1491.897
where: short stacking energy: -592.537
Base-Backbone interact. energy: -1.775
local terms energy: -617.848192
where:
bonds (distance) C4'-P energy: -104.817
bonds (distance) P-C4' energy: -109.859
flat angles C4'-P-C4' energy: -137.887
flat angles P-C4'-P energy: -91.584
tors. eta vs tors. theta energy: -173.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1999.491742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.491742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.491742 (E_RNA)
where:
Base-Base interactions energy: -1386.149
where: short stacking energy: -547.073
Base-Backbone interact. energy: 0.133
local terms energy: -613.476423
where:
bonds (distance) C4'-P energy: -104.706
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -130.155
flat angles P-C4'-P energy: -94.930
tors. eta vs tors. theta energy: -167.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1910.200295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.200295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.200295 (E_RNA)
where:
Base-Base interactions energy: -1331.731
where: short stacking energy: -546.797
Base-Backbone interact. energy: -2.170
local terms energy: -576.299331
where:
bonds (distance) C4'-P energy: -103.014
bonds (distance) P-C4' energy: -112.253
flat angles C4'-P-C4' energy: -121.394
flat angles P-C4'-P energy: -80.854
tors. eta vs tors. theta energy: -158.783
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1751.046674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.046674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.046674 (E_RNA)
where:
Base-Base interactions energy: -1194.636
where: short stacking energy: -503.497
Base-Backbone interact. energy: -2.742
local terms energy: -553.668037
where:
bonds (distance) C4'-P energy: -103.381
bonds (distance) P-C4' energy: -110.550
flat angles C4'-P-C4' energy: -126.677
flat angles P-C4'-P energy: -79.067
tors. eta vs tors. theta energy: -133.992
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: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1762.666725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.666725 (E_RNA)
where:
Base-Base interactions energy: -1227.079
where: short stacking energy: -542.555
Base-Backbone interact. energy: 6.170
local terms energy: -541.757453
where:
bonds (distance) C4'-P energy: -87.620
bonds (distance) P-C4' energy: -106.531
flat angles C4'-P-C4' energy: -124.833
flat angles P-C4'-P energy: -83.711
tors. eta vs tors. theta energy: -139.062
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: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1532.416211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.416211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.416211 (E_RNA)
where:
Base-Base interactions energy: -982.634
where: short stacking energy: -437.017
Base-Backbone interact. energy: 0.119
local terms energy: -549.900386
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -124.099
flat angles C4'-P-C4' energy: -116.044
flat angles P-C4'-P energy: -79.511
tors. eta vs tors. theta energy: -130.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1337.241740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.241740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.241740 (E_RNA)
where:
Base-Base interactions energy: -875.240
where: short stacking energy: -384.688
Base-Backbone interact. energy: -1.588
local terms energy: -460.413247
where:
bonds (distance) C4'-P energy: -104.087
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -90.589
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -94.966
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: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1172.707406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.707406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.707406 (E_RNA)
where:
Base-Base interactions energy: -740.914
where: short stacking energy: -341.119
Base-Backbone interact. energy: -1.259
local terms energy: -430.534378
where:
bonds (distance) C4'-P energy: -106.347
bonds (distance) P-C4' energy: -88.348
flat angles C4'-P-C4' energy: -96.707
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -70.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1011.806104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.806104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.806104 (E_RNA)
where:
Base-Base interactions energy: -639.101
where: short stacking energy: -290.638
Base-Backbone interact. energy: 5.002
local terms energy: -377.707493
where:
bonds (distance) C4'-P energy: -81.538
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -52.694
tors. eta vs tors. theta energy: -42.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -563.587049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.587049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.587049 (E_RNA)
where:
Base-Base interactions energy: -241.599
where: short stacking energy: -139.914
Base-Backbone interact. energy: -1.615
local terms energy: -320.373038
where:
bonds (distance) C4'-P energy: -74.938
bonds (distance) P-C4' energy: -102.318
flat angles C4'-P-C4' energy: -91.500
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: 5.644
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: 444
Temperature: 0.900000
Total energy: -2115.389485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.389485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.389485 (E_RNA)
where:
Base-Base interactions energy: -1450.235
where: short stacking energy: -604.182
Base-Backbone interact. energy: -1.866
local terms energy: -663.288165
where:
bonds (distance) C4'-P energy: -121.488
bonds (distance) P-C4' energy: -120.742
flat angles C4'-P-C4' energy: -141.706
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -184.079
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: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1984.053776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.053776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.053776 (E_RNA)
where:
Base-Base interactions energy: -1387.424
where: short stacking energy: -552.627
Base-Backbone interact. energy: -3.613
local terms energy: -593.017631
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -114.175
flat angles C4'-P-C4' energy: -125.898
flat angles P-C4'-P energy: -94.078
tors. eta vs tors. theta energy: -165.472
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1928.615993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.615993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.615993 (E_RNA)
where:
Base-Base interactions energy: -1353.914
where: short stacking energy: -562.004
Base-Backbone interact. energy: -0.523
local terms energy: -574.178914
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -112.276
flat angles C4'-P-C4' energy: -135.359
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -146.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1717.007922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.007922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.007922 (E_RNA)
where:
Base-Base interactions energy: -1150.189
where: short stacking energy: -490.315
Base-Backbone interact. energy: -0.335
local terms energy: -566.483761
where:
bonds (distance) C4'-P energy: -114.121
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -116.653
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -135.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1734.458919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.458919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.458919 (E_RNA)
where:
Base-Base interactions energy: -1179.801
where: short stacking energy: -518.609
Base-Backbone interact. energy: -1.206
local terms energy: -553.452321
where:
bonds (distance) C4'-P energy: -100.065
bonds (distance) P-C4' energy: -123.064
flat angles C4'-P-C4' energy: -105.391
flat angles P-C4'-P energy: -74.933
tors. eta vs tors. theta energy: -149.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1570.860240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.860240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.860240 (E_RNA)
where:
Base-Base interactions energy: -1021.129
where: short stacking energy: -468.087
Base-Backbone interact. energy: -1.467
local terms energy: -548.264120
where:
bonds (distance) C4'-P energy: -122.667
bonds (distance) P-C4' energy: -100.476
flat angles C4'-P-C4' energy: -116.028
flat angles P-C4'-P energy: -78.789
tors. eta vs tors. theta energy: -130.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1288.244443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.244443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.244443 (E_RNA)
where:
Base-Base interactions energy: -846.835
where: short stacking energy: -358.962
Base-Backbone interact. energy: 3.114
local terms energy: -444.523138
where:
bonds (distance) C4'-P energy: -105.172
bonds (distance) P-C4' energy: -101.724
flat angles C4'-P-C4' energy: -92.107
flat angles P-C4'-P energy: -70.492
tors. eta vs tors. theta energy: -75.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1285.500268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.500268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.500268 (E_RNA)
where:
Base-Base interactions energy: -868.244
where: short stacking energy: -367.971
Base-Backbone interact. energy: -0.828
local terms energy: -416.428488
where:
bonds (distance) C4'-P energy: -84.529
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -100.377
flat angles P-C4'-P energy: -68.796
tors. eta vs tors. theta energy: -91.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -995.036268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.036268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.036268 (E_RNA)
where:
Base-Base interactions energy: -595.884
where: short stacking energy: -278.750
Base-Backbone interact. energy: 0.026
local terms energy: -399.177661
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -97.721
flat angles C4'-P-C4' energy: -106.282
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -50.675
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: 444
Temperature: 1.350000
Total energy: -610.122275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.122275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.122275 (E_RNA)
where:
Base-Base interactions energy: -308.914
where: short stacking energy: -186.347
Base-Backbone interact. energy: 6.288
local terms energy: -307.495614
where:
bonds (distance) C4'-P energy: -87.807
bonds (distance) P-C4' energy: -89.310
flat angles C4'-P-C4' energy: -81.837
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -7.645
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: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2098.767545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.767545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.767545 (E_RNA)
where:
Base-Base interactions energy: -1453.129
where: short stacking energy: -608.875
Base-Backbone interact. energy: -1.798
local terms energy: -643.840392
where:
bonds (distance) C4'-P energy: -123.614
bonds (distance) P-C4' energy: -115.373
flat angles C4'-P-C4' energy: -133.749
flat angles P-C4'-P energy: -95.742
tors. eta vs tors. theta energy: -175.362
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: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1979.835674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.835674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.835674 (E_RNA)
where:
Base-Base interactions energy: -1370.265
where: short stacking energy: -550.093
Base-Backbone interact. energy: -3.011
local terms energy: -606.560577
where:
bonds (distance) C4'-P energy: -107.002
bonds (distance) P-C4' energy: -108.994
flat angles C4'-P-C4' energy: -136.712
flat angles P-C4'-P energy: -83.292
tors. eta vs tors. theta energy: -170.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1876.658939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.658939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.658939 (E_RNA)
where:
Base-Base interactions energy: -1310.536
where: short stacking energy: -543.554
Base-Backbone interact. energy: 0.296
local terms energy: -566.419096
where:
bonds (distance) C4'-P energy: -94.975
bonds (distance) P-C4' energy: -112.576
flat angles C4'-P-C4' energy: -124.786
flat angles P-C4'-P energy: -84.451
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: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1746.387167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.387167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.387167 (E_RNA)
where:
Base-Base interactions energy: -1179.720
where: short stacking energy: -497.851
Base-Backbone interact. energy: -1.127
local terms energy: -565.540224
where:
bonds (distance) C4'-P energy: -102.517
bonds (distance) P-C4' energy: -107.772
flat angles C4'-P-C4' energy: -125.886
flat angles P-C4'-P energy: -88.422
tors. eta vs tors. theta energy: -140.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1691.285598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.285598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.285598 (E_RNA)
where:
Base-Base interactions energy: -1159.343
where: short stacking energy: -538.461
Base-Backbone interact. energy: -2.868
local terms energy: -529.074368
where:
bonds (distance) C4'-P energy: -96.924
bonds (distance) P-C4' energy: -96.373
flat angles C4'-P-C4' energy: -113.678
flat angles P-C4'-P energy: -74.374
tors. eta vs tors. theta energy: -147.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1516.073477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.073477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.073477 (E_RNA)
where:
Base-Base interactions energy: -1031.843
where: short stacking energy: -458.390
Base-Backbone interact. energy: 3.505
local terms energy: -487.735505
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -107.312
flat angles C4'-P-C4' energy: -102.562
flat angles P-C4'-P energy: -72.742
tors. eta vs tors. theta energy: -105.891
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1270.289921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.289921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.289921 (E_RNA)
where:
Base-Base interactions energy: -818.518
where: short stacking energy: -365.279
Base-Backbone interact. energy: 4.951
local terms energy: -456.723184
where:
bonds (distance) C4'-P energy: -102.463
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -112.282
flat angles P-C4'-P energy: -74.438
tors. eta vs tors. theta energy: -73.165
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: 445
Temperature: 1.250000
Total energy: -1300.707308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.707308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.707308 (E_RNA)
where:
Base-Base interactions energy: -870.827
where: short stacking energy: -372.493
Base-Backbone interact. energy: 0.887
local terms energy: -430.767372
where:
bonds (distance) C4'-P energy: -84.827
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -108.350
flat angles P-C4'-P energy: -59.544
tors. eta vs tors. theta energy: -79.308
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: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -970.336138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.336138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.336138 (E_RNA)
where:
Base-Base interactions energy: -581.169
where: short stacking energy: -285.687
Base-Backbone interact. energy: -1.291
local terms energy: -387.875761
where:
bonds (distance) C4'-P energy: -90.287
bonds (distance) P-C4' energy: -121.274
flat angles C4'-P-C4' energy: -87.556
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -578.188421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.188421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.188421 (E_RNA)
where:
Base-Base interactions energy: -285.971
where: short stacking energy: -171.853
Base-Backbone interact. energy: 0.873
local terms energy: -293.090431
where:
bonds (distance) C4'-P energy: -100.540
bonds (distance) P-C4' energy: -94.642
flat angles C4'-P-C4' energy: -72.451
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: 11.860
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: 446
Temperature: 0.900000
Total energy: -2097.229799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.229799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.229799 (E_RNA)
where:
Base-Base interactions energy: -1466.300
where: short stacking energy: -580.366
Base-Backbone interact. energy: -3.124
local terms energy: -627.805691
where:
bonds (distance) C4'-P energy: -121.729
bonds (distance) P-C4' energy: -115.405
flat angles C4'-P-C4' energy: -126.818
flat angles P-C4'-P energy: -86.881
tors. eta vs tors. theta energy: -176.973
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1967.457059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.457059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.457059 (E_RNA)
where:
Base-Base interactions energy: -1378.019
where: short stacking energy: -520.217
Base-Backbone interact. energy: -2.175
local terms energy: -587.262561
where:
bonds (distance) C4'-P energy: -109.915
bonds (distance) P-C4' energy: -126.796
flat angles C4'-P-C4' energy: -114.135
flat angles P-C4'-P energy: -84.689
tors. eta vs tors. theta energy: -151.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1899.406199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.406199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.406199 (E_RNA)
where:
Base-Base interactions energy: -1362.707
where: short stacking energy: -555.037
Base-Backbone interact. energy: 0.762
local terms energy: -537.461388
where:
bonds (distance) C4'-P energy: -91.711
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -113.296
flat angles P-C4'-P energy: -89.305
tors. eta vs tors. theta energy: -147.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1760.989972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.989972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.989972 (E_RNA)
where:
Base-Base interactions energy: -1222.510
where: short stacking energy: -492.291
Base-Backbone interact. energy: -1.974
local terms energy: -536.505807
where:
bonds (distance) C4'-P energy: -102.581
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -121.715
flat angles P-C4'-P energy: -76.269
tors. eta vs tors. theta energy: -131.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1647.135355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.135355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.135355 (E_RNA)
where:
Base-Base interactions energy: -1129.015
where: short stacking energy: -489.222
Base-Backbone interact. energy: -1.157
local terms energy: -516.963308
where:
bonds (distance) C4'-P energy: -82.626
bonds (distance) P-C4' energy: -116.504
flat angles C4'-P-C4' energy: -117.815
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -131.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1525.476289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.476289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.476289 (E_RNA)
where:
Base-Base interactions energy: -992.994
where: short stacking energy: -437.316
Base-Backbone interact. energy: -1.127
local terms energy: -531.354591
where:
bonds (distance) C4'-P energy: -103.317
bonds (distance) P-C4' energy: -101.615
flat angles C4'-P-C4' energy: -118.478
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -131.644
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: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1357.244955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.244955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.244955 (E_RNA)
where:
Base-Base interactions energy: -916.764
where: short stacking energy: -377.594
Base-Backbone interact. energy: -1.218
local terms energy: -439.263374
where:
bonds (distance) C4'-P energy: -98.688
bonds (distance) P-C4' energy: -107.637
flat angles C4'-P-C4' energy: -84.127
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -89.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1191.572345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.572345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.572345 (E_RNA)
where:
Base-Base interactions energy: -734.024
where: short stacking energy: -320.649
Base-Backbone interact. energy: 0.300
local terms energy: -457.847810
where:
bonds (distance) C4'-P energy: -106.915
bonds (distance) P-C4' energy: -110.686
flat angles C4'-P-C4' energy: -110.019
flat angles P-C4'-P energy: -69.982
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: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1031.746392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.746392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.746392 (E_RNA)
where:
Base-Base interactions energy: -633.843
where: short stacking energy: -282.400
Base-Backbone interact. energy: -0.751
local terms energy: -397.153115
where:
bonds (distance) C4'-P energy: -91.972
bonds (distance) P-C4' energy: -110.543
flat angles C4'-P-C4' energy: -83.759
flat angles P-C4'-P energy: -66.054
tors. eta vs tors. theta energy: -44.824
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: 446
Temperature: 1.350000
Total energy: -628.938205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.938205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.938205 (E_RNA)
where:
Base-Base interactions energy: -307.353
where: short stacking energy: -186.426
Base-Backbone interact. energy: 1.778
local terms energy: -323.363052
where:
bonds (distance) C4'-P energy: -77.626
bonds (distance) P-C4' energy: -102.874
flat angles C4'-P-C4' energy: -82.368
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2087.647875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.647875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.647875 (E_RNA)
where:
Base-Base interactions energy: -1451.537
where: short stacking energy: -579.101
Base-Backbone interact. energy: -5.732
local terms energy: -630.378258
where:
bonds (distance) C4'-P energy: -115.540
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -130.988
flat angles P-C4'-P energy: -97.582
tors. eta vs tors. theta energy: -170.456
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1950.692569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.692569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.692569 (E_RNA)
where:
Base-Base interactions energy: -1365.201
where: short stacking energy: -525.191
Base-Backbone interact. energy: -1.994
local terms energy: -583.497237
where:
bonds (distance) C4'-P energy: -105.732
bonds (distance) P-C4' energy: -120.986
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -84.380
tors. eta vs tors. theta energy: -149.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1899.979288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.979288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.979288 (E_RNA)
where:
Base-Base interactions energy: -1337.292
where: short stacking energy: -546.056
Base-Backbone interact. energy: -2.527
local terms energy: -560.160745
where:
bonds (distance) C4'-P energy: -101.875
bonds (distance) P-C4' energy: -97.387
flat angles C4'-P-C4' energy: -122.175
flat angles P-C4'-P energy: -88.594
tors. eta vs tors. theta energy: -150.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1725.761140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.761140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.761140 (E_RNA)
where:
Base-Base interactions energy: -1167.136
where: short stacking energy: -497.939
Base-Backbone interact. energy: -3.944
local terms energy: -554.681694
where:
bonds (distance) C4'-P energy: -112.803
bonds (distance) P-C4' energy: -111.143
flat angles C4'-P-C4' energy: -120.179
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -140.419
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: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1684.251097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.251097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.251097 (E_RNA)
where:
Base-Base interactions energy: -1151.092
where: short stacking energy: -509.505
Base-Backbone interact. energy: -0.528
local terms energy: -532.630986
where:
bonds (distance) C4'-P energy: -103.881
bonds (distance) P-C4' energy: -104.674
flat angles C4'-P-C4' energy: -112.447
flat angles P-C4'-P energy: -81.534
tors. eta vs tors. theta energy: -130.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1486.022021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.022021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.022021 (E_RNA)
where:
Base-Base interactions energy: -988.041
where: short stacking energy: -459.749
Base-Backbone interact. energy: 1.073
local terms energy: -499.053462
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -101.478
flat angles C4'-P-C4' energy: -98.078
flat angles P-C4'-P energy: -70.257
tors. eta vs tors. theta energy: -122.213
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1349.220593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.220593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.220593 (E_RNA)
where:
Base-Base interactions energy: -862.410
where: short stacking energy: -379.277
Base-Backbone interact. energy: -1.308
local terms energy: -485.502471
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -109.323
flat angles C4'-P-C4' energy: -106.048
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -103.060
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1154.235121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.235121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.235121 (E_RNA)
where:
Base-Base interactions energy: -721.862
where: short stacking energy: -341.863
Base-Backbone interact. energy: -0.870
local terms energy: -431.502960
where:
bonds (distance) C4'-P energy: -96.452
bonds (distance) P-C4' energy: -97.907
flat angles C4'-P-C4' energy: -100.623
flat angles P-C4'-P energy: -71.618
tors. eta vs tors. theta energy: -64.902
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1030.989641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.989641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.989641 (E_RNA)
where:
Base-Base interactions energy: -616.840
where: short stacking energy: -273.306
Base-Backbone interact. energy: -1.907
local terms energy: -412.243042
where:
bonds (distance) C4'-P energy: -108.627
bonds (distance) P-C4' energy: -87.339
flat angles C4'-P-C4' energy: -110.316
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -665.274739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.274739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.274739 (E_RNA)
where:
Base-Base interactions energy: -346.429
where: short stacking energy: -168.718
Base-Backbone interact. energy: 1.974
local terms energy: -320.819975
where:
bonds (distance) C4'-P energy: -84.610
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -46.864
tors. eta vs tors. theta energy: 3.265
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: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2089.811390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.811390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.811390 (E_RNA)
where:
Base-Base interactions energy: -1446.072
where: short stacking energy: -583.527
Base-Backbone interact. energy: -2.757
local terms energy: -640.982041
where:
bonds (distance) C4'-P energy: -115.654
bonds (distance) P-C4' energy: -121.710
flat angles C4'-P-C4' energy: -143.319
flat angles P-C4'-P energy: -94.352
tors. eta vs tors. theta energy: -165.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1936.082490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.082490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.082490 (E_RNA)
where:
Base-Base interactions energy: -1346.069
where: short stacking energy: -557.070
Base-Backbone interact. energy: -2.699
local terms energy: -587.314384
where:
bonds (distance) C4'-P energy: -99.183
bonds (distance) P-C4' energy: -120.641
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -82.286
tors. eta vs tors. theta energy: -159.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1906.182554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.182554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.182554 (E_RNA)
where:
Base-Base interactions energy: -1324.204
where: short stacking energy: -553.789
Base-Backbone interact. energy: 0.710
local terms energy: -582.688546
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -116.150
flat angles C4'-P-C4' energy: -120.979
flat angles P-C4'-P energy: -68.619
tors. eta vs tors. theta energy: -156.849
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: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1738.014315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.014315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.014315 (E_RNA)
where:
Base-Base interactions energy: -1209.115
where: short stacking energy: -491.524
Base-Backbone interact. energy: 3.811
local terms energy: -532.710158
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -113.131
flat angles C4'-P-C4' energy: -119.143
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -125.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1710.493512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.493512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.493512 (E_RNA)
where:
Base-Base interactions energy: -1147.459
where: short stacking energy: -512.489
Base-Backbone interact. energy: 1.483
local terms energy: -564.518152
where:
bonds (distance) C4'-P energy: -107.006
bonds (distance) P-C4' energy: -105.035
flat angles C4'-P-C4' energy: -132.583
flat angles P-C4'-P energy: -71.338
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: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1452.971281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.971281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.971281 (E_RNA)
where:
Base-Base interactions energy: -931.419
where: short stacking energy: -414.982
Base-Backbone interact. energy: -1.250
local terms energy: -520.302733
where:
bonds (distance) C4'-P energy: -114.661
bonds (distance) P-C4' energy: -103.456
flat angles C4'-P-C4' energy: -105.331
flat angles P-C4'-P energy: -89.235
tors. eta vs tors. theta energy: -107.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1363.304996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.304996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.304996 (E_RNA)
where:
Base-Base interactions energy: -898.065
where: short stacking energy: -396.666
Base-Backbone interact. energy: -2.693
local terms energy: -462.547475
where:
bonds (distance) C4'-P energy: -95.903
bonds (distance) P-C4' energy: -100.545
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -80.209
tors. eta vs tors. theta energy: -92.239
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1179.265668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.265668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.265668 (E_RNA)
where:
Base-Base interactions energy: -724.094
where: short stacking energy: -338.694
Base-Backbone interact. energy: -0.790
local terms energy: -454.381105
where:
bonds (distance) C4'-P energy: -106.513
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -111.160
flat angles P-C4'-P energy: -78.337
tors. eta vs tors. theta energy: -67.213
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: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1024.987339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.987339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.987339 (E_RNA)
where:
Base-Base interactions energy: -643.423
where: short stacking energy: -277.042
Base-Backbone interact. energy: -2.837
local terms energy: -378.727035
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -85.101
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -61.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -643.310452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.310452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.310452 (E_RNA)
where:
Base-Base interactions energy: -308.119
where: short stacking energy: -193.554
Base-Backbone interact. energy: 1.182
local terms energy: -336.372950
where:
bonds (distance) C4'-P energy: -86.951
bonds (distance) P-C4' energy: -104.581
flat angles C4'-P-C4' energy: -94.831
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2099.434509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.434509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.434509 (E_RNA)
where:
Base-Base interactions energy: -1444.005
where: short stacking energy: -591.156
Base-Backbone interact. energy: 0.451
local terms energy: -655.880063
where:
bonds (distance) C4'-P energy: -114.913
bonds (distance) P-C4' energy: -132.268
flat angles C4'-P-C4' energy: -132.746
flat angles P-C4'-P energy: -98.766
tors. eta vs tors. theta energy: -177.188
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: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1955.044912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.044912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.044912 (E_RNA)
where:
Base-Base interactions energy: -1353.877
where: short stacking energy: -559.561
Base-Backbone interact. energy: 1.091
local terms energy: -602.259434
where:
bonds (distance) C4'-P energy: -113.102
bonds (distance) P-C4' energy: -128.933
flat angles C4'-P-C4' energy: -131.762
flat angles P-C4'-P energy: -70.270
tors. eta vs tors. theta energy: -158.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1892.704367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.704367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.704367 (E_RNA)
where:
Base-Base interactions energy: -1303.790
where: short stacking energy: -493.504
Base-Backbone interact. energy: -3.424
local terms energy: -585.490547
where:
bonds (distance) C4'-P energy: -110.196
bonds (distance) P-C4' energy: -114.318
flat angles C4'-P-C4' energy: -134.080
flat angles P-C4'-P energy: -81.641
tors. eta vs tors. theta energy: -145.255
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: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1796.669360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.669360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.669360 (E_RNA)
where:
Base-Base interactions energy: -1230.446
where: short stacking energy: -551.837
Base-Backbone interact. energy: -2.645
local terms energy: -563.578593
where:
bonds (distance) C4'-P energy: -106.248
bonds (distance) P-C4' energy: -98.180
flat angles C4'-P-C4' energy: -123.903
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -161.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1716.814959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.814959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.814959 (E_RNA)
where:
Base-Base interactions energy: -1215.297
where: short stacking energy: -490.956
Base-Backbone interact. energy: -2.125
local terms energy: -499.392874
where:
bonds (distance) C4'-P energy: -89.868
bonds (distance) P-C4' energy: -106.513
flat angles C4'-P-C4' energy: -109.196
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -120.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1427.136077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.136077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.136077 (E_RNA)
where:
Base-Base interactions energy: -946.907
where: short stacking energy: -412.586
Base-Backbone interact. energy: 0.874
local terms energy: -481.103408
where:
bonds (distance) C4'-P energy: -97.996
bonds (distance) P-C4' energy: -105.942
flat angles C4'-P-C4' energy: -108.895
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -109.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1363.418941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.418941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.418941 (E_RNA)
where:
Base-Base interactions energy: -886.799
where: short stacking energy: -406.552
Base-Backbone interact. energy: -0.273
local terms energy: -476.347454
where:
bonds (distance) C4'-P energy: -88.628
bonds (distance) P-C4' energy: -105.863
flat angles C4'-P-C4' energy: -117.604
flat angles P-C4'-P energy: -66.511
tors. eta vs tors. theta energy: -97.742
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: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1251.821124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.821124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.821124 (E_RNA)
where:
Base-Base interactions energy: -809.951
where: short stacking energy: -391.238
Base-Backbone interact. energy: -0.976
local terms energy: -440.893514
where:
bonds (distance) C4'-P energy: -101.758
bonds (distance) P-C4' energy: -83.918
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -59.071
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1022.771432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.771432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.771432 (E_RNA)
where:
Base-Base interactions energy: -661.414
where: short stacking energy: -313.874
Base-Backbone interact. energy: 5.746
local terms energy: -367.102897
where:
bonds (distance) C4'-P energy: -81.988
bonds (distance) P-C4' energy: -96.567
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -49.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -641.444844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.444844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.444844 (E_RNA)
where:
Base-Base interactions energy: -308.320
where: short stacking energy: -144.710
Base-Backbone interact. energy: 2.704
local terms energy: -335.828616
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -95.307
flat angles C4'-P-C4' energy: -90.868
flat angles P-C4'-P energy: -68.694
tors. eta vs tors. theta energy: 25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2094.615098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.615098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.615098 (E_RNA)
where:
Base-Base interactions energy: -1470.796
where: short stacking energy: -588.771
Base-Backbone interact. energy: -4.459
local terms energy: -619.360045
where:
bonds (distance) C4'-P energy: -115.552
bonds (distance) P-C4' energy: -115.354
flat angles C4'-P-C4' energy: -125.141
flat angles P-C4'-P energy: -86.904
tors. eta vs tors. theta energy: -176.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1948.783922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.783922 (E_RNA)
where:
Base-Base interactions energy: -1342.092
where: short stacking energy: -567.767
Base-Backbone interact. energy: -1.583
local terms energy: -605.109518
where:
bonds (distance) C4'-P energy: -115.227
bonds (distance) P-C4' energy: -114.598
flat angles C4'-P-C4' energy: -133.273
flat angles P-C4'-P energy: -82.318
tors. eta vs tors. theta energy: -159.694
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: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1910.481023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.481023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.481023 (E_RNA)
where:
Base-Base interactions energy: -1334.550
where: short stacking energy: -548.398
Base-Backbone interact. energy: -6.147
local terms energy: -569.784369
where:
bonds (distance) C4'-P energy: -104.871
bonds (distance) P-C4' energy: -107.035
flat angles C4'-P-C4' energy: -126.317
flat angles P-C4'-P energy: -69.669
tors. eta vs tors. theta energy: -161.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1734.069272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.069272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.069272 (E_RNA)
where:
Base-Base interactions energy: -1169.528
where: short stacking energy: -528.044
Base-Backbone interact. energy: -1.475
local terms energy: -563.066401
where:
bonds (distance) C4'-P energy: -96.911
bonds (distance) P-C4' energy: -117.367
flat angles C4'-P-C4' energy: -116.926
flat angles P-C4'-P energy: -76.971
tors. eta vs tors. theta energy: -154.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1699.943815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.943815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.943815 (E_RNA)
where:
Base-Base interactions energy: -1180.651
where: short stacking energy: -489.581
Base-Backbone interact. energy: 4.800
local terms energy: -524.093261
where:
bonds (distance) C4'-P energy: -99.784
bonds (distance) P-C4' energy: -95.146
flat angles C4'-P-C4' energy: -118.275
flat angles P-C4'-P energy: -70.497
tors. eta vs tors. theta energy: -140.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1402.608860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.608860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.608860 (E_RNA)
where:
Base-Base interactions energy: -906.175
where: short stacking energy: -428.203
Base-Backbone interact. energy: -0.019
local terms energy: -496.414480
where:
bonds (distance) C4'-P energy: -90.626
bonds (distance) P-C4' energy: -103.507
flat angles C4'-P-C4' energy: -120.799
flat angles P-C4'-P energy: -81.782
tors. eta vs tors. theta energy: -99.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1366.143930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.143930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.143930 (E_RNA)
where:
Base-Base interactions energy: -905.104
where: short stacking energy: -415.897
Base-Backbone interact. energy: 0.052
local terms energy: -461.092703
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -97.913
flat angles C4'-P-C4' energy: -105.338
flat angles P-C4'-P energy: -55.574
tors. eta vs tors. theta energy: -98.687
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: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1206.632012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.632012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.632012 (E_RNA)
where:
Base-Base interactions energy: -778.920
where: short stacking energy: -372.172
Base-Backbone interact. energy: 1.297
local terms energy: -429.008921
where:
bonds (distance) C4'-P energy: -94.984
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -113.642
flat angles P-C4'-P energy: -51.837
tors. eta vs tors. theta energy: -74.999
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1046.423640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.423640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.423640 (E_RNA)
where:
Base-Base interactions energy: -670.845
where: short stacking energy: -310.050
Base-Backbone interact. energy: 0.261
local terms energy: -375.839847
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -89.341
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -74.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -582.727740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.727740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.727740 (E_RNA)
where:
Base-Base interactions energy: -244.716
where: short stacking energy: -150.457
Base-Backbone interact. energy: 1.826
local terms energy: -339.837994
where:
bonds (distance) C4'-P energy: -112.006
bonds (distance) P-C4' energy: -92.215
flat angles C4'-P-C4' energy: -87.269
flat angles P-C4'-P energy: -54.037
tors. eta vs tors. theta energy: 5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2071.273594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.273594 (E_RNA)
where:
Base-Base interactions energy: -1435.453
where: short stacking energy: -583.381
Base-Backbone interact. energy: -1.581
local terms energy: -634.240035
where:
bonds (distance) C4'-P energy: -119.896
bonds (distance) P-C4' energy: -108.983
flat angles C4'-P-C4' energy: -148.344
flat angles P-C4'-P energy: -91.597
tors. eta vs tors. theta energy: -165.420
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: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1959.260648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.260648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.260648 (E_RNA)
where:
Base-Base interactions energy: -1338.624
where: short stacking energy: -569.283
Base-Backbone interact. energy: -1.263
local terms energy: -619.373660
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -114.039
flat angles C4'-P-C4' energy: -140.387
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -168.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1899.108246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.108246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.108246 (E_RNA)
where:
Base-Base interactions energy: -1320.647
where: short stacking energy: -540.178
Base-Backbone interact. energy: -0.545
local terms energy: -577.916676
where:
bonds (distance) C4'-P energy: -116.432
bonds (distance) P-C4' energy: -103.463
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -93.048
tors. eta vs tors. theta energy: -147.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1737.080802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.080802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.080802 (E_RNA)
where:
Base-Base interactions energy: -1178.559
where: short stacking energy: -486.799
Base-Backbone interact. energy: 1.542
local terms energy: -560.064532
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -118.207
flat angles P-C4'-P energy: -93.983
tors. eta vs tors. theta energy: -125.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1700.964600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.964600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.964600 (E_RNA)
where:
Base-Base interactions energy: -1162.268
where: short stacking energy: -523.388
Base-Backbone interact. energy: -1.935
local terms energy: -536.762186
where:
bonds (distance) C4'-P energy: -93.997
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -116.662
flat angles P-C4'-P energy: -77.543
tors. eta vs tors. theta energy: -156.416
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: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1424.391991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.391991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.391991 (E_RNA)
where:
Base-Base interactions energy: -956.884
where: short stacking energy: -400.703
Base-Backbone interact. energy: -3.009
local terms energy: -464.498278
where:
bonds (distance) C4'-P energy: -94.338
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -107.946
flat angles P-C4'-P energy: -63.386
tors. eta vs tors. theta energy: -102.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1344.622768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.622768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.622768 (E_RNA)
where:
Base-Base interactions energy: -890.855
where: short stacking energy: -377.016
Base-Backbone interact. energy: -3.390
local terms energy: -450.377798
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -116.728
flat angles C4'-P-C4' energy: -103.668
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -77.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1186.404629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.404629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.404629 (E_RNA)
where:
Base-Base interactions energy: -760.806
where: short stacking energy: -327.336
Base-Backbone interact. energy: -4.320
local terms energy: -421.278301
where:
bonds (distance) C4'-P energy: -98.007
bonds (distance) P-C4' energy: -97.456
flat angles C4'-P-C4' energy: -96.416
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: -63.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1065.137754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.137754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.137754 (E_RNA)
where:
Base-Base interactions energy: -662.161
where: short stacking energy: -320.547
Base-Backbone interact. energy: -0.192
local terms energy: -402.784735
where:
bonds (distance) C4'-P energy: -96.654
bonds (distance) P-C4' energy: -78.647
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -54.790
tors. eta vs tors. theta energy: -74.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -589.002040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.002040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.002040 (E_RNA)
where:
Base-Base interactions energy: -272.979
where: short stacking energy: -176.318
Base-Backbone interact. energy: 4.600
local terms energy: -320.622978
where:
bonds (distance) C4'-P energy: -90.976
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -82.434
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2074.954868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.954868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.954868 (E_RNA)
where:
Base-Base interactions energy: -1442.054
where: short stacking energy: -588.833
Base-Backbone interact. energy: -1.727
local terms energy: -631.173977
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -112.229
flat angles C4'-P-C4' energy: -128.308
flat angles P-C4'-P energy: -94.546
tors. eta vs tors. theta energy: -172.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1943.944727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.944727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.944727 (E_RNA)
where:
Base-Base interactions energy: -1344.973
where: short stacking energy: -557.131
Base-Backbone interact. energy: -3.273
local terms energy: -595.698314
where:
bonds (distance) C4'-P energy: -117.258
bonds (distance) P-C4' energy: -113.097
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -162.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1857.842580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.842580 (E_RNA)
where:
Base-Base interactions energy: -1271.530
where: short stacking energy: -494.979
Base-Backbone interact. energy: -6.643
local terms energy: -579.669941
where:
bonds (distance) C4'-P energy: -110.796
bonds (distance) P-C4' energy: -111.891
flat angles C4'-P-C4' energy: -114.461
flat angles P-C4'-P energy: -91.958
tors. eta vs tors. theta energy: -150.564
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: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1749.313171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.313171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.313171 (E_RNA)
where:
Base-Base interactions energy: -1196.498
where: short stacking energy: -504.583
Base-Backbone interact. energy: 0.849
local terms energy: -553.663821
where:
bonds (distance) C4'-P energy: -110.962
bonds (distance) P-C4' energy: -102.362
flat angles C4'-P-C4' energy: -124.403
flat angles P-C4'-P energy: -82.484
tors. eta vs tors. theta energy: -133.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1695.916420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.916420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.916420 (E_RNA)
where:
Base-Base interactions energy: -1153.360
where: short stacking energy: -523.855
Base-Backbone interact. energy: -1.220
local terms energy: -541.336295
where:
bonds (distance) C4'-P energy: -96.722
bonds (distance) P-C4' energy: -115.493
flat angles C4'-P-C4' energy: -122.965
flat angles P-C4'-P energy: -50.549
tors. eta vs tors. theta energy: -155.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1516.366237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.366237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.366237 (E_RNA)
where:
Base-Base interactions energy: -1006.244
where: short stacking energy: -465.462
Base-Backbone interact. energy: -2.230
local terms energy: -507.892923
where:
bonds (distance) C4'-P energy: -103.153
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -111.106
flat angles P-C4'-P energy: -72.014
tors. eta vs tors. theta energy: -133.482
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: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1333.905111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.905111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.905111 (E_RNA)
where:
Base-Base interactions energy: -852.139
where: short stacking energy: -376.663
Base-Backbone interact. energy: -3.226
local terms energy: -478.540627
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -99.145
flat angles P-C4'-P energy: -70.992
tors. eta vs tors. theta energy: -108.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1187.556579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.556579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.556579 (E_RNA)
where:
Base-Base interactions energy: -784.648
where: short stacking energy: -348.847
Base-Backbone interact. energy: -1.167
local terms energy: -401.740889
where:
bonds (distance) C4'-P energy: -88.761
bonds (distance) P-C4' energy: -97.413
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -54.462
tors. eta vs tors. theta energy: -76.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1079.940131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.940131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.940131 (E_RNA)
where:
Base-Base interactions energy: -667.450
where: short stacking energy: -298.582
Base-Backbone interact. energy: 0.615
local terms energy: -413.105678
where:
bonds (distance) C4'-P energy: -91.785
bonds (distance) P-C4' energy: -98.151
flat angles C4'-P-C4' energy: -101.742
flat angles P-C4'-P energy: -73.150
tors. eta vs tors. theta energy: -48.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -650.464561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.464561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.464561 (E_RNA)
where:
Base-Base interactions energy: -322.759
where: short stacking energy: -173.207
Base-Backbone interact. energy: -0.821
local terms energy: -326.884384
where:
bonds (distance) C4'-P energy: -98.935
bonds (distance) P-C4' energy: -94.962
flat angles C4'-P-C4' energy: -80.795
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -6.848
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: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2068.969451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.969451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.969451 (E_RNA)
where:
Base-Base interactions energy: -1434.933
where: short stacking energy: -601.342
Base-Backbone interact. energy: -0.276
local terms energy: -633.760393
where:
bonds (distance) C4'-P energy: -117.467
bonds (distance) P-C4' energy: -118.308
flat angles C4'-P-C4' energy: -137.928
flat angles P-C4'-P energy: -90.072
tors. eta vs tors. theta energy: -169.987
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1961.131794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.131794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.131794 (E_RNA)
where:
Base-Base interactions energy: -1373.833
where: short stacking energy: -570.328
Base-Backbone interact. energy: -3.558
local terms energy: -583.740214
where:
bonds (distance) C4'-P energy: -109.296
bonds (distance) P-C4' energy: -107.393
flat angles C4'-P-C4' energy: -120.335
flat angles P-C4'-P energy: -85.689
tors. eta vs tors. theta energy: -161.027
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1853.565168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.565168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.565168 (E_RNA)
where:
Base-Base interactions energy: -1304.823
where: short stacking energy: -548.506
Base-Backbone interact. energy: -5.561
local terms energy: -543.180482
where:
bonds (distance) C4'-P energy: -104.549
bonds (distance) P-C4' energy: -96.574
flat angles C4'-P-C4' energy: -110.763
flat angles P-C4'-P energy: -80.996
tors. eta vs tors. theta energy: -150.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1757.639197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.639197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.639197 (E_RNA)
where:
Base-Base interactions energy: -1185.768
where: short stacking energy: -527.151
Base-Backbone interact. energy: -2.191
local terms energy: -569.679406
where:
bonds (distance) C4'-P energy: -103.038
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -120.256
flat angles P-C4'-P energy: -79.982
tors. eta vs tors. theta energy: -156.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1679.165313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.165313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.165313 (E_RNA)
where:
Base-Base interactions energy: -1154.184
where: short stacking energy: -492.706
Base-Backbone interact. energy: 2.221
local terms energy: -527.201747
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -107.029
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -72.755
tors. eta vs tors. theta energy: -136.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1471.671348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.671348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.671348 (E_RNA)
where:
Base-Base interactions energy: -979.937
where: short stacking energy: -436.194
Base-Backbone interact. energy: -2.093
local terms energy: -489.641194
where:
bonds (distance) C4'-P energy: -100.225
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -113.065
flat angles P-C4'-P energy: -61.768
tors. eta vs tors. theta energy: -107.414
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: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1370.918530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.918530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.918530 (E_RNA)
where:
Base-Base interactions energy: -921.128
where: short stacking energy: -393.724
Base-Backbone interact. energy: 1.640
local terms energy: -451.430535
where:
bonds (distance) C4'-P energy: -100.219
bonds (distance) P-C4' energy: -99.047
flat angles C4'-P-C4' energy: -101.946
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -108.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1095.651832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.651832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.651832 (E_RNA)
where:
Base-Base interactions energy: -697.180
where: short stacking energy: -313.889
Base-Backbone interact. energy: -3.332
local terms energy: -395.140598
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -101.985
flat angles C4'-P-C4' energy: -85.874
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -58.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -974.141200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.141200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.141200 (E_RNA)
where:
Base-Base interactions energy: -578.409
where: short stacking energy: -259.295
Base-Backbone interact. energy: -0.632
local terms energy: -395.099932
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -91.088
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -44.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -712.946046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.946046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.946046 (E_RNA)
where:
Base-Base interactions energy: -391.330
where: short stacking energy: -219.265
Base-Backbone interact. energy: -1.271
local terms energy: -320.345837
where:
bonds (distance) C4'-P energy: -101.723
bonds (distance) P-C4' energy: -99.039
flat angles C4'-P-C4' energy: -74.654
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: -4.446
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: 454
Temperature: 0.900000
Total energy: -2070.086808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.086808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.086808 (E_RNA)
where:
Base-Base interactions energy: -1443.667
where: short stacking energy: -591.337
Base-Backbone interact. energy: -0.864
local terms energy: -625.556030
where:
bonds (distance) C4'-P energy: -114.450
bonds (distance) P-C4' energy: -114.554
flat angles C4'-P-C4' energy: -131.641
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -176.427
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: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1932.875159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.875159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.875159 (E_RNA)
where:
Base-Base interactions energy: -1339.353
where: short stacking energy: -545.695
Base-Backbone interact. energy: -3.640
local terms energy: -589.882049
where:
bonds (distance) C4'-P energy: -113.024
bonds (distance) P-C4' energy: -108.108
flat angles C4'-P-C4' energy: -126.394
flat angles P-C4'-P energy: -76.332
tors. eta vs tors. theta energy: -166.023
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: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1867.348145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.348145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.348145 (E_RNA)
where:
Base-Base interactions energy: -1306.179
where: short stacking energy: -521.933
Base-Backbone interact. energy: -5.458
local terms energy: -555.710993
where:
bonds (distance) C4'-P energy: -107.143
bonds (distance) P-C4' energy: -104.317
flat angles C4'-P-C4' energy: -115.821
flat angles P-C4'-P energy: -87.346
tors. eta vs tors. theta energy: -141.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1758.702107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.702107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.702107 (E_RNA)
where:
Base-Base interactions energy: -1177.881
where: short stacking energy: -499.298
Base-Backbone interact. energy: -2.761
local terms energy: -578.060399
where:
bonds (distance) C4'-P energy: -106.877
bonds (distance) P-C4' energy: -126.325
flat angles C4'-P-C4' energy: -111.542
flat angles P-C4'-P energy: -91.347
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: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1702.140058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.140058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.140058 (E_RNA)
where:
Base-Base interactions energy: -1180.855
where: short stacking energy: -483.882
Base-Backbone interact. energy: -2.357
local terms energy: -518.928535
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -100.793
flat angles C4'-P-C4' energy: -115.571
flat angles P-C4'-P energy: -72.984
tors. eta vs tors. theta energy: -141.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1477.003893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.003893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.003893 (E_RNA)
where:
Base-Base interactions energy: -959.553
where: short stacking energy: -405.035
Base-Backbone interact. energy: -2.443
local terms energy: -515.007465
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -112.936
flat angles C4'-P-C4' energy: -118.586
flat angles P-C4'-P energy: -75.821
tors. eta vs tors. theta energy: -105.096
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1436.167015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.167015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.167015 (E_RNA)
where:
Base-Base interactions energy: -940.701
where: short stacking energy: -393.171
Base-Backbone interact. energy: -2.137
local terms energy: -493.329307
where:
bonds (distance) C4'-P energy: -88.685
bonds (distance) P-C4' energy: -111.564
flat angles C4'-P-C4' energy: -116.209
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -111.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1190.037025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.037025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.037025 (E_RNA)
where:
Base-Base interactions energy: -754.597
where: short stacking energy: -338.098
Base-Backbone interact. energy: -2.117
local terms energy: -433.323214
where:
bonds (distance) C4'-P energy: -101.509
bonds (distance) P-C4' energy: -97.126
flat angles C4'-P-C4' energy: -98.183
flat angles P-C4'-P energy: -62.184
tors. eta vs tors. theta energy: -74.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -996.405692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.405692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.405692 (E_RNA)
where:
Base-Base interactions energy: -612.614
where: short stacking energy: -271.559
Base-Backbone interact. energy: 0.151
local terms energy: -383.942559
where:
bonds (distance) C4'-P energy: -91.489
bonds (distance) P-C4' energy: -98.543
flat angles C4'-P-C4' energy: -97.103
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -40.115
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: 454
Temperature: 1.350000
Total energy: -641.555315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.555315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.555315 (E_RNA)
where:
Base-Base interactions energy: -352.234
where: short stacking energy: -201.289
Base-Backbone interact. energy: -1.498
local terms energy: -287.823992
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -71.684
flat angles C4'-P-C4' energy: -78.986
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -3.541
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: 455
Temperature: 0.900000
Total energy: -2069.520661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.520661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.520661 (E_RNA)
where:
Base-Base interactions energy: -1450.671
where: short stacking energy: -582.991
Base-Backbone interact. energy: 0.974
local terms energy: -619.824273
where:
bonds (distance) C4'-P energy: -109.680
bonds (distance) P-C4' energy: -115.668
flat angles C4'-P-C4' energy: -133.103
flat angles P-C4'-P energy: -86.473
tors. eta vs tors. theta energy: -174.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1941.983674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.983674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.983674 (E_RNA)
where:
Base-Base interactions energy: -1322.587
where: short stacking energy: -561.595
Base-Backbone interact. energy: -4.111
local terms energy: -615.286584
where:
bonds (distance) C4'-P energy: -114.155
bonds (distance) P-C4' energy: -110.576
flat angles C4'-P-C4' energy: -127.731
flat angles P-C4'-P energy: -90.524
tors. eta vs tors. theta energy: -172.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1849.694158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.694158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.694158 (E_RNA)
where:
Base-Base interactions energy: -1297.639
where: short stacking energy: -528.415
Base-Backbone interact. energy: 0.245
local terms energy: -552.299305
where:
bonds (distance) C4'-P energy: -105.551
bonds (distance) P-C4' energy: -99.923
flat angles C4'-P-C4' energy: -129.971
flat angles P-C4'-P energy: -77.050
tors. eta vs tors. theta energy: -139.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1723.462359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.462359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.462359 (E_RNA)
where:
Base-Base interactions energy: -1159.985
where: short stacking energy: -489.423
Base-Backbone interact. energy: -1.593
local terms energy: -561.883819
where:
bonds (distance) C4'-P energy: -109.471
bonds (distance) P-C4' energy: -106.822
flat angles C4'-P-C4' energy: -122.803
flat angles P-C4'-P energy: -84.833
tors. eta vs tors. theta energy: -137.955
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1712.973726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.973726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.973726 (E_RNA)
where:
Base-Base interactions energy: -1171.808
where: short stacking energy: -463.093
Base-Backbone interact. energy: -3.144
local terms energy: -538.021100
where:
bonds (distance) C4'-P energy: -106.963
bonds (distance) P-C4' energy: -107.721
flat angles C4'-P-C4' energy: -114.850
flat angles P-C4'-P energy: -70.211
tors. eta vs tors. theta energy: -138.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1437.810461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.810461 (E_RNA)
where:
Base-Base interactions energy: -972.692
where: short stacking energy: -424.926
Base-Backbone interact. energy: -0.987
local terms energy: -464.131855
where:
bonds (distance) C4'-P energy: -101.816
bonds (distance) P-C4' energy: -92.427
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -73.922
tors. eta vs tors. theta energy: -102.188
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: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1427.755353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.755353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.755353 (E_RNA)
where:
Base-Base interactions energy: -941.731
where: short stacking energy: -409.309
Base-Backbone interact. energy: 1.450
local terms energy: -487.474324
where:
bonds (distance) C4'-P energy: -97.448
bonds (distance) P-C4' energy: -109.280
flat angles C4'-P-C4' energy: -97.247
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -112.862
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: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1131.635301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.635301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.635301 (E_RNA)
where:
Base-Base interactions energy: -709.316
where: short stacking energy: -324.848
Base-Backbone interact. energy: -1.777
local terms energy: -420.543127
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -97.546
flat angles C4'-P-C4' energy: -95.395
flat angles P-C4'-P energy: -64.590
tors. eta vs tors. theta energy: -65.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -992.105849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.105849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.105849 (E_RNA)
where:
Base-Base interactions energy: -602.351
where: short stacking energy: -258.465
Base-Backbone interact. energy: -1.315
local terms energy: -388.439341
where:
bonds (distance) C4'-P energy: -88.556
bonds (distance) P-C4' energy: -100.807
flat angles C4'-P-C4' energy: -102.126
flat angles P-C4'-P energy: -66.092
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -573.358997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.358997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.358997 (E_RNA)
where:
Base-Base interactions energy: -279.108
where: short stacking energy: -159.349
Base-Backbone interact. energy: 7.481
local terms energy: -301.732167
where:
bonds (distance) C4'-P energy: -100.039
bonds (distance) P-C4' energy: -92.951
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: 10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2064.447488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.447488 (E_RNA)
where:
Base-Base interactions energy: -1444.780
where: short stacking energy: -586.420
Base-Backbone interact. energy: -2.473
local terms energy: -617.193921
where:
bonds (distance) C4'-P energy: -114.729
bonds (distance) P-C4' energy: -104.966
flat angles C4'-P-C4' energy: -129.148
flat angles P-C4'-P energy: -93.875
tors. eta vs tors. theta energy: -174.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1954.653607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.653607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.653607 (E_RNA)
where:
Base-Base interactions energy: -1337.390
where: short stacking energy: -547.226
Base-Backbone interact. energy: -0.686
local terms energy: -616.577663
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -112.972
flat angles C4'-P-C4' energy: -135.055
flat angles P-C4'-P energy: -91.759
tors. eta vs tors. theta energy: -164.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1874.611978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.611978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.611978 (E_RNA)
where:
Base-Base interactions energy: -1324.565
where: short stacking energy: -505.337
Base-Backbone interact. energy: -3.927
local terms energy: -546.120924
where:
bonds (distance) C4'-P energy: -96.808
bonds (distance) P-C4' energy: -109.173
flat angles C4'-P-C4' energy: -123.497
flat angles P-C4'-P energy: -74.324
tors. eta vs tors. theta energy: -142.320
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: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1756.957908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.957908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.957908 (E_RNA)
where:
Base-Base interactions energy: -1195.464
where: short stacking energy: -530.646
Base-Backbone interact. energy: -1.136
local terms energy: -560.357348
where:
bonds (distance) C4'-P energy: -90.528
bonds (distance) P-C4' energy: -121.173
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -85.325
tors. eta vs tors. theta energy: -147.314
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: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1754.066278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.066278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.066278 (E_RNA)
where:
Base-Base interactions energy: -1205.409
where: short stacking energy: -510.063
Base-Backbone interact. energy: -0.888
local terms energy: -547.769769
where:
bonds (distance) C4'-P energy: -96.911
bonds (distance) P-C4' energy: -104.325
flat angles C4'-P-C4' energy: -119.612
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -149.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1424.851558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.851558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.851558 (E_RNA)
where:
Base-Base interactions energy: -927.943
where: short stacking energy: -405.751
Base-Backbone interact. energy: -2.984
local terms energy: -493.924549
where:
bonds (distance) C4'-P energy: -106.480
bonds (distance) P-C4' energy: -98.911
flat angles C4'-P-C4' energy: -109.314
flat angles P-C4'-P energy: -80.696
tors. eta vs tors. theta energy: -98.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1420.220190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.220190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.220190 (E_RNA)
where:
Base-Base interactions energy: -913.528
where: short stacking energy: -406.020
Base-Backbone interact. energy: -0.095
local terms energy: -506.597278
where:
bonds (distance) C4'-P energy: -99.264
bonds (distance) P-C4' energy: -107.419
flat angles C4'-P-C4' energy: -119.420
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -107.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1303.031470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.031470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.031470 (E_RNA)
where:
Base-Base interactions energy: -860.240
where: short stacking energy: -390.305
Base-Backbone interact. energy: 7.530
local terms energy: -450.321399
where:
bonds (distance) C4'-P energy: -108.453
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -110.500
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -76.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -977.712704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.712704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.712704 (E_RNA)
where:
Base-Base interactions energy: -594.207
where: short stacking energy: -280.271
Base-Backbone interact. energy: 3.736
local terms energy: -387.241961
where:
bonds (distance) C4'-P energy: -97.819
bonds (distance) P-C4' energy: -112.696
flat angles C4'-P-C4' energy: -88.892
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -595.085901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.085901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.085901 (E_RNA)
where:
Base-Base interactions energy: -274.109
where: short stacking energy: -164.245
Base-Backbone interact. energy: -3.624
local terms energy: -317.353008
where:
bonds (distance) C4'-P energy: -100.651
bonds (distance) P-C4' energy: -89.969
flat angles C4'-P-C4' energy: -99.017
flat angles P-C4'-P energy: -31.801
tors. eta vs tors. theta energy: 4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2052.466841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.466841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.466841 (E_RNA)
where:
Base-Base interactions energy: -1435.572
where: short stacking energy: -574.070
Base-Backbone interact. energy: -3.451
local terms energy: -613.443748
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -123.266
flat angles C4'-P-C4' energy: -128.221
flat angles P-C4'-P energy: -80.759
tors. eta vs tors. theta energy: -173.868
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: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1955.914744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.914744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.914744 (E_RNA)
where:
Base-Base interactions energy: -1359.231
where: short stacking energy: -555.565
Base-Backbone interact. energy: -3.826
local terms energy: -592.857976
where:
bonds (distance) C4'-P energy: -110.987
bonds (distance) P-C4' energy: -113.134
flat angles C4'-P-C4' energy: -122.789
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -162.239
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1868.755009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.755009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.755009 (E_RNA)
where:
Base-Base interactions energy: -1283.050
where: short stacking energy: -510.243
Base-Backbone interact. energy: -2.184
local terms energy: -583.520910
where:
bonds (distance) C4'-P energy: -109.634
bonds (distance) P-C4' energy: -121.999
flat angles C4'-P-C4' energy: -119.490
flat angles P-C4'-P energy: -82.688
tors. eta vs tors. theta energy: -149.709
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: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1782.860530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.860530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.860530 (E_RNA)
where:
Base-Base interactions energy: -1210.319
where: short stacking energy: -494.490
Base-Backbone interact. energy: -1.148
local terms energy: -571.393760
where:
bonds (distance) C4'-P energy: -109.573
bonds (distance) P-C4' energy: -117.758
flat angles C4'-P-C4' energy: -123.027
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -144.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1701.637122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.637122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.637122 (E_RNA)
where:
Base-Base interactions energy: -1171.964
where: short stacking energy: -517.559
Base-Backbone interact. energy: 3.842
local terms energy: -533.515133
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -105.277
flat angles C4'-P-C4' energy: -113.979
flat angles P-C4'-P energy: -71.198
tors. eta vs tors. theta energy: -152.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1439.596000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.596000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.596000 (E_RNA)
where:
Base-Base interactions energy: -957.596
where: short stacking energy: -416.639
Base-Backbone interact. energy: -0.519
local terms energy: -481.480724
where:
bonds (distance) C4'-P energy: -87.954
bonds (distance) P-C4' energy: -111.049
flat angles C4'-P-C4' energy: -117.043
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -110.941
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: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1421.869814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.869814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.869814 (E_RNA)
where:
Base-Base interactions energy: -937.552
where: short stacking energy: -415.149
Base-Backbone interact. energy: -0.323
local terms energy: -483.995186
where:
bonds (distance) C4'-P energy: -83.896
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -117.509
flat angles P-C4'-P energy: -69.922
tors. eta vs tors. theta energy: -120.494
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: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1280.198472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.198472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.198472 (E_RNA)
where:
Base-Base interactions energy: -847.510
where: short stacking energy: -346.212
Base-Backbone interact. energy: -3.766
local terms energy: -428.922278
where:
bonds (distance) C4'-P energy: -83.088
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -99.777
flat angles P-C4'-P energy: -57.426
tors. eta vs tors. theta energy: -73.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -969.145009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.145009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.145009 (E_RNA)
where:
Base-Base interactions energy: -570.128
where: short stacking energy: -254.301
Base-Backbone interact. energy: -0.749
local terms energy: -398.267534
where:
bonds (distance) C4'-P energy: -99.478
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -101.849
flat angles P-C4'-P energy: -61.547
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -655.232771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.232771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.232771 (E_RNA)
where:
Base-Base interactions energy: -354.173
where: short stacking energy: -185.384
Base-Backbone interact. energy: 3.787
local terms energy: -304.846797
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2100.779283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.779283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.779283 (E_RNA)
where:
Base-Base interactions energy: -1480.764
where: short stacking energy: -598.822
Base-Backbone interact. energy: -7.106
local terms energy: -612.909188
where:
bonds (distance) C4'-P energy: -111.163
bonds (distance) P-C4' energy: -95.549
flat angles C4'-P-C4' energy: -133.647
flat angles P-C4'-P energy: -93.657
tors. eta vs tors. theta energy: -178.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1992.080609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.080609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.080609 (E_RNA)
where:
Base-Base interactions energy: -1383.227
where: short stacking energy: -585.331
Base-Backbone interact. energy: -0.869
local terms energy: -607.985158
where:
bonds (distance) C4'-P energy: -107.656
bonds (distance) P-C4' energy: -125.517
flat angles C4'-P-C4' energy: -124.830
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -162.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1870.454029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.454029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.454029 (E_RNA)
where:
Base-Base interactions energy: -1273.019
where: short stacking energy: -526.204
Base-Backbone interact. energy: -3.749
local terms energy: -593.686127
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -123.185
flat angles P-C4'-P energy: -94.548
tors. eta vs tors. theta energy: -162.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1763.909560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.909560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.909560 (E_RNA)
where:
Base-Base interactions energy: -1214.526
where: short stacking energy: -491.674
Base-Backbone interact. energy: -5.020
local terms energy: -544.364095
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -109.371
flat angles C4'-P-C4' energy: -116.196
flat angles P-C4'-P energy: -79.463
tors. eta vs tors. theta energy: -141.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1757.710419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.710419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.710419 (E_RNA)
where:
Base-Base interactions energy: -1206.279
where: short stacking energy: -539.049
Base-Backbone interact. energy: -2.763
local terms energy: -548.667862
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -99.927
flat angles C4'-P-C4' energy: -120.902
flat angles P-C4'-P energy: -82.116
tors. eta vs tors. theta energy: -148.969
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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1448.706265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.706265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.706265 (E_RNA)
where:
Base-Base interactions energy: -929.295
where: short stacking energy: -401.859
Base-Backbone interact. energy: -0.518
local terms energy: -518.893405
where:
bonds (distance) C4'-P energy: -107.427
bonds (distance) P-C4' energy: -102.436
flat angles C4'-P-C4' energy: -119.920
flat angles P-C4'-P energy: -82.026
tors. eta vs tors. theta energy: -107.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1391.575489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.575489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.575489 (E_RNA)
where:
Base-Base interactions energy: -900.454
where: short stacking energy: -411.869
Base-Backbone interact. energy: 0.562
local terms energy: -491.683566
where:
bonds (distance) C4'-P energy: -106.485
bonds (distance) P-C4' energy: -95.707
flat angles C4'-P-C4' energy: -104.899
flat angles P-C4'-P energy: -80.725
tors. eta vs tors. theta energy: -103.868
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: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1271.620475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.620475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.620475 (E_RNA)
where:
Base-Base interactions energy: -836.705
where: short stacking energy: -357.481
Base-Backbone interact. energy: -2.988
local terms energy: -431.927430
where:
bonds (distance) C4'-P energy: -104.797
bonds (distance) P-C4' energy: -98.807
flat angles C4'-P-C4' energy: -87.808
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -75.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -959.195555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.195555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.195555 (E_RNA)
where:
Base-Base interactions energy: -614.268
where: short stacking energy: -271.830
Base-Backbone interact. energy: 3.057
local terms energy: -347.984556
where:
bonds (distance) C4'-P energy: -80.851
bonds (distance) P-C4' energy: -90.782
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -51.988
tors. eta vs tors. theta energy: -32.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -689.923891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.923891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.923891 (E_RNA)
where:
Base-Base interactions energy: -368.122
where: short stacking energy: -190.674
Base-Backbone interact. energy: 3.609
local terms energy: -325.410763
where:
bonds (distance) C4'-P energy: -99.255
bonds (distance) P-C4' energy: -95.357
flat angles C4'-P-C4' energy: -85.662
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -11.228
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: 459
Temperature: 0.900000
Total energy: -2095.043233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.043233 (E_RNA)
where:
Base-Base interactions energy: -1459.986
where: short stacking energy: -592.950
Base-Backbone interact. energy: -1.698
local terms energy: -633.359843
where:
bonds (distance) C4'-P energy: -118.591
bonds (distance) P-C4' energy: -111.376
flat angles C4'-P-C4' energy: -136.541
flat angles P-C4'-P energy: -95.976
tors. eta vs tors. theta energy: -170.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1958.634959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.634959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.634959 (E_RNA)
where:
Base-Base interactions energy: -1353.284
where: short stacking energy: -571.053
Base-Backbone interact. energy: -4.430
local terms energy: -600.921101
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -97.699
flat angles C4'-P-C4' energy: -133.245
flat angles P-C4'-P energy: -95.243
tors. eta vs tors. theta energy: -167.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1871.356871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.356871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.356871 (E_RNA)
where:
Base-Base interactions energy: -1301.272
where: short stacking energy: -517.499
Base-Backbone interact. energy: -0.820
local terms energy: -569.264737
where:
bonds (distance) C4'-P energy: -113.221
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -82.931
tors. eta vs tors. theta energy: -145.351
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: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1753.642698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.642698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.642698 (E_RNA)
where:
Base-Base interactions energy: -1203.033
where: short stacking energy: -505.426
Base-Backbone interact. energy: -4.331
local terms energy: -546.278648
where:
bonds (distance) C4'-P energy: -114.739
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -124.759
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -137.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1665.269039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.269039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.269039 (E_RNA)
where:
Base-Base interactions energy: -1134.613
where: short stacking energy: -492.308
Base-Backbone interact. energy: -1.527
local terms energy: -529.129465
where:
bonds (distance) C4'-P energy: -100.089
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -117.022
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: -147.570
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: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1437.452140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.452140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.452140 (E_RNA)
where:
Base-Base interactions energy: -948.216
where: short stacking energy: -419.649
Base-Backbone interact. energy: 1.645
local terms energy: -490.880184
where:
bonds (distance) C4'-P energy: -98.734
bonds (distance) P-C4' energy: -103.197
flat angles C4'-P-C4' energy: -104.475
flat angles P-C4'-P energy: -81.544
tors. eta vs tors. theta energy: -102.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1394.978851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.978851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.978851 (E_RNA)
where:
Base-Base interactions energy: -925.532
where: short stacking energy: -394.238
Base-Backbone interact. energy: 0.773
local terms energy: -470.220013
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -95.361
flat angles C4'-P-C4' energy: -104.410
flat angles P-C4'-P energy: -70.355
tors. eta vs tors. theta energy: -95.663
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: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1237.859465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.859465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.859465 (E_RNA)
where:
Base-Base interactions energy: -805.629
where: short stacking energy: -364.477
Base-Backbone interact. energy: -3.282
local terms energy: -428.949250
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -106.225
flat angles C4'-P-C4' energy: -88.528
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -90.392
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: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -961.519758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.519758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.519758 (E_RNA)
where:
Base-Base interactions energy: -595.960
where: short stacking energy: -278.616
Base-Backbone interact. energy: -3.674
local terms energy: -361.885856
where:
bonds (distance) C4'-P energy: -82.252
bonds (distance) P-C4' energy: -97.607
flat angles C4'-P-C4' energy: -90.922
flat angles P-C4'-P energy: -48.873
tors. eta vs tors. theta energy: -42.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -687.368573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.368573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.368573 (E_RNA)
where:
Base-Base interactions energy: -349.309
where: short stacking energy: -170.805
Base-Backbone interact. energy: 0.398
local terms energy: -338.457784
where:
bonds (distance) C4'-P energy: -109.565
bonds (distance) P-C4' energy: -96.783
flat angles C4'-P-C4' energy: -81.405
flat angles P-C4'-P energy: -56.650
tors. eta vs tors. theta energy: 5.946
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: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2080.253806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.253806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.253806 (E_RNA)
where:
Base-Base interactions energy: -1453.829
where: short stacking energy: -589.768
Base-Backbone interact. energy: -1.766
local terms energy: -624.658585
where:
bonds (distance) C4'-P energy: -110.919
bonds (distance) P-C4' energy: -116.716
flat angles C4'-P-C4' energy: -138.144
flat angles P-C4'-P energy: -89.229
tors. eta vs tors. theta energy: -169.650
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1943.282547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.282547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.282547 (E_RNA)
where:
Base-Base interactions energy: -1345.696
where: short stacking energy: -543.932
Base-Backbone interact. energy: -0.758
local terms energy: -596.828265
where:
bonds (distance) C4'-P energy: -100.108
bonds (distance) P-C4' energy: -125.376
flat angles C4'-P-C4' energy: -127.226
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -156.308
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: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1842.113195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.113195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.113195 (E_RNA)
where:
Base-Base interactions energy: -1276.431
where: short stacking energy: -503.664
Base-Backbone interact. energy: 1.427
local terms energy: -567.109129
where:
bonds (distance) C4'-P energy: -103.207
bonds (distance) P-C4' energy: -117.213
flat angles C4'-P-C4' energy: -124.337
flat angles P-C4'-P energy: -84.991
tors. eta vs tors. theta energy: -137.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1767.648665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.648665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.648665 (E_RNA)
where:
Base-Base interactions energy: -1203.392
where: short stacking energy: -499.035
Base-Backbone interact. energy: -7.333
local terms energy: -556.924443
where:
bonds (distance) C4'-P energy: -110.692
bonds (distance) P-C4' energy: -113.702
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -80.981
tors. eta vs tors. theta energy: -132.343
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: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1715.923940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.923940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.923940 (E_RNA)
where:
Base-Base interactions energy: -1158.073
where: short stacking energy: -477.229
Base-Backbone interact. energy: -1.858
local terms energy: -555.992777
where:
bonds (distance) C4'-P energy: -105.157
bonds (distance) P-C4' energy: -112.941
flat angles C4'-P-C4' energy: -115.311
flat angles P-C4'-P energy: -73.940
tors. eta vs tors. theta energy: -148.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1506.265390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.265390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.265390 (E_RNA)
where:
Base-Base interactions energy: -989.992
where: short stacking energy: -454.485
Base-Backbone interact. energy: -0.820
local terms energy: -515.454226
where:
bonds (distance) C4'-P energy: -94.160
bonds (distance) P-C4' energy: -105.423
flat angles C4'-P-C4' energy: -117.854
flat angles P-C4'-P energy: -71.782
tors. eta vs tors. theta energy: -126.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1359.629456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.629456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.629456 (E_RNA)
where:
Base-Base interactions energy: -893.744
where: short stacking energy: -394.456
Base-Backbone interact. energy: -0.774
local terms energy: -465.111439
where:
bonds (distance) C4'-P energy: -112.467
bonds (distance) P-C4' energy: -88.849
flat angles C4'-P-C4' energy: -101.941
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: -90.006
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: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1341.094570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.094570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.094570 (E_RNA)
where:
Base-Base interactions energy: -891.292
where: short stacking energy: -385.422
Base-Backbone interact. energy: 1.922
local terms energy: -451.724886
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -104.698
flat angles C4'-P-C4' energy: -100.751
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -98.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -958.159651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.159651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.159651 (E_RNA)
where:
Base-Base interactions energy: -587.637
where: short stacking energy: -255.375
Base-Backbone interact. energy: -3.468
local terms energy: -367.054208
where:
bonds (distance) C4'-P energy: -89.223
bonds (distance) P-C4' energy: -96.690
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -60.868
tors. eta vs tors. theta energy: -20.843
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: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -590.551578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.551578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.551578 (E_RNA)
where:
Base-Base interactions energy: -306.065
where: short stacking energy: -203.892
Base-Backbone interact. energy: -0.078
local terms energy: -284.407886
where:
bonds (distance) C4'-P energy: -79.740
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -49.560
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2073.299448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.299448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.299448 (E_RNA)
where:
Base-Base interactions energy: -1428.707
where: short stacking energy: -604.109
Base-Backbone interact. energy: -1.902
local terms energy: -642.690145
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -119.551
flat angles C4'-P-C4' energy: -139.746
flat angles P-C4'-P energy: -91.991
tors. eta vs tors. theta energy: -174.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1946.151714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.151714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.151714 (E_RNA)
where:
Base-Base interactions energy: -1349.780
where: short stacking energy: -571.301
Base-Backbone interact. energy: -3.925
local terms energy: -592.446262
where:
bonds (distance) C4'-P energy: -102.652
bonds (distance) P-C4' energy: -109.605
flat angles C4'-P-C4' energy: -132.589
flat angles P-C4'-P energy: -89.241
tors. eta vs tors. theta energy: -158.360
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: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1870.328255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.328255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.328255 (E_RNA)
where:
Base-Base interactions energy: -1283.143
where: short stacking energy: -512.160
Base-Backbone interact. energy: -1.049
local terms energy: -586.136665
where:
bonds (distance) C4'-P energy: -111.483
bonds (distance) P-C4' energy: -119.929
flat angles C4'-P-C4' energy: -120.795
flat angles P-C4'-P energy: -88.564
tors. eta vs tors. theta energy: -145.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1803.678376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.678376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.678376 (E_RNA)
where:
Base-Base interactions energy: -1227.656
where: short stacking energy: -506.955
Base-Backbone interact. energy: -1.162
local terms energy: -574.860866
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -104.814
flat angles C4'-P-C4' energy: -133.032
flat angles P-C4'-P energy: -89.599
tors. eta vs tors. theta energy: -146.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1723.759262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.759262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.759262 (E_RNA)
where:
Base-Base interactions energy: -1162.223
where: short stacking energy: -510.887
Base-Backbone interact. energy: -2.068
local terms energy: -559.468384
where:
bonds (distance) C4'-P energy: -115.514
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -101.057
flat angles P-C4'-P energy: -82.270
tors. eta vs tors. theta energy: -150.553
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: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1441.138825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.138825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.138825 (E_RNA)
where:
Base-Base interactions energy: -932.489
where: short stacking energy: -405.866
Base-Backbone interact. energy: -3.028
local terms energy: -505.621483
where:
bonds (distance) C4'-P energy: -112.521
bonds (distance) P-C4' energy: -114.041
flat angles C4'-P-C4' energy: -113.124
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -99.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1362.991884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.991884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.991884 (E_RNA)
where:
Base-Base interactions energy: -895.855
where: short stacking energy: -389.391
Base-Backbone interact. energy: 3.746
local terms energy: -470.882136
where:
bonds (distance) C4'-P energy: -110.627
bonds (distance) P-C4' energy: -88.759
flat angles C4'-P-C4' energy: -107.567
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -97.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1279.668630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.668630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.668630 (E_RNA)
where:
Base-Base interactions energy: -844.376
where: short stacking energy: -355.213
Base-Backbone interact. energy: 1.455
local terms energy: -436.747346
where:
bonds (distance) C4'-P energy: -101.866
bonds (distance) P-C4' energy: -98.536
flat angles C4'-P-C4' energy: -91.365
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -72.512
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: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -964.800204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.800204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.800204 (E_RNA)
where:
Base-Base interactions energy: -576.517
where: short stacking energy: -262.945
Base-Backbone interact. energy: 4.606
local terms energy: -392.888594
where:
bonds (distance) C4'-P energy: -98.452
bonds (distance) P-C4' energy: -92.525
flat angles C4'-P-C4' energy: -100.272
flat angles P-C4'-P energy: -64.591
tors. eta vs tors. theta energy: -37.049
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: 461
Temperature: 1.350000
Total energy: -609.744842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.744842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.744842 (E_RNA)
where:
Base-Base interactions energy: -287.738
where: short stacking energy: -167.542
Base-Backbone interact. energy: -0.129
local terms energy: -321.878391
where:
bonds (distance) C4'-P energy: -97.762
bonds (distance) P-C4' energy: -93.937
flat angles C4'-P-C4' energy: -86.536
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2077.918383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.918383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.918383 (E_RNA)
where:
Base-Base interactions energy: -1462.070
where: short stacking energy: -580.946
Base-Backbone interact. energy: -1.962
local terms energy: -613.887232
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -118.611
flat angles C4'-P-C4' energy: -127.429
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -168.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1939.557289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.557289 (E_RNA)
where:
Base-Base interactions energy: -1345.828
where: short stacking energy: -555.384
Base-Backbone interact. energy: -4.997
local terms energy: -588.732183
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -111.724
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -86.942
tors. eta vs tors. theta energy: -152.049
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: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1867.154849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.154849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.154849 (E_RNA)
where:
Base-Base interactions energy: -1303.732
where: short stacking energy: -487.901
Base-Backbone interact. energy: -3.697
local terms energy: -559.725553
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -128.753
flat angles C4'-P-C4' energy: -128.291
flat angles P-C4'-P energy: -74.179
tors. eta vs tors. theta energy: -135.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1835.668782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.668782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.668782 (E_RNA)
where:
Base-Base interactions energy: -1285.869
where: short stacking energy: -533.947
Base-Backbone interact. energy: -5.503
local terms energy: -544.297029
where:
bonds (distance) C4'-P energy: -83.954
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -117.672
flat angles P-C4'-P energy: -82.790
tors. eta vs tors. theta energy: -146.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1716.098533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.098533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.098533 (E_RNA)
where:
Base-Base interactions energy: -1157.107
where: short stacking energy: -505.948
Base-Backbone interact. energy: 0.878
local terms energy: -559.869695
where:
bonds (distance) C4'-P energy: -102.824
bonds (distance) P-C4' energy: -108.428
flat angles C4'-P-C4' energy: -121.367
flat angles P-C4'-P energy: -85.240
tors. eta vs tors. theta energy: -142.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1446.335982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.335982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.335982 (E_RNA)
where:
Base-Base interactions energy: -947.360
where: short stacking energy: -404.266
Base-Backbone interact. energy: -0.372
local terms energy: -498.603805
where:
bonds (distance) C4'-P energy: -114.642
bonds (distance) P-C4' energy: -90.617
flat angles C4'-P-C4' energy: -119.184
flat angles P-C4'-P energy: -73.343
tors. eta vs tors. theta energy: -100.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1380.975136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.975136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.975136 (E_RNA)
where:
Base-Base interactions energy: -916.381
where: short stacking energy: -389.906
Base-Backbone interact. energy: 1.206
local terms energy: -465.799992
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -107.690
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -112.863
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: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1267.972660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.972660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.972660 (E_RNA)
where:
Base-Base interactions energy: -799.382
where: short stacking energy: -337.929
Base-Backbone interact. energy: -1.050
local terms energy: -467.540460
where:
bonds (distance) C4'-P energy: -98.040
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -117.643
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -80.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -932.916724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.916724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.916724 (E_RNA)
where:
Base-Base interactions energy: -558.971
where: short stacking energy: -260.152
Base-Backbone interact. energy: -2.517
local terms energy: -371.429250
where:
bonds (distance) C4'-P energy: -92.861
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -106.285
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -603.375902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.375902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.375902 (E_RNA)
where:
Base-Base interactions energy: -298.075
where: short stacking energy: -164.915
Base-Backbone interact. energy: 5.196
local terms energy: -310.496739
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -78.296
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: 13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2090.002252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.002252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.002252 (E_RNA)
where:
Base-Base interactions energy: -1487.714
where: short stacking energy: -603.033
Base-Backbone interact. energy: -1.635
local terms energy: -600.653013
where:
bonds (distance) C4'-P energy: -92.130
bonds (distance) P-C4' energy: -118.629
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -179.520
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: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1972.898522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.898522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.898522 (E_RNA)
where:
Base-Base interactions energy: -1362.074
where: short stacking energy: -573.904
Base-Backbone interact. energy: -4.144
local terms energy: -606.680523
where:
bonds (distance) C4'-P energy: -111.859
bonds (distance) P-C4' energy: -116.852
flat angles C4'-P-C4' energy: -120.025
flat angles P-C4'-P energy: -98.447
tors. eta vs tors. theta energy: -159.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1903.521042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.521042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.521042 (E_RNA)
where:
Base-Base interactions energy: -1327.408
where: short stacking energy: -531.827
Base-Backbone interact. energy: -3.502
local terms energy: -572.611773
where:
bonds (distance) C4'-P energy: -112.399
bonds (distance) P-C4' energy: -110.565
flat angles C4'-P-C4' energy: -124.011
flat angles P-C4'-P energy: -84.147
tors. eta vs tors. theta energy: -141.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1748.670335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.670335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.670335 (E_RNA)
where:
Base-Base interactions energy: -1200.986
where: short stacking energy: -518.688
Base-Backbone interact. energy: 1.280
local terms energy: -548.964339
where:
bonds (distance) C4'-P energy: -110.661
bonds (distance) P-C4' energy: -111.078
flat angles C4'-P-C4' energy: -109.723
flat angles P-C4'-P energy: -81.273
tors. eta vs tors. theta energy: -136.229
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: 463
Temperature: 1.100000
Total energy: -1690.737819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.737819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.737819 (E_RNA)
where:
Base-Base interactions energy: -1133.359
where: short stacking energy: -485.811
Base-Backbone interact. energy: -1.810
local terms energy: -555.569183
where:
bonds (distance) C4'-P energy: -107.830
bonds (distance) P-C4' energy: -93.696
flat angles C4'-P-C4' energy: -125.858
flat angles P-C4'-P energy: -74.673
tors. eta vs tors. theta energy: -153.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1428.569535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.569535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.569535 (E_RNA)
where:
Base-Base interactions energy: -912.577
where: short stacking energy: -392.794
Base-Backbone interact. energy: -1.433
local terms energy: -514.559397
where:
bonds (distance) C4'-P energy: -115.702
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -110.844
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -103.988
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: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1331.808149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.808149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.808149 (E_RNA)
where:
Base-Base interactions energy: -868.154
where: short stacking energy: -412.375
Base-Backbone interact. energy: -1.595
local terms energy: -462.058917
where:
bonds (distance) C4'-P energy: -97.661
bonds (distance) P-C4' energy: -97.514
flat angles C4'-P-C4' energy: -111.471
flat angles P-C4'-P energy: -58.331
tors. eta vs tors. theta energy: -97.082
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: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1295.041132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.041132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.041132 (E_RNA)
where:
Base-Base interactions energy: -858.873
where: short stacking energy: -377.988
Base-Backbone interact. energy: -0.739
local terms energy: -435.428977
where:
bonds (distance) C4'-P energy: -86.507
bonds (distance) P-C4' energy: -101.364
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -53.203
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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -953.077157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.077157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.077157 (E_RNA)
where:
Base-Base interactions energy: -590.162
where: short stacking energy: -239.549
Base-Backbone interact. energy: -1.748
local terms energy: -361.166807
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -100.499
flat angles C4'-P-C4' energy: -80.034
flat angles P-C4'-P energy: -57.323
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -664.654668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.654668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.654668 (E_RNA)
where:
Base-Base interactions energy: -328.339
where: short stacking energy: -204.578
Base-Backbone interact. energy: 3.164
local terms energy: -339.479638
where:
bonds (distance) C4'-P energy: -89.979
bonds (distance) P-C4' energy: -92.181
flat angles C4'-P-C4' energy: -82.215
flat angles P-C4'-P energy: -61.186
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2069.748040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.748040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.748040 (E_RNA)
where:
Base-Base interactions energy: -1446.789
where: short stacking energy: -589.243
Base-Backbone interact. energy: -6.473
local terms energy: -616.486440
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -129.724
flat angles P-C4'-P energy: -86.660
tors. eta vs tors. theta energy: -175.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1955.755610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.755610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.755610 (E_RNA)
where:
Base-Base interactions energy: -1370.967
where: short stacking energy: -580.108
Base-Backbone interact. energy: -5.838
local terms energy: -578.950127
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -124.634
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -162.761
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: 464
Temperature: 1.000000
Total energy: -1905.297490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.297490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.297490 (E_RNA)
where:
Base-Base interactions energy: -1327.611
where: short stacking energy: -537.550
Base-Backbone interact. energy: 2.092
local terms energy: -579.777991
where:
bonds (distance) C4'-P energy: -116.796
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -118.994
flat angles P-C4'-P energy: -88.669
tors. eta vs tors. theta energy: -150.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1753.572153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.572153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.572153 (E_RNA)
where:
Base-Base interactions energy: -1200.549
where: short stacking energy: -496.748
Base-Backbone interact. energy: 2.424
local terms energy: -555.447091
where:
bonds (distance) C4'-P energy: -99.846
bonds (distance) P-C4' energy: -112.089
flat angles C4'-P-C4' energy: -123.003
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -140.483
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: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1746.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.895914 (E_RNA)
where:
Base-Base interactions energy: -1183.803
where: short stacking energy: -518.693
Base-Backbone interact. energy: -1.243
local terms energy: -561.849247
where:
bonds (distance) C4'-P energy: -115.944
bonds (distance) P-C4' energy: -107.956
flat angles C4'-P-C4' energy: -110.406
flat angles P-C4'-P energy: -81.615
tors. eta vs tors. theta energy: -145.929
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: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1451.600879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.600879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.600879 (E_RNA)
where:
Base-Base interactions energy: -929.345
where: short stacking energy: -425.215
Base-Backbone interact. energy: -0.412
local terms energy: -521.844048
where:
bonds (distance) C4'-P energy: -108.007
bonds (distance) P-C4' energy: -117.150
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -100.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1350.490442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.490442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.490442 (E_RNA)
where:
Base-Base interactions energy: -896.918
where: short stacking energy: -390.583
Base-Backbone interact. energy: 0.727
local terms energy: -454.299891
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -102.223
flat angles P-C4'-P energy: -60.892
tors. eta vs tors. theta energy: -113.710
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: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1218.076179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.076179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.076179 (E_RNA)
where:
Base-Base interactions energy: -800.153
where: short stacking energy: -337.407
Base-Backbone interact. energy: 0.848
local terms energy: -418.770785
where:
bonds (distance) C4'-P energy: -96.979
bonds (distance) P-C4' energy: -115.983
flat angles C4'-P-C4' energy: -89.547
flat angles P-C4'-P energy: -53.008
tors. eta vs tors. theta energy: -63.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -968.035332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.035332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.035332 (E_RNA)
where:
Base-Base interactions energy: -592.070
where: short stacking energy: -266.287
Base-Backbone interact. energy: 2.171
local terms energy: -378.136075
where:
bonds (distance) C4'-P energy: -101.249
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -80.252
flat angles P-C4'-P energy: -65.609
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -604.633063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.633063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.633063 (E_RNA)
where:
Base-Base interactions energy: -273.826
where: short stacking energy: -164.964
Base-Backbone interact. energy: -3.417
local terms energy: -327.389762
where:
bonds (distance) C4'-P energy: -77.195
bonds (distance) P-C4' energy: -94.688
flat angles C4'-P-C4' energy: -97.023
flat angles P-C4'-P energy: -58.697
tors. eta vs tors. theta energy: 0.214
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: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2051.252940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.252940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.252940 (E_RNA)
where:
Base-Base interactions energy: -1438.055
where: short stacking energy: -581.724
Base-Backbone interact. energy: -3.554
local terms energy: -609.644790
where:
bonds (distance) C4'-P energy: -111.110
bonds (distance) P-C4' energy: -118.066
flat angles C4'-P-C4' energy: -128.884
flat angles P-C4'-P energy: -87.885
tors. eta vs tors. theta energy: -163.700
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: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1978.415673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.415673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.415673 (E_RNA)
where:
Base-Base interactions energy: -1369.299
where: short stacking energy: -559.223
Base-Backbone interact. energy: -7.838
local terms energy: -601.278821
where:
bonds (distance) C4'-P energy: -115.622
bonds (distance) P-C4' energy: -111.241
flat angles C4'-P-C4' energy: -127.747
flat angles P-C4'-P energy: -86.472
tors. eta vs tors. theta energy: -160.197
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: 465
Temperature: 1.000000
Total energy: -1891.616083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.616083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.616083 (E_RNA)
where:
Base-Base interactions energy: -1327.057
where: short stacking energy: -535.945
Base-Backbone interact. energy: 0.596
local terms energy: -565.155204
where:
bonds (distance) C4'-P energy: -111.133
bonds (distance) P-C4' energy: -115.007
flat angles C4'-P-C4' energy: -123.464
flat angles P-C4'-P energy: -70.009
tors. eta vs tors. theta energy: -145.542
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: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1758.460665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.460665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.460665 (E_RNA)
where:
Base-Base interactions energy: -1187.849
where: short stacking energy: -516.068
Base-Backbone interact. energy: 1.554
local terms energy: -572.164833
where:
bonds (distance) C4'-P energy: -115.272
bonds (distance) P-C4' energy: -105.526
flat angles C4'-P-C4' energy: -109.759
flat angles P-C4'-P energy: -86.988
tors. eta vs tors. theta energy: -154.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1737.405118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.405118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.405118 (E_RNA)
where:
Base-Base interactions energy: -1170.263
where: short stacking energy: -478.263
Base-Backbone interact. energy: -1.332
local terms energy: -565.810868
where:
bonds (distance) C4'-P energy: -98.304
bonds (distance) P-C4' energy: -112.529
flat angles C4'-P-C4' energy: -130.543
flat angles P-C4'-P energy: -79.590
tors. eta vs tors. theta energy: -144.845
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: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1471.858167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.858167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.858167 (E_RNA)
where:
Base-Base interactions energy: -985.189
where: short stacking energy: -437.836
Base-Backbone interact. energy: -1.073
local terms energy: -485.596433
where:
bonds (distance) C4'-P energy: -90.926
bonds (distance) P-C4' energy: -105.277
flat angles C4'-P-C4' energy: -114.858
flat angles P-C4'-P energy: -66.081
tors. eta vs tors. theta energy: -108.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1377.696098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.696098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.696098 (E_RNA)
where:
Base-Base interactions energy: -883.435
where: short stacking energy: -395.410
Base-Backbone interact. energy: 1.263
local terms energy: -495.523810
where:
bonds (distance) C4'-P energy: -98.975
bonds (distance) P-C4' energy: -111.683
flat angles C4'-P-C4' energy: -112.745
flat angles P-C4'-P energy: -72.525
tors. eta vs tors. theta energy: -99.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1241.608773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.608773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.608773 (E_RNA)
where:
Base-Base interactions energy: -814.677
where: short stacking energy: -339.731
Base-Backbone interact. energy: -1.465
local terms energy: -425.466522
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -89.910
flat angles P-C4'-P energy: -64.382
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1108.230992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.230992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.230992 (E_RNA)
where:
Base-Base interactions energy: -709.676
where: short stacking energy: -328.748
Base-Backbone interact. energy: 0.228
local terms energy: -398.783311
where:
bonds (distance) C4'-P energy: -84.633
bonds (distance) P-C4' energy: -100.619
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -65.844
tors. eta vs tors. theta energy: -64.789
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: 465
Temperature: 1.350000
Total energy: -628.171733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.171733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.171733 (E_RNA)
where:
Base-Base interactions energy: -326.843
where: short stacking energy: -158.097
Base-Backbone interact. energy: 0.813
local terms energy: -302.141881
where:
bonds (distance) C4'-P energy: -87.436
bonds (distance) P-C4' energy: -105.984
flat angles C4'-P-C4' energy: -82.898
flat angles P-C4'-P energy: -56.345
tors. eta vs tors. theta energy: 30.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2060.161256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.161256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.161256 (E_RNA)
where:
Base-Base interactions energy: -1440.579
where: short stacking energy: -581.633
Base-Backbone interact. energy: -4.740
local terms energy: -614.843134
where:
bonds (distance) C4'-P energy: -107.149
bonds (distance) P-C4' energy: -115.734
flat angles C4'-P-C4' energy: -129.943
flat angles P-C4'-P energy: -89.471
tors. eta vs tors. theta energy: -172.546
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1978.385806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.385806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.385806 (E_RNA)
where:
Base-Base interactions energy: -1378.075
where: short stacking energy: -567.353
Base-Backbone interact. energy: -0.432
local terms energy: -599.878279
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -113.439
flat angles C4'-P-C4' energy: -112.799
flat angles P-C4'-P energy: -87.416
tors. eta vs tors. theta energy: -162.773
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: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1904.062284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.062284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.062284 (E_RNA)
where:
Base-Base interactions energy: -1332.696
where: short stacking energy: -522.337
Base-Backbone interact. energy: -1.402
local terms energy: -569.964251
where:
bonds (distance) C4'-P energy: -118.790
bonds (distance) P-C4' energy: -108.101
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -75.519
tors. eta vs tors. theta energy: -150.072
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: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1780.017497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.017497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.017497 (E_RNA)
where:
Base-Base interactions energy: -1208.240
where: short stacking energy: -540.596
Base-Backbone interact. energy: -1.727
local terms energy: -570.049706
where:
bonds (distance) C4'-P energy: -91.527
bonds (distance) P-C4' energy: -107.068
flat angles C4'-P-C4' energy: -129.087
flat angles P-C4'-P energy: -80.353
tors. eta vs tors. theta energy: -162.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1722.980843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.980843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.980843 (E_RNA)
where:
Base-Base interactions energy: -1153.996
where: short stacking energy: -483.096
Base-Backbone interact. energy: -5.352
local terms energy: -563.632077
where:
bonds (distance) C4'-P energy: -98.434
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -126.121
flat angles P-C4'-P energy: -87.276
tors. eta vs tors. theta energy: -133.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1521.708582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.708582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.708582 (E_RNA)
where:
Base-Base interactions energy: -1007.016
where: short stacking energy: -456.840
Base-Backbone interact. energy: 1.193
local terms energy: -515.885659
where:
bonds (distance) C4'-P energy: -109.831
bonds (distance) P-C4' energy: -99.040
flat angles C4'-P-C4' energy: -112.480
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -116.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1410.645858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.645858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.645858 (E_RNA)
where:
Base-Base interactions energy: -942.431
where: short stacking energy: -391.134
Base-Backbone interact. energy: -2.021
local terms energy: -466.193338
where:
bonds (distance) C4'-P energy: -95.020
bonds (distance) P-C4' energy: -103.653
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -61.207
tors. eta vs tors. theta energy: -105.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1290.706441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.706441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.706441 (E_RNA)
where:
Base-Base interactions energy: -882.119
where: short stacking energy: -388.675
Base-Backbone interact. energy: -3.551
local terms energy: -405.036437
where:
bonds (distance) C4'-P energy: -92.605
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -90.621
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -77.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1029.302273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.302273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.302273 (E_RNA)
where:
Base-Base interactions energy: -668.656
where: short stacking energy: -315.067
Base-Backbone interact. energy: -0.644
local terms energy: -360.001498
where:
bonds (distance) C4'-P energy: -81.409
bonds (distance) P-C4' energy: -90.334
flat angles C4'-P-C4' energy: -86.307
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -52.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -587.340703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.340703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.340703 (E_RNA)
where:
Base-Base interactions energy: -267.399
where: short stacking energy: -154.090
Base-Backbone interact. energy: -3.602
local terms energy: -316.339706
where:
bonds (distance) C4'-P energy: -110.152
bonds (distance) P-C4' energy: -94.014
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: 21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2033.323231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.323231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.323231 (E_RNA)
where:
Base-Base interactions energy: -1398.291
where: short stacking energy: -570.131
Base-Backbone interact. energy: -6.203
local terms energy: -628.829464
where:
bonds (distance) C4'-P energy: -112.676
bonds (distance) P-C4' energy: -120.391
flat angles C4'-P-C4' energy: -132.412
flat angles P-C4'-P energy: -89.988
tors. eta vs tors. theta energy: -173.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1971.711826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.711826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.711826 (E_RNA)
where:
Base-Base interactions energy: -1375.300
where: short stacking energy: -567.050
Base-Backbone interact. energy: -2.168
local terms energy: -594.244025
where:
bonds (distance) C4'-P energy: -113.773
bonds (distance) P-C4' energy: -122.118
flat angles C4'-P-C4' energy: -120.301
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -159.309
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: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1942.413531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.413531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.413531 (E_RNA)
where:
Base-Base interactions energy: -1366.102
where: short stacking energy: -541.347
Base-Backbone interact. energy: 4.246
local terms energy: -580.557120
where:
bonds (distance) C4'-P energy: -103.558
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -121.621
flat angles P-C4'-P energy: -84.674
tors. eta vs tors. theta energy: -154.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1795.705796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.705796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.705796 (E_RNA)
where:
Base-Base interactions energy: -1217.405
where: short stacking energy: -513.637
Base-Backbone interact. energy: -2.592
local terms energy: -575.708628
where:
bonds (distance) C4'-P energy: -118.720
bonds (distance) P-C4' energy: -99.142
flat angles C4'-P-C4' energy: -130.609
flat angles P-C4'-P energy: -69.943
tors. eta vs tors. theta energy: -157.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1677.946275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.946275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.946275 (E_RNA)
where:
Base-Base interactions energy: -1135.341
where: short stacking energy: -474.545
Base-Backbone interact. energy: -0.979
local terms energy: -541.626559
where:
bonds (distance) C4'-P energy: -98.744
bonds (distance) P-C4' energy: -116.750
flat angles C4'-P-C4' energy: -120.148
flat angles P-C4'-P energy: -80.445
tors. eta vs tors. theta energy: -125.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1450.853414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.853414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.853414 (E_RNA)
where:
Base-Base interactions energy: -962.084
where: short stacking energy: -440.854
Base-Backbone interact. energy: -2.426
local terms energy: -486.343301
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -91.438
flat angles C4'-P-C4' energy: -120.499
flat angles P-C4'-P energy: -76.716
tors. eta vs tors. theta energy: -108.456
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: 467
Temperature: 1.200000
Total energy: -1436.547812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.547812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.547812 (E_RNA)
where:
Base-Base interactions energy: -960.960
where: short stacking energy: -419.604
Base-Backbone interact. energy: -1.281
local terms energy: -474.306885
where:
bonds (distance) C4'-P energy: -87.198
bonds (distance) P-C4' energy: -97.500
flat angles C4'-P-C4' energy: -108.873
flat angles P-C4'-P energy: -62.257
tors. eta vs tors. theta energy: -118.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1252.836189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.836189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.836189 (E_RNA)
where:
Base-Base interactions energy: -790.401
where: short stacking energy: -348.930
Base-Backbone interact. energy: 1.851
local terms energy: -464.285749
where:
bonds (distance) C4'-P energy: -99.146
bonds (distance) P-C4' energy: -116.430
flat angles C4'-P-C4' energy: -99.898
flat angles P-C4'-P energy: -70.178
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: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1042.268145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.268145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.268145 (E_RNA)
where:
Base-Base interactions energy: -637.721
where: short stacking energy: -300.621
Base-Backbone interact. energy: 0.925
local terms energy: -405.471931
where:
bonds (distance) C4'-P energy: -90.789
bonds (distance) P-C4' energy: -90.953
flat angles C4'-P-C4' energy: -102.514
flat angles P-C4'-P energy: -59.515
tors. eta vs tors. theta energy: -61.702
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: 467
Temperature: 1.350000
Total energy: -596.017806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.017806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.017806 (E_RNA)
where:
Base-Base interactions energy: -280.128
where: short stacking energy: -190.145
Base-Backbone interact. energy: 1.824
local terms energy: -317.714124
where:
bonds (distance) C4'-P energy: -94.049
bonds (distance) P-C4' energy: -89.915
flat angles C4'-P-C4' energy: -90.980
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -7.069
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: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2057.520260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.520260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.520260 (E_RNA)
where:
Base-Base interactions energy: -1431.824
where: short stacking energy: -588.947
Base-Backbone interact. energy: -5.903
local terms energy: -619.793417
where:
bonds (distance) C4'-P energy: -115.205
bonds (distance) P-C4' energy: -124.191
flat angles C4'-P-C4' energy: -120.156
flat angles P-C4'-P energy: -99.458
tors. eta vs tors. theta energy: -160.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1995.270203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.270203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.270203 (E_RNA)
where:
Base-Base interactions energy: -1404.912
where: short stacking energy: -570.306
Base-Backbone interact. energy: -4.630
local terms energy: -585.727579
where:
bonds (distance) C4'-P energy: -120.272
bonds (distance) P-C4' energy: -97.443
flat angles C4'-P-C4' energy: -120.373
flat angles P-C4'-P energy: -94.184
tors. eta vs tors. theta energy: -153.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1925.657175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.657175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.657175 (E_RNA)
where:
Base-Base interactions energy: -1335.255
where: short stacking energy: -537.248
Base-Backbone interact. energy: -4.472
local terms energy: -585.930197
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -121.742
flat angles C4'-P-C4' energy: -124.612
flat angles P-C4'-P energy: -78.788
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: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1769.358317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.358317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.358317 (E_RNA)
where:
Base-Base interactions energy: -1201.182
where: short stacking energy: -530.447
Base-Backbone interact. energy: -0.617
local terms energy: -567.559643
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -107.652
flat angles C4'-P-C4' energy: -128.045
flat angles P-C4'-P energy: -73.071
tors. eta vs tors. theta energy: -158.151
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: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1732.239008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.239008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.239008 (E_RNA)
where:
Base-Base interactions energy: -1179.110
where: short stacking energy: -506.347
Base-Backbone interact. energy: -4.591
local terms energy: -548.537918
where:
bonds (distance) C4'-P energy: -115.622
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -112.948
flat angles P-C4'-P energy: -71.855
tors. eta vs tors. theta energy: -148.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1431.225693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.225693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.225693 (E_RNA)
where:
Base-Base interactions energy: -948.898
where: short stacking energy: -432.254
Base-Backbone interact. energy: 0.089
local terms energy: -482.415990
where:
bonds (distance) C4'-P energy: -89.498
bonds (distance) P-C4' energy: -102.988
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -68.831
tors. eta vs tors. theta energy: -116.262
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1426.129961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.129961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.129961 (E_RNA)
where:
Base-Base interactions energy: -945.923
where: short stacking energy: -414.837
Base-Backbone interact. energy: -4.837
local terms energy: -475.369884
where:
bonds (distance) C4'-P energy: -101.651
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -112.249
flat angles P-C4'-P energy: -64.499
tors. eta vs tors. theta energy: -113.571
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: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1308.139898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.139898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.139898 (E_RNA)
where:
Base-Base interactions energy: -847.981
where: short stacking energy: -388.381
Base-Backbone interact. energy: 1.028
local terms energy: -461.186179
where:
bonds (distance) C4'-P energy: -98.592
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -107.823
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -101.127
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: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1067.688498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.688498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.688498 (E_RNA)
where:
Base-Base interactions energy: -661.230
where: short stacking energy: -310.662
Base-Backbone interact. energy: 3.414
local terms energy: -409.872243
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -105.411
flat angles P-C4'-P energy: -57.521
tors. eta vs tors. theta energy: -46.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -643.713683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.713683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.713683 (E_RNA)
where:
Base-Base interactions energy: -304.177
where: short stacking energy: -173.747
Base-Backbone interact. energy: 4.851
local terms energy: -344.387990
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -104.727
flat angles C4'-P-C4' energy: -68.969
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -17.080
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: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2054.628682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.628682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.628682 (E_RNA)
where:
Base-Base interactions energy: -1421.639
where: short stacking energy: -605.645
Base-Backbone interact. energy: -3.541
local terms energy: -629.448488
where:
bonds (distance) C4'-P energy: -113.314
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -139.529
flat angles P-C4'-P energy: -105.756
tors. eta vs tors. theta energy: -166.658
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: 469
Temperature: 0.950000
Total energy: -1998.914534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.914534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.914534 (E_RNA)
where:
Base-Base interactions energy: -1423.996
where: short stacking energy: -581.765
Base-Backbone interact. energy: -2.785
local terms energy: -572.133134
where:
bonds (distance) C4'-P energy: -108.369
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -119.929
flat angles P-C4'-P energy: -73.145
tors. eta vs tors. theta energy: -157.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1926.080205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.080205 (E_RNA)
where:
Base-Base interactions energy: -1332.916
where: short stacking energy: -523.332
Base-Backbone interact. energy: -5.394
local terms energy: -587.770207
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -118.518
flat angles C4'-P-C4' energy: -130.851
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -153.954
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: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1781.453619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.453619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.453619 (E_RNA)
where:
Base-Base interactions energy: -1220.029
where: short stacking energy: -534.283
Base-Backbone interact. energy: -1.207
local terms energy: -560.218064
where:
bonds (distance) C4'-P energy: -107.044
bonds (distance) P-C4' energy: -106.848
flat angles C4'-P-C4' energy: -119.284
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -151.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1746.394910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.394910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.394910 (E_RNA)
where:
Base-Base interactions energy: -1206.617
where: short stacking energy: -511.496
Base-Backbone interact. energy: 0.029
local terms energy: -539.807677
where:
bonds (distance) C4'-P energy: -91.607
bonds (distance) P-C4' energy: -100.712
flat angles C4'-P-C4' energy: -130.487
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -145.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1472.559804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.559804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.559804 (E_RNA)
where:
Base-Base interactions energy: -983.457
where: short stacking energy: -442.034
Base-Backbone interact. energy: 1.689
local terms energy: -490.792305
where:
bonds (distance) C4'-P energy: -89.057
bonds (distance) P-C4' energy: -109.980
flat angles C4'-P-C4' energy: -115.931
flat angles P-C4'-P energy: -71.169
tors. eta vs tors. theta energy: -104.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1370.182120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.182120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.182120 (E_RNA)
where:
Base-Base interactions energy: -908.615
where: short stacking energy: -368.134
Base-Backbone interact. energy: -0.801
local terms energy: -460.766599
where:
bonds (distance) C4'-P energy: -107.953
bonds (distance) P-C4' energy: -96.024
flat angles C4'-P-C4' energy: -97.281
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -75.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1268.473694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.473694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.473694 (E_RNA)
where:
Base-Base interactions energy: -801.284
where: short stacking energy: -374.379
Base-Backbone interact. energy: -1.107
local terms energy: -466.082575
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -107.780
flat angles C4'-P-C4' energy: -99.825
flat angles P-C4'-P energy: -76.779
tors. eta vs tors. theta energy: -83.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1126.613080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.613080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.613080 (E_RNA)
where:
Base-Base interactions energy: -704.491
where: short stacking energy: -352.601
Base-Backbone interact. energy: -0.826
local terms energy: -421.296195
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -79.748
flat angles C4'-P-C4' energy: -95.554
flat angles P-C4'-P energy: -68.858
tors. eta vs tors. theta energy: -70.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -596.404966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.404966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.404966 (E_RNA)
where:
Base-Base interactions energy: -299.252
where: short stacking energy: -160.906
Base-Backbone interact. energy: -5.512
local terms energy: -291.641269
where:
bonds (distance) C4'-P energy: -79.865
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -77.037
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: 11.123
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2032.486927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.486927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.486927 (E_RNA)
where:
Base-Base interactions energy: -1437.443
where: short stacking energy: -594.213
Base-Backbone interact. energy: -0.346
local terms energy: -594.697943
where:
bonds (distance) C4'-P energy: -116.780
bonds (distance) P-C4' energy: -106.452
flat angles C4'-P-C4' energy: -125.952
flat angles P-C4'-P energy: -80.119
tors. eta vs tors. theta energy: -165.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2010.222497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.222497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.222497 (E_RNA)
where:
Base-Base interactions energy: -1410.550
where: short stacking energy: -579.765
Base-Backbone interact. energy: 0.942
local terms energy: -600.614422
where:
bonds (distance) C4'-P energy: -116.121
bonds (distance) P-C4' energy: -110.404
flat angles C4'-P-C4' energy: -123.289
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -165.284
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: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1848.016298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.016298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.016298 (E_RNA)
where:
Base-Base interactions energy: -1312.671
where: short stacking energy: -502.455
Base-Backbone interact. energy: 0.278
local terms energy: -535.623011
where:
bonds (distance) C4'-P energy: -98.111
bonds (distance) P-C4' energy: -105.383
flat angles C4'-P-C4' energy: -127.245
flat angles P-C4'-P energy: -69.070
tors. eta vs tors. theta energy: -135.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1767.493567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.493567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.493567 (E_RNA)
where:
Base-Base interactions energy: -1193.379
where: short stacking energy: -531.574
Base-Backbone interact. energy: -2.537
local terms energy: -571.576866
where:
bonds (distance) C4'-P energy: -103.800
bonds (distance) P-C4' energy: -113.424
flat angles C4'-P-C4' energy: -121.231
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -157.335
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: 470
Temperature: 1.100000
Total energy: -1727.170709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.170709 (E_RNA)
where:
Base-Base interactions energy: -1183.442
where: short stacking energy: -497.857
Base-Backbone interact. energy: -2.641
local terms energy: -541.088437
where:
bonds (distance) C4'-P energy: -101.985
bonds (distance) P-C4' energy: -102.723
flat angles C4'-P-C4' energy: -127.767
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -150.026
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: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1451.355545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.355545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.355545 (E_RNA)
where:
Base-Base interactions energy: -956.571
where: short stacking energy: -416.310
Base-Backbone interact. energy: -1.622
local terms energy: -493.163426
where:
bonds (distance) C4'-P energy: -90.609
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -115.148
flat angles P-C4'-P energy: -67.148
tors. eta vs tors. theta energy: -107.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1399.998892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.998892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.998892 (E_RNA)
where:
Base-Base interactions energy: -902.201
where: short stacking energy: -392.924
Base-Backbone interact. energy: -1.457
local terms energy: -496.340954
where:
bonds (distance) C4'-P energy: -121.615
bonds (distance) P-C4' energy: -87.578
flat angles C4'-P-C4' energy: -120.740
flat angles P-C4'-P energy: -77.687
tors. eta vs tors. theta energy: -88.720
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: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1268.834444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.834444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.834444 (E_RNA)
where:
Base-Base interactions energy: -836.156
where: short stacking energy: -354.147
Base-Backbone interact. energy: 2.757
local terms energy: -435.435391
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -103.541
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -72.107
tors. eta vs tors. theta energy: -85.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1079.074522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.074522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.074522 (E_RNA)
where:
Base-Base interactions energy: -697.829
where: short stacking energy: -298.307
Base-Backbone interact. energy: 2.611
local terms energy: -383.856110
where:
bonds (distance) C4'-P energy: -89.031
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -53.825
tors. eta vs tors. theta energy: -47.154
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: 470
Temperature: 1.350000
Total energy: -555.637873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.637873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.637873 (E_RNA)
where:
Base-Base interactions energy: -256.830
where: short stacking energy: -139.984
Base-Backbone interact. energy: 0.625
local terms energy: -299.432898
where:
bonds (distance) C4'-P energy: -86.803
bonds (distance) P-C4' energy: -96.421
flat angles C4'-P-C4' energy: -73.154
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: 9.090
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: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2046.036946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.036946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.036946 (E_RNA)
where:
Base-Base interactions energy: -1428.840
where: short stacking energy: -603.040
Base-Backbone interact. energy: -1.269
local terms energy: -615.927747
where:
bonds (distance) C4'-P energy: -116.227
bonds (distance) P-C4' energy: -113.482
flat angles C4'-P-C4' energy: -130.615
flat angles P-C4'-P energy: -81.543
tors. eta vs tors. theta energy: -174.062
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: 471
Temperature: 0.950000
Total energy: -1992.483768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.483768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.483768 (E_RNA)
where:
Base-Base interactions energy: -1380.252
where: short stacking energy: -552.963
Base-Backbone interact. energy: 1.534
local terms energy: -613.766306
where:
bonds (distance) C4'-P energy: -112.466
bonds (distance) P-C4' energy: -113.159
flat angles C4'-P-C4' energy: -134.654
flat angles P-C4'-P energy: -86.286
tors. eta vs tors. theta energy: -167.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1870.340493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.340493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.340493 (E_RNA)
where:
Base-Base interactions energy: -1304.045
where: short stacking energy: -524.804
Base-Backbone interact. energy: -0.578
local terms energy: -565.716955
where:
bonds (distance) C4'-P energy: -111.106
bonds (distance) P-C4' energy: -113.810
flat angles C4'-P-C4' energy: -122.914
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -147.442
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: 471
Temperature: 1.050000
Total energy: -1755.562471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.562471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.562471 (E_RNA)
where:
Base-Base interactions energy: -1184.303
where: short stacking energy: -543.307
Base-Backbone interact. energy: 1.824
local terms energy: -573.083885
where:
bonds (distance) C4'-P energy: -108.959
bonds (distance) P-C4' energy: -101.052
flat angles C4'-P-C4' energy: -127.887
flat angles P-C4'-P energy: -78.370
tors. eta vs tors. theta energy: -156.816
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: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1732.869320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.869320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.869320 (E_RNA)
where:
Base-Base interactions energy: -1186.423
where: short stacking energy: -523.834
Base-Backbone interact. energy: 0.051
local terms energy: -546.496834
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -119.563
flat angles C4'-P-C4' energy: -111.581
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -144.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1424.081298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.081298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.081298 (E_RNA)
where:
Base-Base interactions energy: -936.112
where: short stacking energy: -420.203
Base-Backbone interact. energy: -5.083
local terms energy: -482.886093
where:
bonds (distance) C4'-P energy: -92.331
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -102.796
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -104.895
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: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1337.046639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.046639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.046639 (E_RNA)
where:
Base-Base interactions energy: -920.033
where: short stacking energy: -386.266
Base-Backbone interact. energy: 2.626
local terms energy: -419.639573
where:
bonds (distance) C4'-P energy: -79.756
bonds (distance) P-C4' energy: -83.772
flat angles C4'-P-C4' energy: -109.190
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: -81.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1305.067421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.067421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.067421 (E_RNA)
where:
Base-Base interactions energy: -847.190
where: short stacking energy: -375.976
Base-Backbone interact. energy: -1.891
local terms energy: -455.985950
where:
bonds (distance) C4'-P energy: -93.995
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -105.681
flat angles P-C4'-P energy: -61.043
tors. eta vs tors. theta energy: -90.158
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: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1104.978297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.978297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.978297 (E_RNA)
where:
Base-Base interactions energy: -730.597
where: short stacking energy: -315.867
Base-Backbone interact. energy: -2.058
local terms energy: -372.323032
where:
bonds (distance) C4'-P energy: -95.316
bonds (distance) P-C4' energy: -84.679
flat angles C4'-P-C4' energy: -98.582
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -45.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -609.013718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.013718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.013718 (E_RNA)
where:
Base-Base interactions energy: -319.009
where: short stacking energy: -172.582
Base-Backbone interact. energy: 0.041
local terms energy: -290.045351
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -82.138
flat angles C4'-P-C4' energy: -62.456
flat angles P-C4'-P energy: -63.097
tors. eta vs tors. theta energy: 5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2055.720311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.720311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.720311 (E_RNA)
where:
Base-Base interactions energy: -1414.492
where: short stacking energy: -613.085
Base-Backbone interact. energy: 0.465
local terms energy: -641.693598
where:
bonds (distance) C4'-P energy: -112.622
bonds (distance) P-C4' energy: -130.615
flat angles C4'-P-C4' energy: -129.040
flat angles P-C4'-P energy: -95.390
tors. eta vs tors. theta energy: -174.027
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: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1963.197448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.197448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.197448 (E_RNA)
where:
Base-Base interactions energy: -1381.849
where: short stacking energy: -561.030
Base-Backbone interact. energy: -4.920
local terms energy: -576.428940
where:
bonds (distance) C4'-P energy: -99.847
bonds (distance) P-C4' energy: -118.585
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -87.556
tors. eta vs tors. theta energy: -158.969
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: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1885.694700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.694700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.694700 (E_RNA)
where:
Base-Base interactions energy: -1329.396
where: short stacking energy: -519.834
Base-Backbone interact. energy: -1.245
local terms energy: -555.053565
where:
bonds (distance) C4'-P energy: -92.696
bonds (distance) P-C4' energy: -115.070
flat angles C4'-P-C4' energy: -121.478
flat angles P-C4'-P energy: -86.895
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: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1739.802415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.802415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.802415 (E_RNA)
where:
Base-Base interactions energy: -1176.908
where: short stacking energy: -527.539
Base-Backbone interact. energy: -0.989
local terms energy: -561.904832
where:
bonds (distance) C4'-P energy: -102.236
bonds (distance) P-C4' energy: -96.355
flat angles C4'-P-C4' energy: -128.230
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -156.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1658.090449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.090449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.090449 (E_RNA)
where:
Base-Base interactions energy: -1120.051
where: short stacking energy: -470.434
Base-Backbone interact. energy: 3.420
local terms energy: -541.459636
where:
bonds (distance) C4'-P energy: -99.312
bonds (distance) P-C4' energy: -104.616
flat angles C4'-P-C4' energy: -124.324
flat angles P-C4'-P energy: -84.599
tors. eta vs tors. theta energy: -128.610
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: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1497.050132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.050132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.050132 (E_RNA)
where:
Base-Base interactions energy: -981.313
where: short stacking energy: -445.903
Base-Backbone interact. energy: -2.572
local terms energy: -513.165030
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -105.928
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -76.906
tors. eta vs tors. theta energy: -119.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1348.354893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.354893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.354893 (E_RNA)
where:
Base-Base interactions energy: -892.949
where: short stacking energy: -405.542
Base-Backbone interact. energy: -1.713
local terms energy: -453.692336
where:
bonds (distance) C4'-P energy: -73.937
bonds (distance) P-C4' energy: -110.688
flat angles C4'-P-C4' energy: -100.534
flat angles P-C4'-P energy: -67.702
tors. eta vs tors. theta energy: -100.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1273.936287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.936287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.936287 (E_RNA)
where:
Base-Base interactions energy: -857.851
where: short stacking energy: -377.985
Base-Backbone interact. energy: -0.081
local terms energy: -416.004190
where:
bonds (distance) C4'-P energy: -83.253
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -95.498
flat angles P-C4'-P energy: -61.476
tors. eta vs tors. theta energy: -81.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1177.814442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.814442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.814442 (E_RNA)
where:
Base-Base interactions energy: -767.019
where: short stacking energy: -346.028
Base-Backbone interact. energy: 1.059
local terms energy: -411.854313
where:
bonds (distance) C4'-P energy: -102.942
bonds (distance) P-C4' energy: -97.439
flat angles C4'-P-C4' energy: -90.586
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -73.000
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: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -592.001600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.001600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.001600 (E_RNA)
where:
Base-Base interactions energy: -289.650
where: short stacking energy: -153.314
Base-Backbone interact. energy: -1.281
local terms energy: -301.070328
where:
bonds (distance) C4'-P energy: -97.126
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -86.754
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: 15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2089.893112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.893112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.893112 (E_RNA)
where:
Base-Base interactions energy: -1453.284
where: short stacking energy: -619.221
Base-Backbone interact. energy: -3.509
local terms energy: -633.100799
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -119.945
flat angles C4'-P-C4' energy: -129.045
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -174.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1991.566984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.566984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.566984 (E_RNA)
where:
Base-Base interactions energy: -1405.455
where: short stacking energy: -578.098
Base-Backbone interact. energy: -2.109
local terms energy: -584.002727
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -115.130
flat angles C4'-P-C4' energy: -124.185
flat angles P-C4'-P energy: -83.427
tors. eta vs tors. theta energy: -157.637
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: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1878.154241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.154241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.154241 (E_RNA)
where:
Base-Base interactions energy: -1318.895
where: short stacking energy: -523.164
Base-Backbone interact. energy: -2.991
local terms energy: -556.267326
where:
bonds (distance) C4'-P energy: -95.056
bonds (distance) P-C4' energy: -115.286
flat angles C4'-P-C4' energy: -117.628
flat angles P-C4'-P energy: -79.830
tors. eta vs tors. theta energy: -148.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1725.403048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.403048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.403048 (E_RNA)
where:
Base-Base interactions energy: -1161.163
where: short stacking energy: -505.459
Base-Backbone interact. energy: 2.516
local terms energy: -566.756194
where:
bonds (distance) C4'-P energy: -113.769
bonds (distance) P-C4' energy: -116.680
flat angles C4'-P-C4' energy: -114.709
flat angles P-C4'-P energy: -85.639
tors. eta vs tors. theta energy: -135.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1637.432713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.432713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.432713 (E_RNA)
where:
Base-Base interactions energy: -1108.598
where: short stacking energy: -462.563
Base-Backbone interact. energy: -0.885
local terms energy: -527.949598
where:
bonds (distance) C4'-P energy: -106.297
bonds (distance) P-C4' energy: -111.127
flat angles C4'-P-C4' energy: -114.070
flat angles P-C4'-P energy: -74.643
tors. eta vs tors. theta energy: -121.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1444.592578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.592578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.592578 (E_RNA)
where:
Base-Base interactions energy: -986.028
where: short stacking energy: -440.529
Base-Backbone interact. energy: -0.352
local terms energy: -458.212886
where:
bonds (distance) C4'-P energy: -92.708
bonds (distance) P-C4' energy: -100.681
flat angles C4'-P-C4' energy: -100.467
flat angles P-C4'-P energy: -60.302
tors. eta vs tors. theta energy: -104.055
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1324.732351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.732351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.732351 (E_RNA)
where:
Base-Base interactions energy: -880.099
where: short stacking energy: -367.352
Base-Backbone interact. energy: -1.335
local terms energy: -443.298510
where:
bonds (distance) C4'-P energy: -92.884
bonds (distance) P-C4' energy: -98.622
flat angles C4'-P-C4' energy: -105.482
flat angles P-C4'-P energy: -73.801
tors. eta vs tors. theta energy: -72.509
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: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1304.632466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.632466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.632466 (E_RNA)
where:
Base-Base interactions energy: -843.923
where: short stacking energy: -381.721
Base-Backbone interact. energy: 2.279
local terms energy: -462.988363
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -100.774
flat angles C4'-P-C4' energy: -104.355
flat angles P-C4'-P energy: -59.688
tors. eta vs tors. theta energy: -98.606
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: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1100.242922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.242922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.242922 (E_RNA)
where:
Base-Base interactions energy: -688.173
where: short stacking energy: -323.359
Base-Backbone interact. energy: -3.415
local terms energy: -408.655691
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -97.839
flat angles C4'-P-C4' energy: -100.322
flat angles P-C4'-P energy: -69.442
tors. eta vs tors. theta energy: -52.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -600.043625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.043625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.043625 (E_RNA)
where:
Base-Base interactions energy: -299.220
where: short stacking energy: -165.832
Base-Backbone interact. energy: -2.139
local terms energy: -298.684429
where:
bonds (distance) C4'-P energy: -99.048
bonds (distance) P-C4' energy: -95.151
flat angles C4'-P-C4' energy: -70.154
flat angles P-C4'-P energy: -24.679
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2089.358658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.358658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.358658 (E_RNA)
where:
Base-Base interactions energy: -1442.012
where: short stacking energy: -605.541
Base-Backbone interact. energy: -1.943
local terms energy: -645.404553
where:
bonds (distance) C4'-P energy: -129.955
bonds (distance) P-C4' energy: -119.847
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -177.533
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: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2039.611223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.611223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.611223 (E_RNA)
where:
Base-Base interactions energy: -1405.968
where: short stacking energy: -555.751
Base-Backbone interact. energy: -4.988
local terms energy: -628.654613
where:
bonds (distance) C4'-P energy: -124.025
bonds (distance) P-C4' energy: -118.301
flat angles C4'-P-C4' energy: -126.179
flat angles P-C4'-P energy: -93.611
tors. eta vs tors. theta energy: -166.538
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: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1895.142451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.142451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.142451 (E_RNA)
where:
Base-Base interactions energy: -1325.831
where: short stacking energy: -552.308
Base-Backbone interact. energy: -0.695
local terms energy: -568.617112
where:
bonds (distance) C4'-P energy: -113.695
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -123.076
flat angles P-C4'-P energy: -78.370
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: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1776.727511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.727511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.727511 (E_RNA)
where:
Base-Base interactions energy: -1240.555
where: short stacking energy: -540.261
Base-Backbone interact. energy: -1.851
local terms energy: -534.321456
where:
bonds (distance) C4'-P energy: -97.557
bonds (distance) P-C4' energy: -97.876
flat angles C4'-P-C4' energy: -115.511
flat angles P-C4'-P energy: -77.043
tors. eta vs tors. theta energy: -146.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1674.030801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.030801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.030801 (E_RNA)
where:
Base-Base interactions energy: -1139.388
where: short stacking energy: -483.178
Base-Backbone interact. energy: -0.189
local terms energy: -534.454005
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -104.606
flat angles C4'-P-C4' energy: -125.260
flat angles P-C4'-P energy: -84.734
tors. eta vs tors. theta energy: -125.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1433.267608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.267608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.267608 (E_RNA)
where:
Base-Base interactions energy: -931.872
where: short stacking energy: -406.343
Base-Backbone interact. energy: 4.580
local terms energy: -505.975664
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -115.386
flat angles C4'-P-C4' energy: -107.233
flat angles P-C4'-P energy: -78.438
tors. eta vs tors. theta energy: -96.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1371.039639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.039639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.039639 (E_RNA)
where:
Base-Base interactions energy: -894.535
where: short stacking energy: -384.486
Base-Backbone interact. energy: -1.825
local terms energy: -474.679749
where:
bonds (distance) C4'-P energy: -86.465
bonds (distance) P-C4' energy: -92.325
flat angles C4'-P-C4' energy: -122.731
flat angles P-C4'-P energy: -66.794
tors. eta vs tors. theta energy: -106.365
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1338.184033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.184033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.184033 (E_RNA)
where:
Base-Base interactions energy: -888.743
where: short stacking energy: -392.620
Base-Backbone interact. energy: -1.207
local terms energy: -448.234003
where:
bonds (distance) C4'-P energy: -81.314
bonds (distance) P-C4' energy: -95.626
flat angles C4'-P-C4' energy: -103.627
flat angles P-C4'-P energy: -70.736
tors. eta vs tors. theta energy: -96.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1081.762659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.762659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.762659 (E_RNA)
where:
Base-Base interactions energy: -687.630
where: short stacking energy: -319.278
Base-Backbone interact. energy: 1.418
local terms energy: -395.551505
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -92.855
flat angles P-C4'-P energy: -75.863
tors. eta vs tors. theta energy: -55.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -563.476317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.476317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.476317 (E_RNA)
where:
Base-Base interactions energy: -252.660
where: short stacking energy: -172.847
Base-Backbone interact. energy: -0.848
local terms energy: -309.968926
where:
bonds (distance) C4'-P energy: -103.113
bonds (distance) P-C4' energy: -90.175
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: 21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2052.863865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.863865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.863865 (E_RNA)
where:
Base-Base interactions energy: -1420.096
where: short stacking energy: -589.887
Base-Backbone interact. energy: -2.250
local terms energy: -630.518076
where:
bonds (distance) C4'-P energy: -106.690
bonds (distance) P-C4' energy: -122.354
flat angles C4'-P-C4' energy: -130.874
flat angles P-C4'-P energy: -90.225
tors. eta vs tors. theta energy: -180.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2020.416106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.416106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.416106 (E_RNA)
where:
Base-Base interactions energy: -1404.380
where: short stacking energy: -583.215
Base-Backbone interact. energy: -4.741
local terms energy: -611.295269
where:
bonds (distance) C4'-P energy: -92.906
bonds (distance) P-C4' energy: -125.370
flat angles C4'-P-C4' energy: -124.539
flat angles P-C4'-P energy: -93.319
tors. eta vs tors. theta energy: -175.161
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: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1895.079847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.079847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.079847 (E_RNA)
where:
Base-Base interactions energy: -1324.842
where: short stacking energy: -510.660
Base-Backbone interact. energy: -2.323
local terms energy: -567.914809
where:
bonds (distance) C4'-P energy: -114.684
bonds (distance) P-C4' energy: -113.181
flat angles C4'-P-C4' energy: -111.135
flat angles P-C4'-P energy: -85.760
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: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1788.937540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.937540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.937540 (E_RNA)
where:
Base-Base interactions energy: -1223.563
where: short stacking energy: -533.191
Base-Backbone interact. energy: -1.321
local terms energy: -564.053619
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -100.384
flat angles C4'-P-C4' energy: -117.019
flat angles P-C4'-P energy: -89.053
tors. eta vs tors. theta energy: -154.711
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1658.676647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.676647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.676647 (E_RNA)
where:
Base-Base interactions energy: -1132.563
where: short stacking energy: -469.778
Base-Backbone interact. energy: -2.461
local terms energy: -523.653080
where:
bonds (distance) C4'-P energy: -102.986
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -117.214
flat angles P-C4'-P energy: -73.006
tors. eta vs tors. theta energy: -120.986
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: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1478.459477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.459477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.459477 (E_RNA)
where:
Base-Base interactions energy: -981.506
where: short stacking energy: -433.201
Base-Backbone interact. energy: -3.003
local terms energy: -493.950757
where:
bonds (distance) C4'-P energy: -89.707
bonds (distance) P-C4' energy: -103.904
flat angles C4'-P-C4' energy: -101.986
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -124.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1354.286976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.286976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.286976 (E_RNA)
where:
Base-Base interactions energy: -908.929
where: short stacking energy: -423.665
Base-Backbone interact. energy: -0.504
local terms energy: -444.853546
where:
bonds (distance) C4'-P energy: -66.454
bonds (distance) P-C4' energy: -109.835
flat angles C4'-P-C4' energy: -105.895
flat angles P-C4'-P energy: -66.996
tors. eta vs tors. theta energy: -95.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1243.792931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.792931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.792931 (E_RNA)
where:
Base-Base interactions energy: -809.095
where: short stacking energy: -364.766
Base-Backbone interact. energy: -1.317
local terms energy: -433.380337
where:
bonds (distance) C4'-P energy: -100.230
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -104.894
flat angles P-C4'-P energy: -57.449
tors. eta vs tors. theta energy: -78.226
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1003.126973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.126973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.126973 (E_RNA)
where:
Base-Base interactions energy: -619.502
where: short stacking energy: -283.777
Base-Backbone interact. energy: 2.056
local terms energy: -385.680872
where:
bonds (distance) C4'-P energy: -92.653
bonds (distance) P-C4' energy: -104.653
flat angles C4'-P-C4' energy: -96.058
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -666.463200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.463200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.463200 (E_RNA)
where:
Base-Base interactions energy: -342.454
where: short stacking energy: -197.179
Base-Backbone interact. energy: -1.400
local terms energy: -322.609289
where:
bonds (distance) C4'-P energy: -90.289
bonds (distance) P-C4' energy: -91.584
flat angles C4'-P-C4' energy: -71.772
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -27.144
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: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2089.442113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.442113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.442113 (E_RNA)
where:
Base-Base interactions energy: -1462.800
where: short stacking energy: -586.828
Base-Backbone interact. energy: -3.314
local terms energy: -623.328017
where:
bonds (distance) C4'-P energy: -118.092
bonds (distance) P-C4' energy: -110.960
flat angles C4'-P-C4' energy: -135.577
flat angles P-C4'-P energy: -95.201
tors. eta vs tors. theta energy: -163.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1987.530446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.530446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.530446 (E_RNA)
where:
Base-Base interactions energy: -1377.823
where: short stacking energy: -552.554
Base-Backbone interact. energy: -2.419
local terms energy: -607.288285
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -106.898
flat angles C4'-P-C4' energy: -127.938
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -170.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1866.167679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.167679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.167679 (E_RNA)
where:
Base-Base interactions energy: -1279.585
where: short stacking energy: -512.992
Base-Backbone interact. energy: -1.524
local terms energy: -585.059379
where:
bonds (distance) C4'-P energy: -117.637
bonds (distance) P-C4' energy: -114.102
flat angles C4'-P-C4' energy: -128.494
flat angles P-C4'-P energy: -80.810
tors. eta vs tors. theta energy: -144.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1786.718150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.718150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.718150 (E_RNA)
where:
Base-Base interactions energy: -1204.496
where: short stacking energy: -526.915
Base-Backbone interact. energy: -1.023
local terms energy: -581.198724
where:
bonds (distance) C4'-P energy: -111.311
bonds (distance) P-C4' energy: -105.548
flat angles C4'-P-C4' energy: -123.645
flat angles P-C4'-P energy: -85.138
tors. eta vs tors. theta energy: -155.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1692.923108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.923108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.923108 (E_RNA)
where:
Base-Base interactions energy: -1178.603
where: short stacking energy: -493.437
Base-Backbone interact. energy: -1.984
local terms energy: -512.335861
where:
bonds (distance) C4'-P energy: -86.437
bonds (distance) P-C4' energy: -93.182
flat angles C4'-P-C4' energy: -123.683
flat angles P-C4'-P energy: -78.575
tors. eta vs tors. theta energy: -130.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1476.165277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.165277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.165277 (E_RNA)
where:
Base-Base interactions energy: -984.398
where: short stacking energy: -430.791
Base-Backbone interact. energy: 0.271
local terms energy: -492.038449
where:
bonds (distance) C4'-P energy: -85.405
bonds (distance) P-C4' energy: -110.408
flat angles C4'-P-C4' energy: -102.873
flat angles P-C4'-P energy: -83.828
tors. eta vs tors. theta energy: -109.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1412.577832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.577832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.577832 (E_RNA)
where:
Base-Base interactions energy: -927.549
where: short stacking energy: -413.869
Base-Backbone interact. energy: -1.608
local terms energy: -483.419994
where:
bonds (distance) C4'-P energy: -97.956
bonds (distance) P-C4' energy: -91.217
flat angles C4'-P-C4' energy: -115.263
flat angles P-C4'-P energy: -71.326
tors. eta vs tors. theta energy: -107.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1260.632839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.632839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.632839 (E_RNA)
where:
Base-Base interactions energy: -835.619
where: short stacking energy: -352.317
Base-Backbone interact. energy: -3.163
local terms energy: -421.851655
where:
bonds (distance) C4'-P energy: -93.724
bonds (distance) P-C4' energy: -104.879
flat angles C4'-P-C4' energy: -90.389
flat angles P-C4'-P energy: -58.997
tors. eta vs tors. theta energy: -73.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1004.261520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.261520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.261520 (E_RNA)
where:
Base-Base interactions energy: -633.503
where: short stacking energy: -290.307
Base-Backbone interact. energy: -2.197
local terms energy: -368.561468
where:
bonds (distance) C4'-P energy: -84.730
bonds (distance) P-C4' energy: -82.774
flat angles C4'-P-C4' energy: -91.423
flat angles P-C4'-P energy: -64.553
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -623.415227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.415227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.415227 (E_RNA)
where:
Base-Base interactions energy: -309.346
where: short stacking energy: -195.780
Base-Backbone interact. energy: 1.313
local terms energy: -315.381672
where:
bonds (distance) C4'-P energy: -100.632
bonds (distance) P-C4' energy: -102.533
flat angles C4'-P-C4' energy: -75.344
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: 6.069
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: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2077.714521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.714521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.714521 (E_RNA)
where:
Base-Base interactions energy: -1450.155
where: short stacking energy: -602.571
Base-Backbone interact. energy: 2.957
local terms energy: -630.516591
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -117.396
flat angles C4'-P-C4' energy: -136.604
flat angles P-C4'-P energy: -98.863
tors. eta vs tors. theta energy: -174.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2002.116663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116663 (E_RNA)
where:
Base-Base interactions energy: -1386.919
where: short stacking energy: -560.459
Base-Backbone interact. energy: -5.036
local terms energy: -610.161203
where:
bonds (distance) C4'-P energy: -116.566
bonds (distance) P-C4' energy: -106.257
flat angles C4'-P-C4' energy: -135.886
flat angles P-C4'-P energy: -87.607
tors. eta vs tors. theta energy: -163.846
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1862.522735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.522735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.522735 (E_RNA)
where:
Base-Base interactions energy: -1291.203
where: short stacking energy: -505.431
Base-Backbone interact. energy: -2.077
local terms energy: -569.243152
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -117.717
flat angles C4'-P-C4' energy: -118.888
flat angles P-C4'-P energy: -79.279
tors. eta vs tors. theta energy: -146.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1779.173210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.173210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.173210 (E_RNA)
where:
Base-Base interactions energy: -1206.741
where: short stacking energy: -524.689
Base-Backbone interact. energy: -2.346
local terms energy: -570.086787
where:
bonds (distance) C4'-P energy: -105.135
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -133.834
flat angles P-C4'-P energy: -72.286
tors. eta vs tors. theta energy: -155.103
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: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1675.705619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.705619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.705619 (E_RNA)
where:
Base-Base interactions energy: -1149.866
where: short stacking energy: -485.455
Base-Backbone interact. energy: -0.201
local terms energy: -525.639119
where:
bonds (distance) C4'-P energy: -99.560
bonds (distance) P-C4' energy: -105.748
flat angles C4'-P-C4' energy: -122.082
flat angles P-C4'-P energy: -76.971
tors. eta vs tors. theta energy: -121.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1438.103338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.103338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.103338 (E_RNA)
where:
Base-Base interactions energy: -933.894
where: short stacking energy: -411.014
Base-Backbone interact. energy: -5.020
local terms energy: -499.189552
where:
bonds (distance) C4'-P energy: -98.945
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -115.744
flat angles P-C4'-P energy: -63.687
tors. eta vs tors. theta energy: -105.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1388.079243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.079243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.079243 (E_RNA)
where:
Base-Base interactions energy: -923.496
where: short stacking energy: -392.400
Base-Backbone interact. energy: 2.964
local terms energy: -467.547009
where:
bonds (distance) C4'-P energy: -103.029
bonds (distance) P-C4' energy: -103.971
flat angles C4'-P-C4' energy: -92.107
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -91.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1244.496551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.496551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.496551 (E_RNA)
where:
Base-Base interactions energy: -818.654
where: short stacking energy: -358.776
Base-Backbone interact. energy: 2.699
local terms energy: -428.541422
where:
bonds (distance) C4'-P energy: -102.083
bonds (distance) P-C4' energy: -84.765
flat angles C4'-P-C4' energy: -101.161
flat angles P-C4'-P energy: -65.329
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: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -920.885001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.885001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.885001 (E_RNA)
where:
Base-Base interactions energy: -572.858
where: short stacking energy: -266.686
Base-Backbone interact. energy: -3.320
local terms energy: -344.706465
where:
bonds (distance) C4'-P energy: -75.759
bonds (distance) P-C4' energy: -103.855
flat angles C4'-P-C4' energy: -84.927
flat angles P-C4'-P energy: -56.609
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -617.440604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.440604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.440604 (E_RNA)
where:
Base-Base interactions energy: -261.815
where: short stacking energy: -184.965
Base-Backbone interact. energy: 0.301
local terms energy: -355.927083
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -110.246
flat angles C4'-P-C4' energy: -85.609
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -14.933
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: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2049.400013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.400013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.400013 (E_RNA)
where:
Base-Base interactions energy: -1436.170
where: short stacking energy: -608.656
Base-Backbone interact. energy: -1.265
local terms energy: -611.964791
where:
bonds (distance) C4'-P energy: -120.683
bonds (distance) P-C4' energy: -113.456
flat angles C4'-P-C4' energy: -129.092
flat angles P-C4'-P energy: -80.593
tors. eta vs tors. theta energy: -168.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1956.325763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.325763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.325763 (E_RNA)
where:
Base-Base interactions energy: -1353.452
where: short stacking energy: -561.414
Base-Backbone interact. energy: -4.268
local terms energy: -598.605720
where:
bonds (distance) C4'-P energy: -107.500
bonds (distance) P-C4' energy: -120.524
flat angles C4'-P-C4' energy: -130.636
flat angles P-C4'-P energy: -75.724
tors. eta vs tors. theta energy: -164.222
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: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1876.859547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.859547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.859547 (E_RNA)
where:
Base-Base interactions energy: -1317.095
where: short stacking energy: -507.768
Base-Backbone interact. energy: -1.775
local terms energy: -557.988865
where:
bonds (distance) C4'-P energy: -119.394
bonds (distance) P-C4' energy: -115.064
flat angles C4'-P-C4' energy: -115.921
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -132.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1737.112240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.112240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.112240 (E_RNA)
where:
Base-Base interactions energy: -1181.344
where: short stacking energy: -500.681
Base-Backbone interact. energy: -4.133
local terms energy: -551.634430
where:
bonds (distance) C4'-P energy: -107.593
bonds (distance) P-C4' energy: -106.849
flat angles C4'-P-C4' energy: -112.390
flat angles P-C4'-P energy: -78.357
tors. eta vs tors. theta energy: -146.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1672.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.069970 (E_RNA)
where:
Base-Base interactions energy: -1144.613
where: short stacking energy: -492.286
Base-Backbone interact. energy: -4.140
local terms energy: -523.317849
where:
bonds (distance) C4'-P energy: -110.357
bonds (distance) P-C4' energy: -100.908
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -117.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1452.048512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.048512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.048512 (E_RNA)
where:
Base-Base interactions energy: -976.491
where: short stacking energy: -445.941
Base-Backbone interact. energy: 1.202
local terms energy: -476.759068
where:
bonds (distance) C4'-P energy: -91.330
bonds (distance) P-C4' energy: -91.459
flat angles C4'-P-C4' energy: -107.686
flat angles P-C4'-P energy: -67.426
tors. eta vs tors. theta energy: -118.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1410.553840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.553840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.553840 (E_RNA)
where:
Base-Base interactions energy: -935.399
where: short stacking energy: -420.626
Base-Backbone interact. energy: 2.105
local terms energy: -477.259866
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -102.889
flat angles C4'-P-C4' energy: -111.505
flat angles P-C4'-P energy: -71.640
tors. eta vs tors. theta energy: -99.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1241.831427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.831427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.831427 (E_RNA)
where:
Base-Base interactions energy: -811.744
where: short stacking energy: -358.945
Base-Backbone interact. energy: 0.199
local terms energy: -430.286270
where:
bonds (distance) C4'-P energy: -87.906
bonds (distance) P-C4' energy: -97.856
flat angles C4'-P-C4' energy: -102.852
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -86.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1006.415645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.415645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.415645 (E_RNA)
where:
Base-Base interactions energy: -612.287
where: short stacking energy: -292.536
Base-Backbone interact. energy: 0.984
local terms energy: -395.112693
where:
bonds (distance) C4'-P energy: -97.669
bonds (distance) P-C4' energy: -103.534
flat angles C4'-P-C4' energy: -100.786
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -39.510
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: 478
Temperature: 1.350000
Total energy: -573.789273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.789273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.789273 (E_RNA)
where:
Base-Base interactions energy: -254.912
where: short stacking energy: -145.155
Base-Backbone interact. energy: 3.230
local terms energy: -322.107742
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -102.275
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: 2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2060.721376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.721376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.721376 (E_RNA)
where:
Base-Base interactions energy: -1431.465
where: short stacking energy: -587.279
Base-Backbone interact. energy: -1.948
local terms energy: -627.308439
where:
bonds (distance) C4'-P energy: -115.356
bonds (distance) P-C4' energy: -122.954
flat angles C4'-P-C4' energy: -129.240
flat angles P-C4'-P energy: -89.500
tors. eta vs tors. theta energy: -170.260
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1985.252927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.252927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.252927 (E_RNA)
where:
Base-Base interactions energy: -1401.636
where: short stacking energy: -566.514
Base-Backbone interact. energy: -2.132
local terms energy: -581.484915
where:
bonds (distance) C4'-P energy: -105.804
bonds (distance) P-C4' energy: -117.508
flat angles C4'-P-C4' energy: -124.334
flat angles P-C4'-P energy: -75.064
tors. eta vs tors. theta energy: -158.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1864.204419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.204419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.204419 (E_RNA)
where:
Base-Base interactions energy: -1278.517
where: short stacking energy: -523.690
Base-Backbone interact. energy: -1.060
local terms energy: -584.627324
where:
bonds (distance) C4'-P energy: -119.394
bonds (distance) P-C4' energy: -102.432
flat angles C4'-P-C4' energy: -119.270
flat angles P-C4'-P energy: -88.474
tors. eta vs tors. theta energy: -155.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1745.593354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.593354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.593354 (E_RNA)
where:
Base-Base interactions energy: -1181.313
where: short stacking energy: -526.585
Base-Backbone interact. energy: -1.241
local terms energy: -563.040037
where:
bonds (distance) C4'-P energy: -97.835
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -137.295
flat angles P-C4'-P energy: -87.492
tors. eta vs tors. theta energy: -157.643
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: 479
Temperature: 1.100000
Total energy: -1667.578575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.578575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.578575 (E_RNA)
where:
Base-Base interactions energy: -1118.472
where: short stacking energy: -469.922
Base-Backbone interact. energy: -3.356
local terms energy: -545.751051
where:
bonds (distance) C4'-P energy: -103.439
bonds (distance) P-C4' energy: -116.946
flat angles C4'-P-C4' energy: -120.184
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -135.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1468.630424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.630424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.630424 (E_RNA)
where:
Base-Base interactions energy: -943.180
where: short stacking energy: -418.517
Base-Backbone interact. energy: -1.827
local terms energy: -523.622523
where:
bonds (distance) C4'-P energy: -122.168
bonds (distance) P-C4' energy: -104.537
flat angles C4'-P-C4' energy: -110.380
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -106.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1413.059477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.059477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.059477 (E_RNA)
where:
Base-Base interactions energy: -937.339
where: short stacking energy: -411.327
Base-Backbone interact. energy: -0.618
local terms energy: -475.102399
where:
bonds (distance) C4'-P energy: -85.254
bonds (distance) P-C4' energy: -91.386
flat angles C4'-P-C4' energy: -117.094
flat angles P-C4'-P energy: -75.172
tors. eta vs tors. theta energy: -106.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1300.114434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.114434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.114434 (E_RNA)
where:
Base-Base interactions energy: -847.944
where: short stacking energy: -381.153
Base-Backbone interact. energy: 4.047
local terms energy: -456.217582
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -115.247
flat angles C4'-P-C4' energy: -98.028
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -87.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1043.167280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.167280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.167280 (E_RNA)
where:
Base-Base interactions energy: -629.378
where: short stacking energy: -301.610
Base-Backbone interact. energy: -3.549
local terms energy: -410.240112
where:
bonds (distance) C4'-P energy: -97.157
bonds (distance) P-C4' energy: -112.371
flat angles C4'-P-C4' energy: -90.447
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -56.170
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: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -586.140647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.140647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.140647 (E_RNA)
where:
Base-Base interactions energy: -299.198
where: short stacking energy: -199.202
Base-Backbone interact. energy: 1.019
local terms energy: -287.961643
where:
bonds (distance) C4'-P energy: -86.998
bonds (distance) P-C4' energy: -87.515
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2086.005573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.005573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.005573 (E_RNA)
where:
Base-Base interactions energy: -1465.239
where: short stacking energy: -601.253
Base-Backbone interact. energy: -3.364
local terms energy: -617.402670
where:
bonds (distance) C4'-P energy: -107.065
bonds (distance) P-C4' energy: -107.118
flat angles C4'-P-C4' energy: -137.168
flat angles P-C4'-P energy: -95.501
tors. eta vs tors. theta energy: -170.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1965.531034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.531034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.531034 (E_RNA)
where:
Base-Base interactions energy: -1355.225
where: short stacking energy: -535.414
Base-Backbone interact. energy: -1.802
local terms energy: -608.504124
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -122.366
flat angles C4'-P-C4' energy: -133.420
flat angles P-C4'-P energy: -84.167
tors. eta vs tors. theta energy: -154.694
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1875.906858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.906858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.906858 (E_RNA)
where:
Base-Base interactions energy: -1313.759
where: short stacking energy: -515.663
Base-Backbone interact. energy: -3.825
local terms energy: -558.322444
where:
bonds (distance) C4'-P energy: -96.651
bonds (distance) P-C4' energy: -108.573
flat angles C4'-P-C4' energy: -122.881
flat angles P-C4'-P energy: -81.881
tors. eta vs tors. theta energy: -148.337
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1748.675480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.675480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.675480 (E_RNA)
where:
Base-Base interactions energy: -1162.880
where: short stacking energy: -527.936
Base-Backbone interact. energy: -2.261
local terms energy: -583.534548
where:
bonds (distance) C4'-P energy: -105.464
bonds (distance) P-C4' energy: -111.775
flat angles C4'-P-C4' energy: -129.679
flat angles P-C4'-P energy: -80.397
tors. eta vs tors. theta energy: -156.219
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1695.438116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.438116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.438116 (E_RNA)
where:
Base-Base interactions energy: -1161.996
where: short stacking energy: -485.108
Base-Backbone interact. energy: -3.908
local terms energy: -529.534303
where:
bonds (distance) C4'-P energy: -99.745
bonds (distance) P-C4' energy: -104.001
flat angles C4'-P-C4' energy: -126.876
flat angles P-C4'-P energy: -66.200
tors. eta vs tors. theta energy: -132.712
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1550.914447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.914447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.914447 (E_RNA)
where:
Base-Base interactions energy: -1052.653
where: short stacking energy: -498.404
Base-Backbone interact. energy: -1.395
local terms energy: -496.866099
where:
bonds (distance) C4'-P energy: -98.767
bonds (distance) P-C4' energy: -75.305
flat angles C4'-P-C4' energy: -116.210
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -130.460
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1385.050235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.050235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.050235 (E_RNA)
where:
Base-Base interactions energy: -905.843
where: short stacking energy: -410.587
Base-Backbone interact. energy: -1.738
local terms energy: -477.468916
where:
bonds (distance) C4'-P energy: -98.133
bonds (distance) P-C4' energy: -101.738
flat angles C4'-P-C4' energy: -104.191
flat angles P-C4'-P energy: -60.534
tors. eta vs tors. theta energy: -112.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1303.716508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.716508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.716508 (E_RNA)
where:
Base-Base interactions energy: -858.039
where: short stacking energy: -385.804
Base-Backbone interact. energy: -0.740
local terms energy: -444.937470
where:
bonds (distance) C4'-P energy: -92.080
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -89.004
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: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -989.381442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.381442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.381442 (E_RNA)
where:
Base-Base interactions energy: -601.400
where: short stacking energy: -261.447
Base-Backbone interact. energy: -0.589
local terms energy: -387.392120
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -86.030
flat angles C4'-P-C4' energy: -101.060
flat angles P-C4'-P energy: -63.166
tors. eta vs tors. theta energy: -46.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -639.946428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.946428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.946428 (E_RNA)
where:
Base-Base interactions energy: -328.565
where: short stacking energy: -175.548
Base-Backbone interact. energy: -1.029
local terms energy: -310.352509
where:
bonds (distance) C4'-P energy: -82.493
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -85.241
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2068.813468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.813468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.813468 (E_RNA)
where:
Base-Base interactions energy: -1457.681
where: short stacking energy: -612.954
Base-Backbone interact. energy: 4.104
local terms energy: -615.237145
where:
bonds (distance) C4'-P energy: -113.536
bonds (distance) P-C4' energy: -103.368
flat angles C4'-P-C4' energy: -130.362
flat angles P-C4'-P energy: -91.784
tors. eta vs tors. theta energy: -176.188
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1960.016089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.016089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.016089 (E_RNA)
where:
Base-Base interactions energy: -1377.017
where: short stacking energy: -540.503
Base-Backbone interact. energy: 1.399
local terms energy: -584.398074
where:
bonds (distance) C4'-P energy: -112.864
bonds (distance) P-C4' energy: -108.325
flat angles C4'-P-C4' energy: -128.377
flat angles P-C4'-P energy: -83.710
tors. eta vs tors. theta energy: -151.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1844.991029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.991029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.991029 (E_RNA)
where:
Base-Base interactions energy: -1276.419
where: short stacking energy: -513.853
Base-Backbone interact. energy: -4.167
local terms energy: -564.405271
where:
bonds (distance) C4'-P energy: -110.160
bonds (distance) P-C4' energy: -107.126
flat angles C4'-P-C4' energy: -121.904
flat angles P-C4'-P energy: -84.705
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: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1786.643921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.643921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.643921 (E_RNA)
where:
Base-Base interactions energy: -1222.786
where: short stacking energy: -507.976
Base-Backbone interact. energy: -1.257
local terms energy: -562.600988
where:
bonds (distance) C4'-P energy: -103.893
bonds (distance) P-C4' energy: -111.412
flat angles C4'-P-C4' energy: -121.771
flat angles P-C4'-P energy: -70.488
tors. eta vs tors. theta energy: -155.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1708.810033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.810033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.810033 (E_RNA)
where:
Base-Base interactions energy: -1151.152
where: short stacking energy: -523.180
Base-Backbone interact. energy: -1.778
local terms energy: -555.880840
where:
bonds (distance) C4'-P energy: -98.132
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -132.873
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -156.034
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1508.247019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.247019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.247019 (E_RNA)
where:
Base-Base interactions energy: -1013.226
where: short stacking energy: -448.857
Base-Backbone interact. energy: -1.846
local terms energy: -493.175313
where:
bonds (distance) C4'-P energy: -96.062
bonds (distance) P-C4' energy: -97.240
flat angles C4'-P-C4' energy: -111.932
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -113.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1376.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.871218 (E_RNA)
where:
Base-Base interactions energy: -912.221
where: short stacking energy: -393.292
Base-Backbone interact. energy: -1.067
local terms energy: -463.583504
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -98.635
flat angles C4'-P-C4' energy: -111.075
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -96.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1341.007493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.007493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.007493 (E_RNA)
where:
Base-Base interactions energy: -900.789
where: short stacking energy: -382.024
Base-Backbone interact. energy: -3.211
local terms energy: -437.007571
where:
bonds (distance) C4'-P energy: -103.106
bonds (distance) P-C4' energy: -79.272
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -59.142
tors. eta vs tors. theta energy: -90.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -935.552118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.552118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.552118 (E_RNA)
where:
Base-Base interactions energy: -573.810
where: short stacking energy: -278.805
Base-Backbone interact. energy: 2.696
local terms energy: -364.438364
where:
bonds (distance) C4'-P energy: -82.086
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -101.840
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -33.656
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: 481
Temperature: 1.350000
Total energy: -647.694810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.694810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.694810 (E_RNA)
where:
Base-Base interactions energy: -333.719
where: short stacking energy: -182.914
Base-Backbone interact. energy: 0.896
local terms energy: -314.871639
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -86.171
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: 7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2098.635389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.635389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.635389 (E_RNA)
where:
Base-Base interactions energy: -1448.314
where: short stacking energy: -599.344
Base-Backbone interact. energy: -3.715
local terms energy: -646.606217
where:
bonds (distance) C4'-P energy: -132.514
bonds (distance) P-C4' energy: -117.568
flat angles C4'-P-C4' energy: -141.360
flat angles P-C4'-P energy: -88.830
tors. eta vs tors. theta energy: -166.335
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: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1960.396155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.396155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.396155 (E_RNA)
where:
Base-Base interactions energy: -1358.932
where: short stacking energy: -543.986
Base-Backbone interact. energy: -2.427
local terms energy: -599.037231
where:
bonds (distance) C4'-P energy: -120.158
bonds (distance) P-C4' energy: -105.007
flat angles C4'-P-C4' energy: -125.105
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -155.054
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: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1899.699209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.699209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.699209 (E_RNA)
where:
Base-Base interactions energy: -1352.596
where: short stacking energy: -529.294
Base-Backbone interact. energy: -2.403
local terms energy: -544.700230
where:
bonds (distance) C4'-P energy: -92.251
bonds (distance) P-C4' energy: -107.474
flat angles C4'-P-C4' energy: -123.912
flat angles P-C4'-P energy: -70.435
tors. eta vs tors. theta energy: -150.628
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: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1742.315377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.315377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.315377 (E_RNA)
where:
Base-Base interactions energy: -1188.439
where: short stacking energy: -470.105
Base-Backbone interact. energy: -4.327
local terms energy: -549.549765
where:
bonds (distance) C4'-P energy: -110.544
bonds (distance) P-C4' energy: -104.911
flat angles C4'-P-C4' energy: -120.785
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -129.789
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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1701.715813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.715813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.715813 (E_RNA)
where:
Base-Base interactions energy: -1156.693
where: short stacking energy: -521.663
Base-Backbone interact. energy: 1.201
local terms energy: -546.223358
where:
bonds (distance) C4'-P energy: -91.792
bonds (distance) P-C4' energy: -102.841
flat angles C4'-P-C4' energy: -123.765
flat angles P-C4'-P energy: -75.295
tors. eta vs tors. theta energy: -152.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1506.679677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.679677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.679677 (E_RNA)
where:
Base-Base interactions energy: -1038.432
where: short stacking energy: -463.504
Base-Backbone interact. energy: -3.454
local terms energy: -464.793307
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -97.452
flat angles C4'-P-C4' energy: -93.220
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -115.334
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: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1427.595826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.595826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.595826 (E_RNA)
where:
Base-Base interactions energy: -967.087
where: short stacking energy: -435.928
Base-Backbone interact. energy: -3.449
local terms energy: -457.060537
where:
bonds (distance) C4'-P energy: -93.222
bonds (distance) P-C4' energy: -94.301
flat angles C4'-P-C4' energy: -104.201
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -112.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1344.896804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.896804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.896804 (E_RNA)
where:
Base-Base interactions energy: -876.853
where: short stacking energy: -376.978
Base-Backbone interact. energy: -2.669
local terms energy: -465.374924
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -110.086
flat angles C4'-P-C4' energy: -108.184
flat angles P-C4'-P energy: -67.950
tors. eta vs tors. theta energy: -85.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -997.200800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.200800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.200800 (E_RNA)
where:
Base-Base interactions energy: -597.674
where: short stacking energy: -279.325
Base-Backbone interact. energy: -4.315
local terms energy: -395.212376
where:
bonds (distance) C4'-P energy: -97.238
bonds (distance) P-C4' energy: -99.779
flat angles C4'-P-C4' energy: -105.222
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -47.634
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: 482
Temperature: 1.350000
Total energy: -579.007881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.007881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.007881 (E_RNA)
where:
Base-Base interactions energy: -266.293
where: short stacking energy: -166.014
Base-Backbone interact. energy: 2.528
local terms energy: -315.242105
where:
bonds (distance) C4'-P energy: -110.382
bonds (distance) P-C4' energy: -80.485
flat angles C4'-P-C4' energy: -83.283
flat angles P-C4'-P energy: -41.817
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2097.080415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.080415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.080415 (E_RNA)
where:
Base-Base interactions energy: -1455.688
where: short stacking energy: -619.654
Base-Backbone interact. energy: 1.901
local terms energy: -643.293604
where:
bonds (distance) C4'-P energy: -115.686
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -136.738
flat angles P-C4'-P energy: -93.598
tors. eta vs tors. theta energy: -175.555
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: 483
Temperature: 0.950000
Total energy: -1966.709700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.709700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.709700 (E_RNA)
where:
Base-Base interactions energy: -1362.736
where: short stacking energy: -563.931
Base-Backbone interact. energy: -3.670
local terms energy: -600.303690
where:
bonds (distance) C4'-P energy: -122.340
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -135.569
flat angles P-C4'-P energy: -83.154
tors. eta vs tors. theta energy: -150.961
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: 483
Temperature: 1.000000
Total energy: -1885.065870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.065870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.065870 (E_RNA)
where:
Base-Base interactions energy: -1310.259
where: short stacking energy: -526.153
Base-Backbone interact. energy: 1.447
local terms energy: -576.253211
where:
bonds (distance) C4'-P energy: -95.674
bonds (distance) P-C4' energy: -114.888
flat angles C4'-P-C4' energy: -118.684
flat angles P-C4'-P energy: -92.756
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: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1780.748102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.748102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.748102 (E_RNA)
where:
Base-Base interactions energy: -1204.408
where: short stacking energy: -529.327
Base-Backbone interact. energy: -2.170
local terms energy: -574.170394
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -111.171
flat angles C4'-P-C4' energy: -123.133
flat angles P-C4'-P energy: -84.664
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: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1656.906913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.906913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.906913 (E_RNA)
where:
Base-Base interactions energy: -1153.037
where: short stacking energy: -470.035
Base-Backbone interact. energy: -0.419
local terms energy: -503.450076
where:
bonds (distance) C4'-P energy: -90.900
bonds (distance) P-C4' energy: -108.808
flat angles C4'-P-C4' energy: -108.829
flat angles P-C4'-P energy: -70.913
tors. eta vs tors. theta energy: -123.999
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: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1545.613276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.613276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.613276 (E_RNA)
where:
Base-Base interactions energy: -1061.957
where: short stacking energy: -476.659
Base-Backbone interact. energy: -2.867
local terms energy: -480.789803
where:
bonds (distance) C4'-P energy: -91.350
bonds (distance) P-C4' energy: -89.309
flat angles C4'-P-C4' energy: -114.273
flat angles P-C4'-P energy: -65.889
tors. eta vs tors. theta energy: -119.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1384.236963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.236963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.236963 (E_RNA)
where:
Base-Base interactions energy: -914.992
where: short stacking energy: -410.089
Base-Backbone interact. energy: -3.183
local terms energy: -466.062410
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -105.546
flat angles P-C4'-P energy: -63.677
tors. eta vs tors. theta energy: -93.767
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: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1264.946949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.946949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.946949 (E_RNA)
where:
Base-Base interactions energy: -836.352
where: short stacking energy: -359.389
Base-Backbone interact. energy: -1.686
local terms energy: -426.908745
where:
bonds (distance) C4'-P energy: -94.985
bonds (distance) P-C4' energy: -100.498
flat angles C4'-P-C4' energy: -101.404
flat angles P-C4'-P energy: -54.441
tors. eta vs tors. theta energy: -75.580
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: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1018.677107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.677107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.677107 (E_RNA)
where:
Base-Base interactions energy: -626.327
where: short stacking energy: -282.090
Base-Backbone interact. energy: 0.514
local terms energy: -392.864584
where:
bonds (distance) C4'-P energy: -94.955
bonds (distance) P-C4' energy: -104.204
flat angles C4'-P-C4' energy: -93.654
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -54.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -604.034188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.034188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.034188 (E_RNA)
where:
Base-Base interactions energy: -294.932
where: short stacking energy: -172.300
Base-Backbone interact. energy: 0.378
local terms energy: -309.480321
where:
bonds (distance) C4'-P energy: -83.102
bonds (distance) P-C4' energy: -92.185
flat angles C4'-P-C4' energy: -82.340
flat angles P-C4'-P energy: -47.127
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2094.733952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.733952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.733952 (E_RNA)
where:
Base-Base interactions energy: -1471.921
where: short stacking energy: -599.854
Base-Backbone interact. energy: -0.599
local terms energy: -622.213391
where:
bonds (distance) C4'-P energy: -120.907
bonds (distance) P-C4' energy: -116.323
flat angles C4'-P-C4' energy: -139.344
flat angles P-C4'-P energy: -73.205
tors. eta vs tors. theta energy: -172.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1956.513234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.513234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.513234 (E_RNA)
where:
Base-Base interactions energy: -1345.193
where: short stacking energy: -566.377
Base-Backbone interact. energy: -2.245
local terms energy: -609.074928
where:
bonds (distance) C4'-P energy: -109.914
bonds (distance) P-C4' energy: -103.334
flat angles C4'-P-C4' energy: -132.054
flat angles P-C4'-P energy: -94.461
tors. eta vs tors. theta energy: -169.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1906.058496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.058496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.058496 (E_RNA)
where:
Base-Base interactions energy: -1352.290
where: short stacking energy: -548.803
Base-Backbone interact. energy: -1.714
local terms energy: -552.054134
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -89.564
flat angles C4'-P-C4' energy: -130.773
flat angles P-C4'-P energy: -73.203
tors. eta vs tors. theta energy: -150.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1762.589987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.589987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.589987 (E_RNA)
where:
Base-Base interactions energy: -1186.973
where: short stacking energy: -530.619
Base-Backbone interact. energy: -0.877
local terms energy: -574.740039
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -124.829
flat angles C4'-P-C4' energy: -115.278
flat angles P-C4'-P energy: -85.487
tors. eta vs tors. theta energy: -153.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1679.462248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.462248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.462248 (E_RNA)
where:
Base-Base interactions energy: -1164.534
where: short stacking energy: -481.145
Base-Backbone interact. energy: 5.170
local terms energy: -520.098772
where:
bonds (distance) C4'-P energy: -103.069
bonds (distance) P-C4' energy: -104.798
flat angles C4'-P-C4' energy: -118.243
flat angles P-C4'-P energy: -81.365
tors. eta vs tors. theta energy: -112.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1514.119630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.119630 (E_RNA)
where:
Base-Base interactions energy: -1038.332
where: short stacking energy: -455.574
Base-Backbone interact. energy: -3.417
local terms energy: -472.370106
where:
bonds (distance) C4'-P energy: -85.878
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -117.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1412.175134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.175134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.175134 (E_RNA)
where:
Base-Base interactions energy: -920.003
where: short stacking energy: -400.765
Base-Backbone interact. energy: 1.723
local terms energy: -493.895689
where:
bonds (distance) C4'-P energy: -98.800
bonds (distance) P-C4' energy: -105.152
flat angles C4'-P-C4' energy: -110.910
flat angles P-C4'-P energy: -78.512
tors. eta vs tors. theta energy: -100.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1330.103779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.103779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.103779 (E_RNA)
where:
Base-Base interactions energy: -870.664
where: short stacking energy: -390.383
Base-Backbone interact. energy: 3.939
local terms energy: -463.378901
where:
bonds (distance) C4'-P energy: -95.087
bonds (distance) P-C4' energy: -113.945
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -93.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -981.283443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.283443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.283443 (E_RNA)
where:
Base-Base interactions energy: -638.180
where: short stacking energy: -268.652
Base-Backbone interact. energy: 2.578
local terms energy: -345.681112
where:
bonds (distance) C4'-P energy: -78.977
bonds (distance) P-C4' energy: -102.566
flat angles C4'-P-C4' energy: -90.234
flat angles P-C4'-P energy: -54.783
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -585.719234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.719234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.719234 (E_RNA)
where:
Base-Base interactions energy: -266.758
where: short stacking energy: -172.475
Base-Backbone interact. energy: -1.935
local terms energy: -317.025981
where:
bonds (distance) C4'-P energy: -91.941
bonds (distance) P-C4' energy: -104.960
flat angles C4'-P-C4' energy: -83.804
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: 5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2091.757490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.757490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.757490 (E_RNA)
where:
Base-Base interactions energy: -1457.803
where: short stacking energy: -608.685
Base-Backbone interact. energy: -7.605
local terms energy: -626.349417
where:
bonds (distance) C4'-P energy: -126.436
bonds (distance) P-C4' energy: -103.548
flat angles C4'-P-C4' energy: -126.130
flat angles P-C4'-P energy: -93.298
tors. eta vs tors. theta energy: -176.936
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: 485
Temperature: 0.950000
Total energy: -1987.859784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.859784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.859784 (E_RNA)
where:
Base-Base interactions energy: -1381.795
where: short stacking energy: -550.830
Base-Backbone interact. energy: -3.972
local terms energy: -602.093014
where:
bonds (distance) C4'-P energy: -112.167
bonds (distance) P-C4' energy: -114.312
flat angles C4'-P-C4' energy: -132.536
flat angles P-C4'-P energy: -87.581
tors. eta vs tors. theta energy: -155.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1907.547301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.547301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.547301 (E_RNA)
where:
Base-Base interactions energy: -1319.961
where: short stacking energy: -547.496
Base-Backbone interact. energy: -5.524
local terms energy: -582.062282
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -100.915
flat angles C4'-P-C4' energy: -127.669
flat angles P-C4'-P energy: -96.205
tors. eta vs tors. theta energy: -146.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1762.400607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.400607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.400607 (E_RNA)
where:
Base-Base interactions energy: -1198.233
where: short stacking energy: -543.395
Base-Backbone interact. energy: 0.834
local terms energy: -565.001719
where:
bonds (distance) C4'-P energy: -113.838
bonds (distance) P-C4' energy: -108.278
flat angles C4'-P-C4' energy: -114.671
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -153.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1616.077928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.077928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.077928 (E_RNA)
where:
Base-Base interactions energy: -1086.704
where: short stacking energy: -463.737
Base-Backbone interact. energy: -1.697
local terms energy: -527.676669
where:
bonds (distance) C4'-P energy: -106.153
bonds (distance) P-C4' energy: -106.427
flat angles C4'-P-C4' energy: -119.590
flat angles P-C4'-P energy: -66.446
tors. eta vs tors. theta energy: -129.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1458.323992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.323992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.323992 (E_RNA)
where:
Base-Base interactions energy: -987.226
where: short stacking energy: -443.310
Base-Backbone interact. energy: -2.787
local terms energy: -468.311300
where:
bonds (distance) C4'-P energy: -94.882
bonds (distance) P-C4' energy: -89.276
flat angles C4'-P-C4' energy: -104.539
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -102.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1384.052636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.052636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.052636 (E_RNA)
where:
Base-Base interactions energy: -903.704
where: short stacking energy: -381.774
Base-Backbone interact. energy: -3.608
local terms energy: -476.740854
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -101.343
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -65.385
tors. eta vs tors. theta energy: -91.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1264.876617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.876617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.876617 (E_RNA)
where:
Base-Base interactions energy: -832.880
where: short stacking energy: -359.926
Base-Backbone interact. energy: -1.209
local terms energy: -430.787473
where:
bonds (distance) C4'-P energy: -87.465
bonds (distance) P-C4' energy: -106.188
flat angles C4'-P-C4' energy: -106.827
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -63.653
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: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -935.822659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.822659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.822659 (E_RNA)
where:
Base-Base interactions energy: -548.311
where: short stacking energy: -258.034
Base-Backbone interact. energy: -2.892
local terms energy: -384.619968
where:
bonds (distance) C4'-P energy: -92.591
bonds (distance) P-C4' energy: -100.778
flat angles C4'-P-C4' energy: -107.224
flat angles P-C4'-P energy: -50.954
tors. eta vs tors. theta energy: -33.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -600.496552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.496552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.496552 (E_RNA)
where:
Base-Base interactions energy: -282.312
where: short stacking energy: -167.832
Base-Backbone interact. energy: 4.620
local terms energy: -322.804571
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -89.770
flat angles C4'-P-C4' energy: -83.274
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -4.841
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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2073.412343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.412343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.412343 (E_RNA)
where:
Base-Base interactions energy: -1445.164
where: short stacking energy: -594.731
Base-Backbone interact. energy: -3.260
local terms energy: -624.988781
where:
bonds (distance) C4'-P energy: -118.272
bonds (distance) P-C4' energy: -114.981
flat angles C4'-P-C4' energy: -126.885
flat angles P-C4'-P energy: -94.623
tors. eta vs tors. theta energy: -170.228
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: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1979.870576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.870576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.870576 (E_RNA)
where:
Base-Base interactions energy: -1383.633
where: short stacking energy: -556.567
Base-Backbone interact. energy: -1.544
local terms energy: -594.693823
where:
bonds (distance) C4'-P energy: -113.039
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -132.542
flat angles P-C4'-P energy: -77.433
tors. eta vs tors. theta energy: -155.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1933.557913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.557913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.557913 (E_RNA)
where:
Base-Base interactions energy: -1368.126
where: short stacking energy: -556.380
Base-Backbone interact. energy: -2.073
local terms energy: -563.358318
where:
bonds (distance) C4'-P energy: -104.289
bonds (distance) P-C4' energy: -103.616
flat angles C4'-P-C4' energy: -124.476
flat angles P-C4'-P energy: -78.909
tors. eta vs tors. theta energy: -152.068
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: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1711.234999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.234999 (E_RNA)
where:
Base-Base interactions energy: -1181.647
where: short stacking energy: -538.451
Base-Backbone interact. energy: 0.177
local terms energy: -529.765891
where:
bonds (distance) C4'-P energy: -97.241
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -111.512
flat angles P-C4'-P energy: -78.466
tors. eta vs tors. theta energy: -149.458
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1632.974275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.974275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.974275 (E_RNA)
where:
Base-Base interactions energy: -1075.986
where: short stacking energy: -441.877
Base-Backbone interact. energy: 2.472
local terms energy: -559.459706
where:
bonds (distance) C4'-P energy: -106.697
bonds (distance) P-C4' energy: -116.935
flat angles C4'-P-C4' energy: -126.854
flat angles P-C4'-P energy: -82.647
tors. eta vs tors. theta energy: -126.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1484.709031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.709031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.709031 (E_RNA)
where:
Base-Base interactions energy: -987.305
where: short stacking energy: -439.823
Base-Backbone interact. energy: -1.538
local terms energy: -495.865643
where:
bonds (distance) C4'-P energy: -101.401
bonds (distance) P-C4' energy: -100.019
flat angles C4'-P-C4' energy: -100.771
flat angles P-C4'-P energy: -76.857
tors. eta vs tors. theta energy: -116.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1322.416113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.416113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.416113 (E_RNA)
where:
Base-Base interactions energy: -875.534
where: short stacking energy: -399.794
Base-Backbone interact. energy: 1.067
local terms energy: -447.948798
where:
bonds (distance) C4'-P energy: -96.294
bonds (distance) P-C4' energy: -92.536
flat angles C4'-P-C4' energy: -107.514
flat angles P-C4'-P energy: -59.175
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: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1262.395431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.395431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.395431 (E_RNA)
where:
Base-Base interactions energy: -812.354
where: short stacking energy: -352.065
Base-Backbone interact. energy: -3.922
local terms energy: -446.119628
where:
bonds (distance) C4'-P energy: -101.194
bonds (distance) P-C4' energy: -107.936
flat angles C4'-P-C4' energy: -107.228
flat angles P-C4'-P energy: -58.510
tors. eta vs tors. theta energy: -71.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -931.457598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.457598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.457598 (E_RNA)
where:
Base-Base interactions energy: -543.793
where: short stacking energy: -256.197
Base-Backbone interact. energy: -0.659
local terms energy: -387.006209
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -94.442
flat angles C4'-P-C4' energy: -97.991
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -46.643
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: 486
Temperature: 1.350000
Total energy: -638.750326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.750326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.750326 (E_RNA)
where:
Base-Base interactions energy: -318.257
where: short stacking energy: -174.622
Base-Backbone interact. energy: 3.366
local terms energy: -323.859301
where:
bonds (distance) C4'-P energy: -98.141
bonds (distance) P-C4' energy: -98.772
flat angles C4'-P-C4' energy: -79.362
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: 2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2058.221320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.221320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.221320 (E_RNA)
where:
Base-Base interactions energy: -1434.995
where: short stacking energy: -612.095
Base-Backbone interact. energy: -1.650
local terms energy: -621.577118
where:
bonds (distance) C4'-P energy: -115.561
bonds (distance) P-C4' energy: -120.146
flat angles C4'-P-C4' energy: -126.686
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -172.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1953.780772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.780772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.780772 (E_RNA)
where:
Base-Base interactions energy: -1356.053
where: short stacking energy: -558.195
Base-Backbone interact. energy: -4.752
local terms energy: -592.976103
where:
bonds (distance) C4'-P energy: -108.606
bonds (distance) P-C4' energy: -123.534
flat angles C4'-P-C4' energy: -127.321
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -157.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1882.615862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.615862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.615862 (E_RNA)
where:
Base-Base interactions energy: -1309.755
where: short stacking energy: -513.559
Base-Backbone interact. energy: -2.744
local terms energy: -570.116467
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -136.948
flat angles P-C4'-P energy: -80.985
tors. eta vs tors. theta energy: -141.909
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1764.585406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.585406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.585406 (E_RNA)
where:
Base-Base interactions energy: -1202.823
where: short stacking energy: -521.977
Base-Backbone interact. energy: -2.810
local terms energy: -558.952442
where:
bonds (distance) C4'-P energy: -110.889
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -118.054
flat angles P-C4'-P energy: -75.290
tors. eta vs tors. theta energy: -147.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1698.714610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.714610 (E_RNA)
where:
Base-Base interactions energy: -1171.002
where: short stacking energy: -494.844
Base-Backbone interact. energy: 1.160
local terms energy: -528.872557
where:
bonds (distance) C4'-P energy: -102.801
bonds (distance) P-C4' energy: -84.906
flat angles C4'-P-C4' energy: -129.287
flat angles P-C4'-P energy: -71.343
tors. eta vs tors. theta energy: -140.535
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: 487
Temperature: 1.150000
Total energy: -1484.809292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.809292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.809292 (E_RNA)
where:
Base-Base interactions energy: -959.423
where: short stacking energy: -437.701
Base-Backbone interact. energy: 1.362
local terms energy: -526.748357
where:
bonds (distance) C4'-P energy: -103.513
bonds (distance) P-C4' energy: -114.034
flat angles C4'-P-C4' energy: -111.601
flat angles P-C4'-P energy: -77.921
tors. eta vs tors. theta energy: -119.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1339.288330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.288330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.288330 (E_RNA)
where:
Base-Base interactions energy: -867.800
where: short stacking energy: -401.409
Base-Backbone interact. energy: -1.834
local terms energy: -469.653810
where:
bonds (distance) C4'-P energy: -88.069
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -106.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1250.357108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.357108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.357108 (E_RNA)
where:
Base-Base interactions energy: -829.841
where: short stacking energy: -360.573
Base-Backbone interact. energy: -1.034
local terms energy: -419.482288
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -92.153
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -76.963
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: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -884.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.377868 (E_RNA)
where:
Base-Base interactions energy: -480.645
where: short stacking energy: -227.095
Base-Backbone interact. energy: 0.020
local terms energy: -403.752611
where:
bonds (distance) C4'-P energy: -104.592
bonds (distance) P-C4' energy: -101.293
flat angles C4'-P-C4' energy: -113.624
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: -38.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -582.116524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.116524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.116524 (E_RNA)
where:
Base-Base interactions energy: -251.353
where: short stacking energy: -156.200
Base-Backbone interact. energy: 1.710
local terms energy: -332.472636
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -100.662
flat angles C4'-P-C4' energy: -86.383
flat angles P-C4'-P energy: -43.723
tors. eta vs tors. theta energy: 2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2091.414756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.414756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.414756 (E_RNA)
where:
Base-Base interactions energy: -1459.793
where: short stacking energy: -611.509
Base-Backbone interact. energy: 0.914
local terms energy: -632.535740
where:
bonds (distance) C4'-P energy: -117.863
bonds (distance) P-C4' energy: -118.467
flat angles C4'-P-C4' energy: -126.583
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -172.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1980.749070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.749070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.749070 (E_RNA)
where:
Base-Base interactions energy: -1379.676
where: short stacking energy: -556.092
Base-Backbone interact. energy: -0.874
local terms energy: -600.199854
where:
bonds (distance) C4'-P energy: -106.012
bonds (distance) P-C4' energy: -121.106
flat angles C4'-P-C4' energy: -128.414
flat angles P-C4'-P energy: -82.372
tors. eta vs tors. theta energy: -162.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1902.464251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.464251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.464251 (E_RNA)
where:
Base-Base interactions energy: -1324.931
where: short stacking energy: -554.698
Base-Backbone interact. energy: -4.897
local terms energy: -572.636000
where:
bonds (distance) C4'-P energy: -109.199
bonds (distance) P-C4' energy: -103.361
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -80.802
tors. eta vs tors. theta energy: -154.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1796.972390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.972390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.972390 (E_RNA)
where:
Base-Base interactions energy: -1209.500
where: short stacking energy: -539.272
Base-Backbone interact. energy: -0.864
local terms energy: -586.609075
where:
bonds (distance) C4'-P energy: -115.996
bonds (distance) P-C4' energy: -119.165
flat angles C4'-P-C4' energy: -123.977
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: -162.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1682.596876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.596876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.596876 (E_RNA)
where:
Base-Base interactions energy: -1157.418
where: short stacking energy: -491.993
Base-Backbone interact. energy: 3.969
local terms energy: -529.148248
where:
bonds (distance) C4'-P energy: -86.760
bonds (distance) P-C4' energy: -96.001
flat angles C4'-P-C4' energy: -129.696
flat angles P-C4'-P energy: -74.142
tors. eta vs tors. theta energy: -142.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1466.788278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.788278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.788278 (E_RNA)
where:
Base-Base interactions energy: -972.860
where: short stacking energy: -450.022
Base-Backbone interact. energy: -2.366
local terms energy: -491.561822
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -102.166
flat angles C4'-P-C4' energy: -107.091
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -109.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1339.619403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.619403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.619403 (E_RNA)
where:
Base-Base interactions energy: -854.141
where: short stacking energy: -382.952
Base-Backbone interact. energy: -1.923
local terms energy: -483.555902
where:
bonds (distance) C4'-P energy: -98.058
bonds (distance) P-C4' energy: -98.798
flat angles C4'-P-C4' energy: -113.300
flat angles P-C4'-P energy: -64.815
tors. eta vs tors. theta energy: -108.585
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: 488
Temperature: 1.250000
Total energy: -1262.851118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.851118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.851118 (E_RNA)
where:
Base-Base interactions energy: -808.013
where: short stacking energy: -352.663
Base-Backbone interact. energy: 0.590
local terms energy: -455.427932
where:
bonds (distance) C4'-P energy: -99.948
bonds (distance) P-C4' energy: -90.561
flat angles C4'-P-C4' energy: -111.042
flat angles P-C4'-P energy: -66.273
tors. eta vs tors. theta energy: -87.604
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: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -869.389851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.389851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.389851 (E_RNA)
where:
Base-Base interactions energy: -503.434
where: short stacking energy: -266.173
Base-Backbone interact. energy: 3.453
local terms energy: -369.408717
where:
bonds (distance) C4'-P energy: -90.377
bonds (distance) P-C4' energy: -106.912
flat angles C4'-P-C4' energy: -88.407
flat angles P-C4'-P energy: -51.533
tors. eta vs tors. theta energy: -32.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -549.606833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.606833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.606833 (E_RNA)
where:
Base-Base interactions energy: -230.627
where: short stacking energy: -156.414
Base-Backbone interact. energy: -1.978
local terms energy: -317.001247
where:
bonds (distance) C4'-P energy: -98.507
bonds (distance) P-C4' energy: -83.218
flat angles C4'-P-C4' energy: -85.444
flat angles P-C4'-P energy: -51.938
tors. eta vs tors. theta energy: 2.106
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: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2100.735988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.735988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.735988 (E_RNA)
where:
Base-Base interactions energy: -1461.459
where: short stacking energy: -602.119
Base-Backbone interact. energy: -2.545
local terms energy: -636.732158
where:
bonds (distance) C4'-P energy: -117.275
bonds (distance) P-C4' energy: -119.007
flat angles C4'-P-C4' energy: -132.321
flat angles P-C4'-P energy: -90.379
tors. eta vs tors. theta energy: -177.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1979.483652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.483652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.483652 (E_RNA)
where:
Base-Base interactions energy: -1348.645
where: short stacking energy: -559.415
Base-Backbone interact. energy: -4.673
local terms energy: -626.165215
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -114.797
flat angles C4'-P-C4' energy: -126.996
flat angles P-C4'-P energy: -87.546
tors. eta vs tors. theta energy: -169.434
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: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1895.490657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.490657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.490657 (E_RNA)
where:
Base-Base interactions energy: -1298.354
where: short stacking energy: -532.991
Base-Backbone interact. energy: -2.977
local terms energy: -594.158986
where:
bonds (distance) C4'-P energy: -109.067
bonds (distance) P-C4' energy: -113.785
flat angles C4'-P-C4' energy: -123.340
flat angles P-C4'-P energy: -91.984
tors. eta vs tors. theta energy: -155.984
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1817.263441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.263441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.263441 (E_RNA)
where:
Base-Base interactions energy: -1239.968
where: short stacking energy: -542.047
Base-Backbone interact. energy: -1.661
local terms energy: -575.634339
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -109.809
flat angles C4'-P-C4' energy: -129.626
flat angles P-C4'-P energy: -74.075
tors. eta vs tors. theta energy: -150.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1621.665741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.665741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.665741 (E_RNA)
where:
Base-Base interactions energy: -1109.107
where: short stacking energy: -479.332
Base-Backbone interact. energy: 2.089
local terms energy: -514.646851
where:
bonds (distance) C4'-P energy: -106.406
bonds (distance) P-C4' energy: -103.861
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -121.256
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: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1434.908117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.908117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.908117 (E_RNA)
where:
Base-Base interactions energy: -962.204
where: short stacking energy: -419.784
Base-Backbone interact. energy: -2.836
local terms energy: -469.868781
where:
bonds (distance) C4'-P energy: -84.403
bonds (distance) P-C4' energy: -116.783
flat angles C4'-P-C4' energy: -103.911
flat angles P-C4'-P energy: -74.023
tors. eta vs tors. theta energy: -90.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1354.770147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.770147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.770147 (E_RNA)
where:
Base-Base interactions energy: -885.843
where: short stacking energy: -394.443
Base-Backbone interact. energy: -2.126
local terms energy: -466.800824
where:
bonds (distance) C4'-P energy: -89.981
bonds (distance) P-C4' energy: -107.183
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -69.271
tors. eta vs tors. theta energy: -86.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1279.744873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.744873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.744873 (E_RNA)
where:
Base-Base interactions energy: -819.416
where: short stacking energy: -369.607
Base-Backbone interact. energy: 0.786
local terms energy: -461.114871
where:
bonds (distance) C4'-P energy: -102.563
bonds (distance) P-C4' energy: -116.369
flat angles C4'-P-C4' energy: -104.626
flat angles P-C4'-P energy: -53.070
tors. eta vs tors. theta energy: -84.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -879.926635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.926635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.926635 (E_RNA)
where:
Base-Base interactions energy: -535.846
where: short stacking energy: -251.258
Base-Backbone interact. energy: -0.011
local terms energy: -344.069067
where:
bonds (distance) C4'-P energy: -74.784
bonds (distance) P-C4' energy: -108.469
flat angles C4'-P-C4' energy: -75.796
flat angles P-C4'-P energy: -58.262
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -551.192994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.192994 (E_RNA)
where:
Base-Base interactions energy: -245.690
where: short stacking energy: -164.163
Base-Backbone interact. energy: -2.329
local terms energy: -303.173852
where:
bonds (distance) C4'-P energy: -76.213
bonds (distance) P-C4' energy: -112.353
flat angles C4'-P-C4' energy: -80.122
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: 7.971
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: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2102.884543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.884543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.884543 (E_RNA)
where:
Base-Base interactions energy: -1451.259
where: short stacking energy: -600.717
Base-Backbone interact. energy: -3.062
local terms energy: -648.564095
where:
bonds (distance) C4'-P energy: -121.182
bonds (distance) P-C4' energy: -131.760
flat angles C4'-P-C4' energy: -133.203
flat angles P-C4'-P energy: -90.309
tors. eta vs tors. theta energy: -172.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1976.679321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.679321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.679321 (E_RNA)
where:
Base-Base interactions energy: -1356.910
where: short stacking energy: -568.708
Base-Backbone interact. energy: -2.684
local terms energy: -617.085088
where:
bonds (distance) C4'-P energy: -110.630
bonds (distance) P-C4' energy: -121.619
flat angles C4'-P-C4' energy: -130.414
flat angles P-C4'-P energy: -81.749
tors. eta vs tors. theta energy: -172.673
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: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1880.308265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.308265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.308265 (E_RNA)
where:
Base-Base interactions energy: -1289.811
where: short stacking energy: -566.060
Base-Backbone interact. energy: 0.083
local terms energy: -590.580134
where:
bonds (distance) C4'-P energy: -99.327
bonds (distance) P-C4' energy: -116.961
flat angles C4'-P-C4' energy: -131.241
flat angles P-C4'-P energy: -75.651
tors. eta vs tors. theta energy: -167.400
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1840.816902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.816902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.816902 (E_RNA)
where:
Base-Base interactions energy: -1260.640
where: short stacking energy: -514.138
Base-Backbone interact. energy: -1.907
local terms energy: -578.270375
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -116.770
flat angles C4'-P-C4' energy: -120.160
flat angles P-C4'-P energy: -87.510
tors. eta vs tors. theta energy: -138.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1646.237709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.237709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.237709 (E_RNA)
where:
Base-Base interactions energy: -1142.363
where: short stacking energy: -507.415
Base-Backbone interact. energy: -1.663
local terms energy: -502.211268
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -98.219
flat angles C4'-P-C4' energy: -109.854
flat angles P-C4'-P energy: -57.613
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: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1476.476581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.476581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.476581 (E_RNA)
where:
Base-Base interactions energy: -976.204
where: short stacking energy: -434.711
Base-Backbone interact. energy: 0.058
local terms energy: -500.330101
where:
bonds (distance) C4'-P energy: -101.418
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -63.736
tors. eta vs tors. theta energy: -120.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1316.727318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.727318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.727318 (E_RNA)
where:
Base-Base interactions energy: -877.942
where: short stacking energy: -402.576
Base-Backbone interact. energy: -2.746
local terms energy: -436.039265
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -89.524
flat angles C4'-P-C4' energy: -94.955
flat angles P-C4'-P energy: -60.695
tors. eta vs tors. theta energy: -91.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1274.317426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.317426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.317426 (E_RNA)
where:
Base-Base interactions energy: -848.716
where: short stacking energy: -365.195
Base-Backbone interact. energy: -4.466
local terms energy: -421.135175
where:
bonds (distance) C4'-P energy: -96.714
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -78.952
flat angles P-C4'-P energy: -56.960
tors. eta vs tors. theta energy: -81.003
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: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -914.151109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.151109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.151109 (E_RNA)
where:
Base-Base interactions energy: -503.571
where: short stacking energy: -239.239
Base-Backbone interact. energy: -0.701
local terms energy: -409.879438
where:
bonds (distance) C4'-P energy: -87.058
bonds (distance) P-C4' energy: -110.536
flat angles C4'-P-C4' energy: -101.596
flat angles P-C4'-P energy: -67.200
tors. eta vs tors. theta energy: -43.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -595.432070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.432070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.432070 (E_RNA)
where:
Base-Base interactions energy: -290.860
where: short stacking energy: -176.972
Base-Backbone interact. energy: -0.649
local terms energy: -303.922912
where:
bonds (distance) C4'-P energy: -103.266
bonds (distance) P-C4' energy: -80.451
flat angles C4'-P-C4' energy: -66.489
flat angles P-C4'-P energy: -49.933
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)